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UC.PT

Centro de Química de Coimbra

ISI Papers

2015

F. Fernandes, A. Coutinho, M. Prieto, L.M.S. Loura (2015). "Electrostatically driven lipid–protein interaction: Answers from FRET". Biochim. Biophys. Acta. In press (DOI: 10.1016/j.bbamem.2015.02.023).

A.M.T.M. do Canto, P.D. Santos, J. Martins, L.M.S. Loura (2015). "Behavior of pyrene as a polarity probe in palmitoylsphingomyelin and palmitoylsphingomyelin/cholesterol bilayers: A molecular dynamics simulation study". Colloids Surf. A Physicochem. Eng. Asp. In press (DOI: 10.1016/j.colsurfa.2014.12.012).

T.Q. Faria, Z.L. Almeida, P.C. Cruz, C.S.H. Jesus, P. Castanheira, R.M.M. Brito (2015). "A look into amyloid formation by transthyretin: aggregation pathway and a novel kinetic model". Phys. Chem. Chem. Phys. 17, pp. 7255-7263 (Epub 2015 Feb 4.).

I. Miranda-Santos, S. Gramacho, M. Pineiro, K. Martinez-Gomez, M. Fritz, K. Hollemeyer, A. Salvador, E. Heinzle (2015). "Mass isotopomer analysis of nucleosides isolated from RNA and DNA using GC-MS". Analytical Chemistry 87, pp. 617-623.

G. Goglio, G. Kaur, S.L.C. Pinho, N. Penin, A. Blandino, C.F.G.C. Geraldes, A. Garcia, M.H. Delville (2015). “Glycine Nitrate Process for the elaboration of Eu3+-doped Gd2O3 bimodal nanoparticles for biomedical applications”. Eur. J. Inorg. Chem., pp. 1243-1253.

André F. Martins, David Dias, Jean-François Morfin, Sara Lacerda, Douglas V. Laurents, Éva Tóth and Carlos F.G.C. Geraldes (2015) “Interaction of PiB-derivative Metal Complexes with Beta-Amyloid Peptide: Selective Recognition of the Aggregated Forms”. Chem. Eur. J. 21, 5413-5422.

2014

Agzenai Y, Lindman B, Alfredsson V, Topgaard D, Renamayor CS, Pacios IE. In Situ X-ray Polymerization: From Swollen Lamellae to Polymer-Surfactant Complexes. Journal of Physical Chemistry B. 2014;118:1159-67.

Almeida AR, Dias RD, Monteiro CJP, Abreu AR, Gois PMP, Carles Bayon J, et al. Rhodium-Catalysed Tandem Hydroformylation/Arylation Reaction with Boronic Acids. Advanced Synthesis & Catalysis. 2014;356:1223-8.

Araujo-Andrade C, Reva I, Fausto R. Tetrazole acetic acid: Tautomers, conformers, and isomerization. Journal of Chemical Physics. 2014;140.

Arnaut LG, Pereira MM, Dabrowski JM, Silva EFF, Schaberle FA, Abreu AR, et al. Photodynamic Therapy Efficacy Enhanced by Dynamics: The Role of Charge Transfer and Photostability in the Selection of Photosensitizers. Chemistry-a European Journal. 2014;20:5346-57.

Arrieta MP, Peltzer MA, Lopez J, del Carmen Garrigos M, Valente AJM, Jimenez A. Functional properties of sodium and calcium caseinate antimicrobial active films containing carvacrol. Journal of Food Engineering. 2014;121:94-101.

Bai G, Nunes SCC, Rocha MAA, Santos LMNBF, Eusebio MES, Moreno MJ, et al. Enthalpies of solution, limiting solubilities, and partial molar heat capacities of n-alcohols in water and in trehalose crowded media. Pure and Applied Chemistry. 2014;86:223-31.

Barros MCF, Ribeiro ACF, Esteso MA, Lobo VMM, Leaist DG. Diffusion of levodopa in aqueous solutions of hydrochloric acid at 25 degrees C. Journal of Chemical Thermodynamics. 2014;72:44-7.

Beltran A, Valente AJM, Jimenez A, Carmen Garrigos M. Characterization of Poly(e-caprolactone)-Based Nanocomposites Containing Hydroxytyrosol for Active Food Packaging. Journal of Agricultural and Food Chemistry. 2014;62:2244-52.

R. Benfeitas, G. Selvaggio, F. Antunes, P.M.B.M. Coelho, A. Salvador (2014). "Hydrogen peroxide metabolism and sensing in human erythrocytes: a validated kinetic model and reappraisal of the role of peroxiredoxin II". Free Radical Biology & Medicine 74, pp. 35-49.

Bossoni R, Riul A, Valente AJM, Rubira AF, Muniz EC. Release of Vitamin B-12 and Diclofenac Potassium from N,N-dimethylacrylamide-modified Arabic Gum Hydrogels - the Partition- Diffusion Model. Journal of the Brazilian Chemical Society. 2014;25:1124-34.

Calvete MJF, Simoes AVC, Henriques CA, Pinto SMA, Pereira MM. Tetrapyrrolic Macrocycles: Potentialities in Medical Imaging Technologies. Current Organic Synthesis. 2014;11:127-40.

Cardoso AL, Lemos A, Pinho e Melo TMVD. Selective Synthesis of Tetrasubstituted 4-(Tetrazol-5-yl)-1H-imidazoles from 2-(Tetrazol-5-yl)-2H-azirines. European Journal of Organic Chemistry. 2014:5159-65.

Carmen Moran M, Pilar Vinardell M, Rosa Infante M, Graca Miguel M, Lindman B. DNA gel particles: An overview. Advances in Colloid and Interface Science. 2014;205:240-56.

Carrilho RMB, Costa GN, Neves ACB, Pereira MM, Grabulosa A, Carles Bayon J, et al. Asymmetric Hydrovinylation and Hydrogenation with Metal Complexes of C-3-Symmetric Tris-Binaphthyl Monophosphites. European Journal of Inorganic Chemistry. 2014;2014:1034-41.

Costa D, Valente AJM, Graca Miguel M, Queiroz J. Plasmid DNA hydrogels for biomedical applications. Advances in Colloid and Interface Science. 2014;205:257-64.

Costa D, Valente AJM, Graca Miguel M, Queiroz J. Plasmid DNA microgels for drug/gene co-delivery: A promising approach for cancer therapy. Colloids and Surfaces a-Physicochemical and Engineering Aspects. 2014;442:181-90.

Costa T, Marques AT, Sergio Seixas de Melo J, Thomas AW, Garner LE, Scherf U, et al. Self-Assembly of Poly{1,4-phenylene- 9,9-bis(4-phenoxy-butylsulfonate) fluorene-2,7-diyl} with Oppositely Charged Phenylenevinylene Oligoelectrolytes. Journal of Physical Chemistry B. 2014;118:613-23.

Cuomo F, Ceglie A, Piludu M, Miguel MG, Lindman B, Lopez F. Loading and Protection of Hydrophilic Molecules into Liposome-Templated Polyelectrolyte Nanocapsules. Langmuir. 2014;30:7993-9.

Da Silva ES, Burrows HD, Wong-Wah-Chung P, Sarakha M. beta-Cyclodextrin as a photostabilizer of the plant growth regulator 2-(1-naphthyl) acetamide in aqueous solution. Journal of Inclusion Phenomena and Macrocyclic Chemistry. 2014;79:329-36.

Davies ML, Douglas P, Burrows HD, Martincigh B, Miguel MdG, Scherf U, et al. In Depth Analysis of the Quenching of Three Fluorene-Phenylene-Based Cationic Conjugated Polyelectrolytes by DNA and DNA Bases. Journal of Physical Chemistry B. 2014;118:460-9.

D.M. Dias, I.V. Molle, M.G.J. Baud, C. Galdeano, C.F.G.C. Geraldes, A. Ciulli (2014). “Is NMR fragment screening fine-tuned to assess ligandability of protein-protein interactions? Binding detection limits at the pVHL:HIF-1α interface”. ACS Med. Chem. Lett. 5, pp. 23-28.

G. Digilio, T. Tuccinardi, F. Casalini, C. Cassino, D.M. Dias, C.F.G.C. Geraldes, V. Catanzaro, A. Maiocchi, A. Rossello (2014). “Study of the binding interaction between fluorinated Matrix Metalloproteinase inhibitors and Human Serum Albumin”. Eur. J. Med. Chem. 79, pp. 13-23.

Duarte L, Fausto R, Reva I. Structural and spectroscopic characterization of E- and Z-isomers of azobenzene. Physical Chemistry Chemical Physics. 2014;16:16919-30.

Estronca LMBB, Filipe HAL, Salvador A, Moreno MJ, Vaz WLC. Homeostasis of free cholesterol in the blood: a preliminary evaluation and modeling of its passive transport. Journal of Lipid Research. 2014;55:1033-43.

Evora AOL, Castro RAE, Maria TMR, Silva MR, ter Horst JH, Canotilho J, et al. A thermodynamic based approach on the investigation of a diflunisal pharmaceutical co-crystal with improved intrinsic dissolution rate. International Journal of Pharmaceutics. 2014;466:68-75.

M.F. Ferreira, G. Pereira, P.M.T. Ferreira, J.P. André, M.I.M. Prata, J.A. Martins, C.F.G.C. Geraldes (2014). “Ga[(NO2A-N-(-amino)propionate)] chelates: synthesis and evaluation as potential tracers for 68Ga3+ PET”. Dalton Trans. 43, pp. 8037-8047.

M.F. Ferreira, G. Pereira, A.F. Martins, C.I.O. Martins, M.I.M. Prata, S. Petoud, E. Toth, P.M.T. Ferreira, J.A. Martins, C.F.G.C. Geraldes (2014). “Ln[DO3A-N--(pyrenebutyramido)propionate] complexes: optimized relaxivity and NIR optical properties”. Dalton Trans. 43, pp. 3162-3173

Filipe HAL, Moreno MJ, Rog T, Vattulainen I, Loura LMS. How To Tackle the Issues in Free Energy Simulations of Long Amphiphiles Interacting with Lipid Membranes: Convergence and Local Membrane Deformations. Journal of Physical Chemistry B. 2014;118:3572-81.

Filipe, H. A. L., A. Salvador, J. M. Silvestre, W. L. C. Vaz, and M. J. Moreno. 2014. Beyond Overton's Rule: Quantitative Modeling of Passive Permeation through Tight Cell Monolayers. Molecular Pharmaceutics 11, pp 3696-3706. DOI: 10.1021/mp500437e.

V. Francisco, A. Figueirinha, G. Costa, J. Liberal, M.C. Lopes, C. García-Rodríguez, C.F.G.C. Geraldes, M.T. Cruz, M.T. Batista (2014) “Chemical characterization and anti-inflammatory activity of luteolin glycosides isolated from lemongrass”. Journal of Functional Foods 10, pp 436-443.

Frias CF, Gramacho SA, Pineiro M. GAS CHROMATOGRAPHY-MASS SPECTROMETRY AND MICROWAVE-ASSISTED DERIVATIZATION FOR IDENTIFICATION OF GLUCOSE ISOMERS: EXPERIENCE FOR POST-GRADUATE TEACHING OF ANALYSIS AND CHARACTERIZATION OF ORGANIC COMPOUNDS. Quimica Nova. 2014;37:176-U234.

Frija LMT, Cristiano MLS, Gomez-Zavaglia A, Reva I, Fausto R. Genesis of rare molecules using light-induced reactions of matrix-isolated tetrazoles. Journal of Photochemistry and Photobiology C-Photochemistry Reviews. 2014;18:71-90.

Galvao BRL, Braga JP, Belchior JC, Varandas AJC. Electronic Quenching in N(D-2) + N-2 Collisions: A State-Specific Analysis via Surface Hopping Dynamics. Journal of Chemical Theory and Computation. 2014;10:1872-7.

Góis JR, Rocha N, Popov AV, Guliashvili T, Matyjaszewski K, Serra AC, Coelho JFJ. Synthesis of well-defined functionalized poly(2-(diisopropylamino)ethyl methacrylate) using ATRP with sodium dithionite as a SARA agent. Polymer Chemistry, 2014, 5, 3919-3928.

Góis JR, Konkolewic D, Popov AV, Guliashvili T, Matyjaszewski K, Serra AC, Coelho JFJ. Improvement of the control over SARA ATRP of 2-(diisopropylamino)ethyl methacrylate by slow and continuous addition of sodium dithionite. Polymer Chemistry, 2014, 5, 4617-4626.

Halasa A, Lapinski L, Reva I, Rostkowska H, Fausto R, Nowak MJ. Near-Infrared Laser-Induced Generation of Three Rare Conformers of Glycolic Acid. Journal of Physical Chemistry A. 2014;118:5626-35.

Jaimes MCB, Rominger F, Pereira MM, Carrilho RMB, Carabineiro SAC, Hashmi ASK. Highly active phosphite gold(I) catalysts for intramolecular hydroalkoxylation, enyne cyclization and furanyne cyclization. Chemical Communications. 2014;50:4937-40.

Jorge AF, Pereira RFP, Nunes SCC, Valente AJM, Dias RS, Pais AACC. Interpreting the Rich Behavior of Ternary DNA-PEI-Fe(III) Complexes. Biomacromolecules. 2014;15:478-91.

Jose Pelaez W, Julieta Pepino A, Alejandro Argueello G, Pinho e Melo TMVD. 1-Methyl-5-(trifluoromethyl) azafulvenium Methide, an Intermediate That Undergoes Reaction through " Unusual" cis-exo-1,3-and trans-exo-1,7-Cycloadditions. European Journal of Organic Chemistry. 2014;2014:2933-41.

Knaapila M, Costa T, Garamus VM, Kraft M, Drechsler M, Scherf U, et al. Conjugated Polyelectrolyte (CPE) Poly{3- 6-(N-methylimidazolium)hexyl -2,5-thiophene} Complexed with DNA: Relation between Colloidal Level Solution Structure and Chromic Effects. Macromolecules. 2014;47:4017-27.

Knaapila M, Fonseca SM, Stewart B, Torkkeli M, Perlich J, Pradhan S, et al. Nanostructuring of the conjugated polyelectrolyte poly 9,9-bis(4-sulfonylbutoxyphenyl) fluorene-2,7-diyl-2,2 '- bithiophene in liquid crystalline C12E4 in bulk water and aligned thin films. Soft Matter. 2014;10:3103-11.

Krupa J, Wierzejewska M, Nunes CM, Fausto R. UV-tunable laser induced phototransformations of matrix isolated anethole. Journal of Chemical Physics. 2014;140.

Krzykawska-Serda M, Dabrowski JM, Arnaut LG, Szczygiel M, Urbanska K, Stochel G, et al. The role of strong hypoxia in tumors after treatment in the outcome of bacteriochlorin-based photodynamic therapy. Free Radical Biology and Medicine. 2014;73:239-51.

Lapinski L, Reva I, Rostkowska H, Fausto R, Nowak MJ. Near-IR-Induced, UV-Induced, and Spontaneous Isomerizations in 5-Methylcytosine and 5-Fluorocytosine. Journal of Physical Chemistry B. 2014;118:2831-41.

Li J, Caridade PJSB, Varandas AJC. Quasiclassical Trajectory Study of the Atmospheric Reaction N(D-2) plus NO(X (2)Pi) -> O(D-1) + N-2(X (1)Sigma(+)(g)). Journal of Physical Chemistry A. 2014;118:1277-86.

Lopes AC, Cova TFGG, Pais AACC, Pereira JLGFSC, Colaco B, Cabrita AMS. Improving discrimination in the grading of rat mammary tumors using two-dimensional mapping of histopathological observations. Experimental and Toxicologic Pathology. 2014;66:73-80.

Lopes Jesus AJ, Almeida JAS, Pais AACC, Redinha JS. Molecular dynamics and quantum chemical approaches in the study of the hydration of protonated cyclohexyldiamines. Molecular Physics. 2014;112:173-81.

Lopes Jesus AJ, Redinha JS. Self-association of 1,2-cyclohexanediols: A spectroscopic and computational study. Journal of Molecular Structure. 2014;1067:104-11.

A.F. Martins, S.V. Eliseeva, H.F. Carvalho, J.M.C. Teixeira, C.T.B. Paula, P. Hermann, C. Platas-Iglesias, S. Petoud, E. Tóth, C.F.G.C. Geraldes (2014). “A bis(pyridine-N-oxide) analogue of DOTA: relaxometric properties of the GdIII complex and efficient sensitization of visible and NIR-emitting lanthanide(III) cations including PrIII and HoIII”. Chem. Eur. J. 20, pp. 14834-14845.

A.F. Martins, J.F. Morfin, C.F.G.C. Geraldes, E. Tóth (2014). “Gd3+ complexes conjugated to the Pittsburgh compound B: potential MRI markers of -amyloid plaques”. J. Biol. Inorg. Chem. 19, pp. 281-295.

Medronho B, Valente AJM, Costa P, Romano A. Inclusion complexes of rosmarinic acid and cyclodextrins: stoichiometry, association constants, and antioxidant potential. Colloid and Polymer Science. 2014;292:885-94.

Melia Rodrigo M, Valente AJM, Barros MCF, Verissimo LMP, Romero C, Esteso MA, et al. Mutual diffusion coefficients of L-lysine in aqueous solutions. Journal of Chemical Thermodynamics. 2014;74:227-30.

Melo AM, Loura LMS, Fernandes F, Villalain J, Prieto M, Coutinho A. Electrostatically driven lipid-lysozyme mixed fibers display a multilamellar structure without amyloid features (vol 10, pg 840, 2014). Soft Matter. 2014;10:6358-.

Mendes JP, Branco F, Abreu CMR, Mendonça PV, Popov AV, Guliashvili T, Serra AC, Coelho JFJ, Synergistic Effect of 1‑Butyl-3-methylimidazolium Hexafluorophosphate and DMSO in the SARA ATRP at Room Temperature Affording Very Fast Reactions and Polymers with Very Low Dispersit. American Chemical Society Macro Letters, 2014, 3, 544−547.

Mendes JP, Branco F, Abreu CMR, Mendonça PV, Popov AV, Guliashvili T, Serra AC, Coelho JFJ. Sulfolane: an Efficient and Universal Solvent for Copper-Mediated Atom Transfer Radical (co)Polymerization of Acrylates, Methacrylates, Styrene, and Vinyl Chloride. American Chemical Society Macro Letters, 2014, 3, 858−861.

Mendonça PV, Averick SE, Konkolewicz D, Serra AC, Popov AV, Guliashvili T, Matyjaszewski K, Coelho JFJ. Straightforward ARGET ATRP for the Synthesis of Primary Amine Polymethacrylate with Improved Chain-End Functionality under Mild Reaction Conditions. Macromolecules, 2014, 47, 4615–4621.

Mendonça PV, Serra AC, Popov AV, Guliashvili T, Coelho JFJ. Efficient RAFT polymerization of N-(3-aminopropyl)methacrylamide hydrochloride using unprotected ‘‘clickable’’ chain transfer agents. Reactive & Functional Polymers, 2014, 8, 1–7.

Monteiro S, A. Dias, Mendes AM, Mendes JP, Serra AC, Rocha N, Coelho JFJ, Magalhães FD. Stabilization of nano-TiO2aqueous dispersions with poly(ethyleneglycol)-b-poly(4-vinyl pyridine) block copolymer and their incorporation in photocatalytic acrylic varnishes. Progress in Organic Coatings, 2014, 77, 1741–1749.

Miranda U, Varandas AJC, Kaplan IG. On the ferryl catalyst: Electronic structure and optimized ab initio geometry. Chemical Physics Letters. 2014;595:175-9.

Mompeán M, Buratti E, Guarnaccia C, Brito RMM, Chakrabartty A, Baralle FE, Laurents DV. Structural characterization of the minimal segment of TDP-43 competent for aggregation. Archives of Biochemistry and Biophysics. 2014. 545: 53–62.

Nogueira BA, Ildiz GO, Canotilho J, Eusebio MES, Fausto R. Molecular Structure, Infrared Spectra, Photochemistry, and Thermal Properties of 1-Methylhydantoin. Journal of Physical Chemistry A. 2014;118:5994-6008.

Nunes CM, Araujo-Andrade C, Fausto R, Reva I. Generation and Characterization of a 4 pi-Electron Three-Membered Ring 1H-Diazirine: An Elusive Intermediate in Nitrile Imine-Carbodiimide Isomerization. Journal of Organic Chemistry. 2014;79:3641-6.

Oueslati I, Paixao JA, Rodrigues VH, Shkurenko A, Lesniewska B, Suwinska K, et al. Modulating the Self-Assembly of Calix 4 azacrowns to Design Materials with Improved Emission and Stimuli-Responsive Behavior. Journal of Physical Chemistry C. 2014;118:13118-25.

Pereira NAM, Lopes SMM, Lemos A, Pinho e Melo TMVD. On-Water Synthesis of Dipyrromethanes via Bis-Hetero-Diels-Alder Reaction of Azo- and Nitrosoalkenes with Pyrrole. Synlett. 2014;25:423-7.

Pereira NAM, Pinho e Melo TMVD. Recent Developments in the Synthesis of Dipyrromethanes. A Review. Organic Preparations and Procedures International. 2014;46:183-213.

Pereira RFP, Valente AJM, Burrows HD. The interaction of long chain sodium carboxylates and sodium dodecylsulfate with lead(II) ions in aqueous solutions. Journal of Colloid and Interface Science. 2014;414:66-72.

Pereira Silva PS, El Ouazzani H, Pranaitis M, Silva MR, Arranja CT, Sobral AJFN, et al. Experimental and theoretical studies of the second- and third-order NLO properties of a semi-organic compound: 6-Aminoquinolinium iodide monohydrate. Chemical Physics. 2014;428:67-74.

Pina J, Pinheiro D, Nascimento B, Pineiro M, Seixas de Melo JS. The effect of polyaromatic hydrocarbons on the spectral and photophysical properties of diaryl-pyrrole derivatives: an experimental and theoretical study. Physical chemistry chemical physics : PCCP. 2014;16:18319-26.

Pineiro M. Microwave-Assisted Synthesis and Reactivity of Porphyrins. Current Organic Synthesis. 2014;11:89-109.

Ramos M, Beltran A, Peltzer M, Valente AJM, Garrigos MdC. Release and antioxidant activity of carvacrol and thymol from polypropylene active packaging films. Lwt-Food Science and Technology. 2014;58:470-7.

Ribeiro ACF, Barros MCF, Verissimo LMP, Lobo VMM, Valente AJM. Binary Diffusion Coefficients for Aqueous Solutions of l-Aspartic Acid and Its Respective Monosodium Salt. Journal of Solution Chemistry. 2014;43:83-92.

Ribeiro ACF, Fabela I, Sobral AJFN, Verissimo LMP, Barros MCF, Melia Rodrigo M, et al. Diffusion of sodium alginate in aqueous solutions at T=298.15 K. Journal of Chemical Thermodynamics. 2014;74:263-8.

Ribeiro ACF, Rodrigo MM, Barros MCF, Verissimo LMP, Romero C, Valente AJM, et al. Mutual diffusion coefficients of L-glutamic acid and monosodium L-glutamate in aqueous solutions at T=298.15 K. Journal of Chemical Thermodynamics. 2014;74:133-7.

Rocha N, Rodrigues DP, Gaspar A, Durães L, Serra AC, Coelho JFJ. Novel nanoaggregates with peripheric superparamagnetic iron oxide nanoparticles and organic cores through self-assembly of tailor-made block copolymers. RSC Advances, 2014, 4, 24428–24432.

Rocha N, Mendes J, Durães L, Maleki H, Portugal A, Geraldes CFGC, Serra AC, Coelho J. Poly(ethylene glycol)-block-poly(4-vinyl pyridine) as a versatile block copolymer to prepare nanoaggregates of superparamagnetic iron oxide nanoparticles. Journal of Materials CHemistry B, 2014, 2, 1565-1575.

Saavedra R, Rocha LB, Dabrowski JM, Arnaut LG. Modulation of Biodistribution, Pharmacokinetics, and Photosensitivity with the Delivery Vehicle of a Bacteriochlorin Photosensitizer for Photodynamic Therapy. Chemmedchem. 2014;9:390-8.

Sahoo T, Ghosh S, Adhikari S, Sharma R, Varandas AJC. Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State(1(1)A ') D+ + H-2 Reaction. Journal of Physical Chemistry A. 2014;118:4837-50.

Salvador JAR, Santos RC, Figueiredo SAC, Jing Y. Antitumor effects of celastrol and semi-synthetic derivatives. Mini Review in Organic Chemistry, 2014, 11, 400-407.

Santos BS, Gomes CSB, Pinho e Melo TMVD. Synthesis of chiral spiropyrazoline-beta-lactams and spirocyclopropyl-beta-lactams from 6-alkylidenepenicillanates. Tetrahedron. 2014;70:3812-21.

Santos K, Laranjo M, Abrantes AM, Brito AF, Goncalves C, Sarmento Ribeiro AB, et al. Targeting triple-negative breast cancer cells with 6,7-bis(hydroxymethyl)-1H,3H-pyrrolo 1,2-c thiazoles. European Journal of Medicinal Chemistry. 2014;79:273-81.

Santos PM, Laranjo M, Serra AC, Abrantes AM, Pineiro M, Casalta-Lopes J, et al. The synthesis of C-14-labeled, (CD2)-C-13-labeled saxagliptin, and its (CD2)-C-13-labeled 5-hydroxy metabolite. Journal of Labelled Compounds & Radiopharmaceuticals. 2014;57:141-7.

Siegel G, Ermilov E, Pries AR, Winkler K, Schmidt A, Ringstad L, et al. The significance of lipid peroxidation in cardiovascular disease. Colloids and Surfaces a-Physicochemical and Engineering Aspects. 2014;442:173-80.

Silva M, Fernandes A, Bebiano SS, Calvete MJF, Filipa Ribeiro M, Burrows HD, et al. Size and ability do matter! Influence of acidity and pore size on the synthesis of hindered halogenated meso-phenyl porphyrins catalysed by porous solid oxides. Chemical Communications. 2014;50:6571-3.

Simoes SMN, Veiga F, Ribeiro ACF, Figueiras AR, Taboada P, Concheiro A, et al. Supramolecular gels of poly-alpha-cyclodextrin and PEO-based copolymers for controlled drug release. European Journal of Pharmaceutics and Biopharmaceutics. 2014;87:579-88.

Simoes SMN, Veiga F, Torres-Labandeira JJ, Ribeiro ACF, Concheiro A, Alvarez-Lorenzo C. Syringeable Self-Assembled Cyclodextrin Gels for Drug Delivery. Current Topics in Medicinal Chemistry. 2014;14:494-509.

Soares MIL, Pinho e Melo TMVD. Microwave-induced Pericyclic Reactions of Aza- and Diazafulvenium Methides, Current Microwave Chemistry, 2014, 1, 22-3.

Sousa MC, Varandas R, Santos RC; Santos-Rosa M, Alves V, Salvador JAR. Antileishmanial Acivity of Semisynthetic Lupane Triterpenoids, Betulin, and Betulinic Acid Derivatives: Synergistic Effects with Miltefosine, PLOS ONE, 2014, 9, e89939.

Suarez-Germa C, Hernandez-Borrell J, Prieto M, Loura LMS. Modeling FRET to investigate the selectivity of lactose permease of Escherichia coli for lipids. Molecular Membrane Biology. 2014;31:120-30.

Teixeira OBM, Mota VC, Garcia de la Vega JM, Varandas AJC. Single-Sheeted Double Many-Body Expansion Potential Energy Surface for Ground-State ClO2. Journal of Physical Chemistry A. 2014;118:4851-62.

Teixeira RS, Veiga FJB, Oliveira RS, Jones SA, Silva SMC, Carvalho RA, et al. Effect of Cyclodextrins and pH on the permeation of tetracaine: Supramolecular assemblies and release behavior. International Journal of Pharmaceutics. 2014;466:349-58.

Valente AJM, Filho CMC, Rubira A, Muniz EC, Burrows HD. Transport properties of ephedrine hydrochloride through poly(vinyl alcohol) matrices-a simple method for enantiomeric differentiation. Colloid and Polymer Science. 2014;292:1665-73.

Valente AJM, Lopez Cascales JJ, Fernandez Romero AJ. Thermodynamic analysis of unimer-micelle and sphere-to-rod micellar transitions of aqueous solutions of sodium dodecylbenzenesulfonate. Journal of Chemical Thermodynamics. 2014;77:54-62.

Valente AJM, Soderman O. The formation of host-guest complexes between surfactants and cyclodextrins. Advances in Colloid and Interface Science. 2014;205:156-76.

Varandas AJC. Is HO3- multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion. Physical Chemistry Chemical Physics. 2014;16:16997-7007.

Varandas AJC. On carbon dioxide capture: An accurate ab initio study of the Li3N + CO2 insertion reaction. Computational and Theoretical Chemistry. 2014;1036:61-71.

Verissimo LMP, Ribeiro VCM, Ribeiro ACF, Rodrigo MM, Esteso MA. Influence of lactose on the diffusion of calcium ions at physiological temperature. Food Chemistry. 2014;163:284-8.

Verissimo LMP, Valada TIC, Sobral AJFN, Azevedo EEFG, Azevedo MLG, Ribeiro ACF. Mutual diffusion of sodium hyaluranate in aqueous solutions. Journal of Chemical Thermodynamics. 2014;71:14-8.

Viegas LP, Varandas AJC. Coupled-Cluster Reaction Barriers of HO2+H2O+O-3: An Application of the Coupled-Cluster//Kohn-Sham Density Functional Theory Model Chemistry. Journal of Computational Chemistry. 2014;35:507-17.

Vilela C, Sousa AF, Fonseca AC, Serra AC, Coelho JFJ, Freire CSR, Silvestre AJD. The quest for sustainable polyesters – insights into the future. Polymer Chemistry, 2014, 5, 3119-3141.

Wennerstrom H, Lindman B. Kozo Shinoda died on April 15th at the age of 87 years In Memoriam. Journal of Colloid and Interface Science. 2014;429:88-.

Wentrup C, Nunes CM, Reva I. Comment on "Computational Study on the Vinyl Azide Decomposition". Journal of Physical Chemistry A. 2014;118:5122-3.

Zanvettor CMA, Marques JMC. On the lowest-energy structure of binary Zn-Cd nanoparticles: Size and composition. Chemical Physics Letters. 2014;608:373-9.

Zhang L, Luo P, Guo K, Zeng R, Caridade PJSB, Varandas AJC. Theoretical investigation of vibrational relaxation of highly excited O-3 in collisions with HO2. Rsc Advances. 2014;4:9866-74.



2013

A. R. Abreu, A. F. Peixoto, A. R. Almeida, M. Lourenço, Â. C. B. Neves, J. C. Bayón, M. M. Pereira, Synthesis of Chiral Bis-MOP-type Diphosphines. Chelating Effect in Nickel-catalyzed Phosphination, Chem. Lett., 42 (2013) 37-39.

Carlos M. R. Abreu, Arménio C. Serra, Anatoliy V. Popov, Krzysztof Matyjaszewski, Tamaz Guliashvili and Jorge F. J. Coelho, Ambient temperature rapid SARA ATRP of acrylates and methacrylates in alcohol–water solutions mediated by a mixed sulfite/Cu(II)Br2 catalytic system, Polymer Chemistry, 2013, 4, 5629-5636.

Adhikari, S; Varandas, AJC, The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates, Computer Physics Communications, 2013, 184, 270-283.

Adérito J. R. Amaral , Jorge F. J. Coelho , Arménio C. Serra, “Synthesis of bifunctional cyclic carbonates from CO2 catalysed by choline-based systems”, Tetrahedron Letters, 2013, 5518–5522.

P. Alves, A.A. Hugho, E. E. Tymczyszyn, R. Fausto, P. F. Pérez, J.F. Coelho, P.N.N.L. Simões, A. Gómez-Zavaglia,“Effect of Cholesterol-PDMAEMA on the Formulation of Stimuli Sensitive Polymer Liposome Complexes”, Colloids and Surfaces B: Biointerfaces, 104 (2013) 254.

R. Amaral, Pereira, A.A.C.C. Pais, Alberto, L.M.A. Santos, Is axenicity crucial to cryopreserve microalgae?, Cryobiology, 2013, 67 (3), 312-320.

L. G. Arnaut, S. J. Formosinho, “From Elementary Reactions to Chemical Relevance in the Photodynamic Therapy of Cancer”, Pure Appl. Chem., 2013, 85, 1389-1403.

M.C.F. Barros, A.C.F. Ribeiro, A.J.M. Valente, V.M.M. Lobo, A.M.T.D.P.V. Cabral, F.J.B. Veiga, C. Teijeiro, M.A. Esteso, Mass transport techniques as a tool for a better understanding of the structure of L-Dopa in aqueous solutions, International Journal of Pharmaceutics 2013, 447, 293-297.

A. Borba, A. Gómez-Zavaglia, R. Fausto,“Conformational Landscape, Photochemistry and Infrared Spectra of Sulfanilamide”, J. Phys. Chem. A, 2013, 117, 704.

H. D. Burrows, A.J. M.Valente. J. S. Seixas de Melo. Special issue of Pure and Applied Chemistry, XXIV IUPAC Symposium on Photochemistry ( Coimbra, Portugal, 15-20 July 2012); Preface, Pure and Applied Chemistry 2013, 85, iv-iv.

C. Cabezas, A. Simão, C. Bermúdez, M. Varela, I. Peña, S. Mata, R. Fausto, J. L. Alonso, “Conformational Analysis of Octopamine and Synephrine in the Gas Phase”, J. Phys. Chem. A, 117 (2013) 4907.

M. J. F. Calvete, M. Silva, M. Pereira, H. D. Burrows,Inorganic helping Organic: Recent Advances in Catalytic Heterogeneous Oxidations by Immobilised Tetrapyrrolic Macrocycles in Micro and Mesoporous Supports, RSC Advances, 2013, 3, 22774-22789.

Caridade, PJSB; Horta, JZJ; Varandas, AJC, Implications of the O+OH reaction in hydroxyl nightglow modeling. Atmospheric Chemistry and Physics, 2013, 13, 1-13.

Carvalho F, Duarte J, Simões AR, Cruz PF, Jones JG. Noninvasive Measurement of Murine Hepatic Acetyl-CoA 13C-Enrichment Following Overnight Feeding with 13C-Enriched Fructose and Glucose, BioMed Research International. 2013. Vol. 2013, Article ID 638085, 7 pages.

J. Casado, V. Hernández, J. T. López Navarrete, M. Algarra, D. A. da Silva Filho, S. Yamaguchi, R. Rondão, J. S. Seixas de Melo, V. Navarro-Fuster, P. G. Boj, M. A. Díaz García, “Amplified Spontaneous Emission in Pentathienoacene Dioxides by Direct Optical Pump and by Energy Transfer: Correlation with Photophysical Parameters” Advanced Optical Materials, 2013, 1: 588–599.

Rosemeyre A. Cordeiro, Nuno Rocha, Joana P. Mendes, Krzysztof Matyjaszewski, Tamaz Guliashvili, Arménio C. Serra and Jorge F. J. Coelho, “Synthesis of well- defined poly(2-(dimethylamino)ethyl methacrylate) under mild conditions and its co- polymers with cholesterol and PEG using Fe(0)/Cu(II) based SARA ATRP”, Polym. Chem., 2013, 4, 3088-3097. 

T. Costa, L. E. Garner, M. Knaapila, A. W. Thomas, S. E. Rogers, G. C. Bazan, H. D. Burrows,Aggregation properties of p-phenylene vinylene based conjugated oligoelectrolytes with surfactants, Langmuir, 2013, 29, 10047-10058.

T. Costa, R. E. Di Paolo, L. E. Garner, A. W. Thomas, J. A. S. Almeida, L. L.G. Justino, A. L. Maçanita, G. C. Bazan, H. D. Burrows,Separating Solvent and Conformational Effects on the Photophysics of a Homologous Progression of N Terminated Phenylenevinylene Oligomers, J. Phys. Chem. C, 2013, 117, 18353-18366.

L. I. L. Cabral, Teresa M. R. Maria, L. Martelo, M. Ermelinda S. Eusébio, M. L. S. Cristiano, R. Fausto, The thermal sigmatropic isomerization of pseudosaccharyl crotyl ether, Tetrahedron, 69 (2013) 810-815. 

Ana Lúcia Cardoso, Lourdes Gimeno, Américo Lemos, Francisco Palacios, Teresa M. V. D. Pinho e Melo, The Neber Approach to 2-(Tetrazol-5-yl)-2H-Azirines, J. Org. Chem. 2013, 78, 6983-6991.  

R. M. B. Carrilho, M. M. Pereira, M. J. S. M. Moreno, Attila Takács, László Kollár, A new facile synthesis of steroid dimers containing 17,17’-dicarboxamide spacers, Tetrahedron Lett., 54 (2013) 2763-2765.

T. F. G. G. Cova, A. A. C. C. Pais, S. J. Formosinho, Iberian universities: a characterisation from ESI rankings, Scientometrics, 2013, 94(3), 1239-1251. 

T. F. G. G. Cova, J. L. G. F. S. C. Pereira, A.A.C.C.; Pais, Is standard multivariate analysis sufficient in clinical and epidemiological studies? Journal of Biomedical Informatics, 2013, 46(1), 75-86.  

E.S. Da Silva, P.l Wong-Wah-Chung, H.D. Burrows, M. Sarakha, Photochemical Degradation of the Plant Growth Regulator 2-(1-Naphthyl) acetamide in Aqueous Solution Upon UV Irradiation, Photochem.Photobiol., 2013, 89, 560-570.

E. S. Da Silva, P. Wong-Wah-Chung, M. Sarakha, H.D. BurrowsPhotophysical characterisation of the plant growth regulator 2-(1-Naphthyl) acetamide, J. Photochem. Photobiol. A: Chemistry, 2013, 265, 29-40.

de Sá, A., C.S. Bonnet, C.F.G.C. Geraldes, É. Tóth, P.M.T. Ferreira, J.P. André. “Thermodynamic stability and relaxation studies of small, triaza-macrocylic Mn(II) chelates”. Dalton Trans., 2013, 42, 4522-4532. 

Dias, D.M., J.P.G.L.M. Rodrigues, N.S. Domingues, A.M.J.J. Bonvin, M.M.C.A. Castro. “Unveiling the Interaction of Vanadium Compounds with Human Serum Albumin by Using 1H STD NMR and Computational Docking Studies” Eur. J. Inorg. Chem., 2013, 4619-4627. 

do Canto, A.M.T.M., A.J. P. Carvalho, J.P.P. Ramalho, L.M.S. Loura. “Effect of amphipathic HIV fusion inhibitor peptides on POPC and POPC/cholesterol membrane properties: a molecular simulation study”. Int. J. Mol. Sci. 2013, 14, 14724-14743. 

L. Duarte, I. Reva, M. L. Cristiano, R. Fausto,“Photoisomerization of Saccharin”, J. Org. Chem., 2013, 78, 3271.

L. Duarte, B.M. Giuliano, I. Reva, R. Fausto, “Tautomers and UV-Induced Photoisomerization of a Strongly Intramolecularly H-Bonded Aromatic Azo-Dye: 1- (Cyclopropyl)diazo-2-Naphthol”, J. Phys. Chem. A, 117 (2013) 10671.

J. Fernandez-Lodeiro, C. Nuñez, C. S. de Castro, E. Bertolo, J. S. Seixas de Melo, J. L. Capelo, C. Lodeiro, “Steady-State and Time-Resolved Investigations on Pyrene Based Chemosensors” Inorg. Chem., 2013, 52, 121−129.

Ferreira, M.F., A.F. Martins, C.I.O. Martins, É. Tóth, T.B. Rodrigues, D. Calle, S. Cerdan, P. López-Larrubia, J.A. Martins, C.F.G.C. Geraldes. “Amide conjugates of the DO3A-N-(a-amino)propionate ligand: leads for stable, high relaxivity Contrast Agents for MRI?”. Contrast Media Mol. Imaging, 8, 40-49 (2013).

Ferreira, T.M., F. Coreta-Gomes, O.H.S. Ollila, M.J. Moreno, W.L.C. Vaz, and D. Topgaard. “Cholesterol and POPC segmental order parameters in lipid membranes: solid state 1H-13C NMR and MD simulation studies”. Phys. Chem. Chem. Phys. 15:1976-1989 (2013).

Figueiredo, S., J.C. Cutrin, S. Rizzitelli, E. De Luca, J.N. Moreira, C.F.G.C. Geraldes, S. Aime, E. Terreno. “MRI Tracking of Macrophages using Glucan Particles Entrapping a Paramagnetic Agent”. Molecular Imaging and Biology, 15, 307-315 (2013).

Figueiredo A, Coimbra P, Cabrita A, Guerra F, Figueiredo M. Comparison of a xenogeneic and an alloplastic material used in dental implants in terms of physic chemical characteristics and in vivo inflammatory response. Materials Science and Engineering C. 2013, 33(6):3506-3513.

H. A. Filipe, F. M. Coreta-Gomes, A. Velazquez-Campoy, A. R. Almeida, A. F. Peixoto, M. M. Pereira, W. L. Vaz, M. J. Moreno,Synthesis and characterization of a lipidic alfa amino acid: solubility and interaction with serum albumin and lipidic bilayers, J. Phys. Chem. B, 117 (2013) 3439-3448.

S.M. Fonseca, R.P. Galvão, H.D. Burrows, A. Gutacker, U. Scherf, G.C. Bazan, Selective fluorescence quenching in cationic fluorene-thiophene diblock copolymers for ratiometric sensing of anions, Macromol. Rapid Comm. 2013, 34, 717-722.

Ana C. Fonseca, Arménio C. Serra, Jorge F.J. Coelho, Maria H. Gil, Pedro N. Simões, “Novel poly(ester amide)s from glycine and L-lactic acid by an easy and cost-effective synthesis”, Polymer Int., 2013, 62, 736-743.

Fonseca, C.P., L.P. Montezinho, M.M. C.A. Castro, L.L. Fonseca, P.M. Alves, H. Santos, C.F.G.C. Geraldes. “23Na Multiple Quantum Filtered NMR Characterization of Na+ Binding and Dynamics in Animal Cells – a Comparative Study and Effect of Na+/Li+ Competition” Eur. Biophys. J., 42, 503-519 (2013). 

Fonseca, C.P., L.P. Montezinho, M.M. C.A. Castro, L.L. Fonseca, P.M. Alves, H. Santos, C.F.G.C. Geraldes. “23Na Multiple Quantum Filtered NMR Characterization of Na+ Binding and Dynamics in Animal Cells – a Comparative Study and Effect of Na+/Li+ Competition” Eur. Biophys. J., 42, 503-519 (2013). 

Galvao, BRL; Varandas, AJC; Braga, JP; Belchior, JC, Electronic Quenching of N(D-2) by N-2: Theoretical Predictions, Comparison with Experimental Rate Constants, and Impact on Atmospheric Modeling, Journal of Physical Chemistry Letters, 2013, 4, 2292-2297.

Galvao, BRL; Varandas, AJC; Braga, JP; Belchior, JC, Vibrational energy transfer in N(D-2) + N-2 collisions: A quasiclassical trajectory study. Chemical Physics Letters, 2013, 577, 27-31.

Galvao, BRL; Varandas, AJC. Accurate Study of the Two Lowest Singlet States of HN3: Stationary Structures and Energetics at the MRCI Complete Basis Set Limit, Journal of Physical Chemistry A, 2013, 117, 4044-4050.

V. García, A. Aldrey, C. S. De Castro, R. Bastida, A. Macías, C. Lodeiro, J. S. Seixas de Melo, C. Núñez, “The first substituted macrocyclic ligand Py2N4S2 containing four naphthylmethylene pendant-armed groups: synthesis and photophysical properties” Inorg. Chem. Comm. 2013, 36, 22-26.

B.M. Giuliano, S. Melandri, I. Reva, R. Fausto, “Conformational Space and Photochemistry of Tyramine Isolated in Argon and Xenon Cryomatrices”, J. Phys. Chem. A, 117 (2013) 10248. 

Gonçalves, C., Y. Lalatonne, L. Melro, G. Badino, M.F.M. Ferreira, L. David, C.F.G.C. Geraldes, L. Motte, J.A. Martins, F.M. Gama. “New dextrin nanomagnetogels as contrast agents for Magnetic Resonance Imaging”. J. Mater. Chem. B, 1, 5853-5864 (2013).

Gonçalves, G. , I. Tomaz, I. Correia, L.F. Veiros, M.M.C.A. Castro, F. Avecilla, L. Palacio, M. Maestro, T. Kiss, T. Jakusch, M.H.V. Garcia, J.C. Pessoa. “A novel VIVO pyrimidinone complex: synthesis, solution speciation and human serum protein binding” Dalton Transactions, 2013, 42, 11841-11861.

G.O. Ildiz, C.M. Nunes, R. Fausto,“Matrix Isolation Infrared Spectrum and Photochemistry of Hydantoin”, J. Phys. Chem. A, 2013, 117, 726. 

Inacio, A.S., G.N. Costa, N.S. Domingues, M.S. Santos, A.J.M. Moreno, W.L.C. Vaz, O.V. Vieira. “Mitochondrial Dysfunction Is the Focus of Quaternary Ammonium Surfactant Toxicity to Mammalian Epithelial Cells”. Antimicrobial Agents and Chemotherapy 57:2631-2639 (2013)

A. Ismael, A. Gómez-Zavaglia, A. Borba, M. L. Cristiano, R. Fausto “Amino→Imino Tautomerization upon in Vacuo Sublimation of 2-Methyltetrazole-Saccharinate as Probed by Matrix Isolation Infrared Spectroscopy”, J. Phys. Chem. A, 2013, 117, 3190. 

A. Ismael, C. Serpa, M.L.S. Cristiano, “Photochemistry of 1-allyl-4-aryltetrazolones in solution; structural effects on photoproduct selectivity” Photochem. Photobiol. Sci., 12 (2013) 272-283.

A.F. Jorge, M. Carmen Moran, M. Pilar Vinardell, J. C. Pereira, R.S. Dias, A.A.C.C. Pais, Ternary complexes DNA-polyethylenimine- Fe(III) with linear and branched polycations: implications on condensation, size, charge and in vitro biocompatibility, Soft Matter, 2013, 9 (45), 10799-10810.

L.L.G. Justino, M.L. Ramos, P.E. Abreu, A. Charas, J. Morgado, U. Scherf, B.F. Minaev, H. Ågren, H.D. Burrows, “Structural and Electronic Properties of Poly(9,9 dialkylfluorene) Based Alternating Copolymers in Solution: an NMR Spectroscopy and Density Functional Theory Study”, J. Phys. Chem. C, 117, 17969−17982 (2013).

A. Kaczor, I. Reva, R. Fausto, “Influence of Cage Confinement on the Photochemistry of Matrix Isolated E-b-ionone: FT-IR and DFT Study, J. Phys. Chem. A, 117 (2013) 888.

K. Kogej, S. M. Fonseca, J. Rovisco, M. E. Azenha, M. L. Ramos, J. Seixas de Melo, H. D. Burrows, “Understanding the interaction between trivalent lanthanide ions and stereoregular polymethacrylates through luminescence, binding isotherms, NMR and interaction with cetylpyridinium chloride”, Langmuir, 29, 14429−14437 (2013).

N. Kuş, A. Sharma, I. Peña, M. C. Bermudez, C. Cabezas, J. L. Alonso, R. Fausto,“Conformers of b-Aminoisobutyric Acid Probed by Jet-Cooled Microwave and Matrix Isolation Infrared Spectroscopic Techniques”, J. Chem. Phys, 138 (2013)144305.

N. Kuş, S.H. Bayarı,R. Fausto, “Methylparaben Isolated in Solid Argon: Structural Characterization and UV-Induced Conversion into Methylparaben Radical and Isomeric Ketenes”, J. Phys. Chem. B, 117 (2013) 13543.

Fernanda M. Ribeiro Laia, Clara S. B. Gomes, Teresa M. V. D. Pinho e Melo, Reactivity of Sarcosine and 1,3-Thiazolidine-4-carboxylic Acid Towards Salicylaldehyde-derived Alkynes and Allenes, Tetrahedron 2013, 69, 10081-10090.

L. Lapinski, I. Reva, H. Rostkowska, R. Fausto, M. J. Nowak,“Conformational Transformation in Squaric Acid Induced by Near-IR Laser Light, J. Phys. Chem A, 117 (2013) 5251. 

M. Laranjo, A.C. Serra, M. Abrantes, M. Piñeiro, A.C. Gonçalves, J. Casalta-Lopes, L. Carvalho, A.B. Sarmento-Ribeiro, A.M. d’A. RochaGonsalves, F. Botelho, “2-Bromo-3-hydroxyphenylporphyrins for photodynamic therapy: Photosensitization efficiency, subcellular localization and in vivo studies”, Photodiagnosis and Photodynamic Therapy, 2013, 10, 51-61.

Laupheimer, M; Jovic, K; Antunes, FE; Miguel, MDM; Stubenrauch, C, Studying orthogonal self-assembled systems: phase behaviour and rheology of gelled microemulsions. Soft Matter, 2013, 9, 3661-3670.

I. Leitão, J. Seixas de Melo, "Maya Blue, an Ancient Guest-Host Pigment: Synthesis And Models" J. Chem. Ed., 2013, 90 (11), 1493–1497.

Leitão, H.S., S. Doblas, G. d’Assignies, P. Garteiser, J.-L. Daire, V. Paradis, C.F.G.C. Geraldes, V. Vilgrain, B.E. Van Beers. “Fat deposition decreases diffusion parameters at MRI: a study in phantoms and patients with liver steatosis”. European Radiology, 23, 461-467 (2013). 

Leitão, H.S, C. Paulino, D. Rodrigues, S.I Gonçalves, C. Marques, M. Carvalheiro, C. F.G.C. Geraldes, F. Caseiro-Alves. “MR fat fraction mapping: a simple biomarker for liver steatosis quantification in nonalcoholic fatty liver disease patients”. Acad. Radiol., 20, 957-961 (2013).

J.L. Llanio-Trujillo, J.M.C. Marques, F.B. Pereira, New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: water versus methanol , Comput. Theoret. Chem. 1021, 124-134 (2013). 

A.C Lopes, T. F Cova, A. C. Pais, J. C Pereira, B. Colaço, A. M Cabrita, Improving discrimination in the grading of rat mammary tumours using low-dimensional mapping of histopathological observations, Experimental and Toxicologic Pathology, 66 (1), 73-80, 2013.

Lopes AC, Cova T, Pais A, Pereira J, Colaco B, Cabrita A.Improving discrimination in the grading of rat mammary tumours using low-dimensional mapping of histopathological observations, and advanced modeling techniques. European Journal of Cancer. 2013, 49(s2):S99-S100.

A.J. Lopes Jesus, J.S. Redinha, Molecular insight into the amine–water interaction: A combined vibrational, energetic and NBO/NEDA study, Computational and Theoretical Chemistry, 1023 (2013) 74–82.  

Loura, L.M.S., A.M.T. Martins Do Canto, J. Martins. “Sensing hydration and behavior of pyrene in POPC and POPC/cholesterol bilayers: A molecular dynamics study”. BBA Biomembranes 1828, 1094-1101 (2013).

Machado, AHE; Lundberg, D; Ribeiro, AJ; Veiga, FJ; Miguel, MG; Lindman, B; Olsson, U, Encapsulation of DNA in Macroscopic and Nanosized Calcium Alginate Gel Particles. Langmuir, 2013, 29, 15926-15935.

T.M.R. Maria, R.A.E. Castro, M. Ramos Silva, M. L. Ramos, L.L.G. Justino, H.D. Burrows, J. Canotilho, M.E.S. Eusébio, “Polymorphism and melt recrystallisation of racemic betaxolol, a beta-adrenergic antagonist drug”, J. Therm. Anal. Calorim., 111, 2171-2178 (2013).

J.M.C. Marques, J.L. Llanio-Trujillo, M. Albertí, A. Aguilar, F. Pirani, Microsolvation of the potassium-ion with aromatic rings: comparison between hexafluorobenzene and benzene, J. Phys. Chem. A 117, 8043-8053 (2013).

J.M.C. Marques, F.B. Pereira, A detailed investigation on the global minimum structures of mixed rare-gas clusters: geometry, energetics and site occupancy, J. Comput. Chem. 34, 505-517 (2013).

P. Martín-Ramos, M. D. Miranda, M. Ramos Silva, M. Ermelinda S. Eusébio, V. Lavín, J. Martín-Gil, A new near-IR luminescent terbium(III) complex with potential application in OLED devices, Polyhedron, 65 (2013) 187-192.

J. P. Martins, P. Martin-Ramos, A. J. F. N. Sobral, M. R. Silva, “4,7-Diphenyl-1,10- phenanthroline methanol hemisolvate”, Acta Cryst. E69, o1018, (2013).

J. P. Martins, C. C. Arranja, A. J. F. N. Sobral, M. R. Silva, “Poly[μ2-aqua-μ4-[1-(4- chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium]”,Acta Cryst. E69, m422– m423, (2013).

Martins, A.F., J.-F. Morfin, A. Kubíčková, V. Kubíček, F. Buron, F. Suzenet, M. Salerno, A.N. Lazar, C. Duyckaerts, N. Arlicot, D. Guilloteau, C.F.G.C. Geraldes, É. Tóth. “PiB-conjugated, metal-based imaging probes: multimodal approaches for the diagnostics of beta-amyloid plaques”. ACS Med. Chem. Lett., 4, 436-440 (2013).

Martins, A.F., M.I.M. Prata, S.P.J. Rodrigues, C.F.G.C. Geraldes, P.J. Riss, A.A. Coarasa, C. Burchardt, C. Kroll, F. Roesch. “Spectroscopic, radiochemical, and theoretical studies of the Ga3+-N-2-hydroxyethyl piperazine-N’-2-ethanesulfonic acid (HEPES buffer) system: Evidence for the formation of Ga3+- HEPES complexes in 68Ga labeling reactions”. Contrast Media Mol. Imaging, 8, 265-273 (2013).

B. Medronho, R. Andrade, V. Vivod, A. Ostlund, M.G. Miguel, B. Lindman, B. Voncina, A.J.M. Valente, Cyclodextrin-grafted cellulose: physico-chemical characterization, Carbohydrate Polymers 2013, 93, 324-330.

Mendonça, A.C., A.F. Martins, A. Melchior, S.M. Marques, S. Chaves, S. Villette, S. Petoud, P.L. Zanonato, M. Tolazzi, C.S. Bonnet, É. Tóth, P.D. Bernardo, C.F.G.C. Geraldes, M.A. Santos. “New Tris-3,4-HOPO lanthanide complexes as potential imaging probes: complex stability and magnetic properties”. Dalton Trans., 42, 6046–6057 (2013).

Patrícia V. Mendonça, Arménio C. Serra, Cláudia L. Silva, Sérgio Simões, Jorge F.J. Coelho, “Polymeric bile acid sequestrants—Synthesis using conventional methods and new approaches based on “controlled”/living radical polymerization”, Prog. Polym. Sci., 2013, 38, 445-461.

Meng, QT; Varandas, AJC. Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF, Chinese Physics B, 2013, 22, Article Number: 073303.

Mondal, T; Varandas, AJC, Silane Radical Cation: A Theoretical Account on the Jahn Teller Effect at a Triple Degeneracy. Journal of Physical Chemistry A, 2013, 117, 8794-8805.

Moran, MC; Nogueira, DR; Vinardell, MP; Miguel, MG; Lindman, B, Mixed protein DNA gel particles for DNA delivery: Role of protein composition and preparation method on biocompatibility. International Journal of Pharmaceutics, 2013, 454 , 192-203.

S.A.Mousa, P. Douglas, H.D. Burrows, S.M. Fonseca,Fluorescence Quenching of Protonated β-carbolines in Water and Microemulsions: Evidence for Heavy-Atom and Electron-Transfer Mechanisms, Photochem.Photobiol.Sci. 2013, 12, 1606-1614.

S.C.C. Nunes, T.F.G.G. Cova, A.A.C.C. Pais, A new perspective on correlated polyelectrolyte adsorption: Positioning, conformation, and patterns, Journal of Chemical Physics, 2013, 139(5), 054906.

S.C.C. Nunes, P. Pinto, A.A.C.C. Pais, Nonrandom adsorption of polyelectrolyte chains on finite regularly charged surfaces, Journal of Computational Chemistry, 2013, 34 (14), 1198-1209.

S.C.C. Nunes, J.A.S. Almeida, R.S. Dias, A.A.C.C. Pais, The role of excluded volume and electrostatics from coarse-grain modeling of the interaction of gemini surfactants with like-charged membranes, Molecular Physics, 2013, 111 (1), 123-134.

C. M. Nunes, L. Lapinski, R. Fausto, I. Reva, “Near-IR Laser Generation of a High- energy Conformer of L-Alanine and the Mechanism of Its Decay in a Low Temperature Nitrogen Matrix”, J. Chem. Phys., 138 (2013) 125101.

C. M. Nunes, I. Reva, R. Fausto,“Capture and Identification of Elusive Nitrile Ylide as Intermediate in 3,5-Dimethylisoxazole – 2,5-dimethyloxazole Photoisomerization”, J. Org. Chem., 78 (2013) 10657.

I. Oueslati, J. A. C. Paixão, V. H. Rodrigues, K. Suwinska, B. Lesniewska, A. Shkurenko, M. E. S. Eusébio, J. Vicens, Teresa M. R. Maria, A. L. Ramalho, Generating flexibility in inclusion compounds that possess solvent-2 accessible voids: An alternative route to control pore size in three-3 dimensional nanoporous molecular crystals, Crystal Growth & Design, 13 (2013) 4512 – 4517.

Paiva F, Fialho L, Rafael A, Silvério Cabrita A, Pereira AMF, Capela e Silva F. Kidney histological alterations and metallothionein and heat shock protein expression in wistar rats after fungicide thiram exposure | Alterações histológicas dos rins e expressão das metalotioneínas e das proteínas de choque térmico em ratos wistar após exposição ao fungicida tirame. Arquivo Brasileiro de Medicina Veterinaria e Zootecnia. 2013, 65 (1):95-102. 

Patricio, M; Santos, JL; Patricio, F; Varandas, AJC, Roadmap to spline-fitting potentials in high dimensions. Journal of Mathematical Chemistry, 2013, 51, 1729-1746

Walter José Peláez, Teresa M. V. D. Pinho e Melo, Synthesis and Thermal Reactivity of 3-Benzyl-7-Trifluromethyl-1H,3H-Pyrrolo[1,2-c]thiazole-2,2-dioxide, Tetrahedron, 2013, 69, 3646-3655. 

M. M. Pereira, M. J. F. Calvete, R. M. B. Carrilho, A. R. Abreu, Synthesis of binaphthyl based phosphine and phosphite ligands,Chem. Soc. Rev., 42, (2013) 6990.

M. M. Pereira, Â. C. B. Neves, M. J.F. Calvete, L. D. Dias, A. Fernandes, Binol derivative ligand immobilized onto silica: Alkyl-cyanohydrinsynthesis via sequential hydroformylation/heterogeneouscyanosilylation reactions, Cat. Today, 218-219 (2013), 99-106.

R.F.P. Pereira, A.J.M. Valente, H.D. Burrows, V. de Zea Bermudez, R.A. Carvalho, R.A.E. Castro, Structural characterization of solid trivalent metal dodecyl sulfates: from aqueous solution to lamellar superstructures, RSC Advances 2013, 3, 1420-1433. 

Nelson A. M. Pereira, Américo Lemos, Arménio C. Serra, Teresa M. V. D. Pinho e Melo, Functionalization of Dipyrromethanes via Hetero-Diels-Alder Reaction with Azo- and Nitrosoalkenes, Tetrahedron Lett. 2013, 54, 1553-1557.

G. L. Perpétuo, D. A. Gálico, R. A. Fugita, R. A. E. Castro, M. E. S. Eusébio, O. Treu- Filho, A. C. M. Silva, G. Bannach, Thermal behavior of some antihistamines, Journal of Thermal Analysis and Calorimetry, 111 (2013) 2019-2028.

J. Pina, J. S. Seixas de Melo, J-M. Koenen, S. Jung, U. Scherf, “Excited State Characterization and Energy Transfer in Hyperbranched Polytruxenes and Polytruxene block-Polythiophene Multiblock Copolymers” J. Phys. Chem. C 2013, 117, 3718−3728.

J. Pina, J. S. Seixas de Melo, N. Koenen, U. Scherf, “Chain Length Dependent Excited State Decay Processes of Diluted PF2/6 Solutions” J. Phys. Chem. B 2013, 117, 7370−7380. 

J. Pina, J. S. Seixas de Melo, D. Breusov, U. Scherf, “Donor–acceptor–donor thienyl/bithienyl-benzothiadiazole/quinoxaline model oligomers: experimental and theoretical studies” Phys. Chem. Chem. Phys., 2013, 15, 15204-15213. 

J. Pina, J. S. Seixas de Melo , R. M. F. Batista, S. P. G. Costa, M. M.a M. Raposo, “Triphenylamine–Benzimidazole Derivatives: Synthesis, Excited-State Characterization, and DFT Studies” J. Org. Chem., 2013, 78, 11389−11395.

Xavier Ragàs, Xin He, Montserrat Agut, Mónica Roxo-Rosa, António Rocha Gonsalves, Arménio C. Serra and Santi Nonell, “Singlet Oxygen in Antimicrobial Photodynamic Therapy: Photosensitizer-Dependent Production and Decay in E. coli”, Molecules 2013, 18, 2712-2725.

M.L. Ramos, L.L.G. Justino, A. Branco, S.M. Fonseca, H.D. Burrows, "Theoretical and experimental insights into the complexation of 8-hydroxyquinoline-5-sulfonate with divalent ions of Group 12 metals", Polyhedron 52, 743-749 (2013). 

M.L. Ramos, A.R.E. de Sousa, L.L.G. Justino, S.M. Fonseca, C.F.G.C. Geraldes, H.D. Burrows, “Structural and Photophysical Studies on Gallium(III) 8 Hydroxyquinoline-5-sulfonates. Does Excited State Decay Involve Ligand Photolabilisation?”, Dalton Trans., 42, 3682–3694 (2013).

Sónia Ribeiro, Arménio C. Serra, António M. d' A. Rocha Gonsalves, “Efficient Solar Photooxygenation with Supported Porphyrins as Catalysts”, ChemCatComm, 2013, 5, 134–137.

A.C.F. Ribeiro, L.V.M.M. Veríssimo, J.C.S. Gomes, C.I.A.V. Santos, M.C.F. Barros, V. M.M. Lobo, A.J.F.N. Sobral, M.A. Esteso, D.G. Leaist, Mutual Diffusion coefficients in Systems Containing Nickel Ion, Comptes Rendus Mechanique, 341, 417–420 (2013).

A.C.F. Ribeiro, L.M.P. Veríssimo, A.J.F.N. Sobral, V.M.M. Lobo, M.A. Esteso, Effect of the Mean Distance of Closest Approach of Ions on the Diffusion Coefficients calculations in the Aqueous Solutions of Silver Salts, Comptes Rendus Chimie 16, 469-475 (2013).

A.C.F. Ribeiro, J.C.S. Gomes, L.M.P. Veríssimo, C.Romero L.H. Blanco, M.A. Esteso, Diffusion of Cadmium Chloride in Aqueous Solutions at Physiological Temperature 310.15 K, Journal of Chemical Thermodynamics 57, 404-407 (2013). 

A.C.F. Ribeiro, L.M.P. Veríssimo, C.I.A.V. Santos, A.M. T. D. P. V. Cabral, Francisco J. B. Veiga, M. A. Esteso, Effect of HP-β-cyclodextrin in the diffusion behaviour of hydrocortisone in aqueous solutions at T = 298.15 K Hidrocortisone + BCD, International Journal of Pharmaceutics 441, 352-355 (2013).

A.C.F. Ribeiro, C.I.A.V. Santos, M.C.F. Barros, J.C.S. Gomes, L.M.P. Veríssimo, M. da G. Miguel, M.A. Esteso, P. Lo Nostro, V.M.M. Lobo, D.G. Leaist, Salt Effects on theDiffusion of Caffeine in Aqueous Solutions, Fluid Phase Equilibria 338,197–203 (2013).

Robalo, J.R., A.M.T. Martins do Canto, A.J.P. Carvalho, J.P.P. Ramalho, L.M.S. Loura. “Behavior of fluorescent cholesterol analogues dehydroergosterol and cholestatrienol in lipid bilayers: a molecular dynamics study”. J. Phys. Chem. B 117, 5806-5819 (2013).  

Robalo, J.R., J.P.P. Ramalho, L.M.S. Loura. “NBD-labeled Cholesterol Analogs in Phospholipid Bilayers: Insights from Molecular Dynamics”. J. Phys. Chem. B 117, 13731–13742 (2013).

N. Rocha, P. V.Mendonça, J. P. Mendes, P. N. Simões, A. V. Popov, T. Guliashvili, A. C. Serra, J. F. J. Coelho, “Facile Synthesis of Well-Defined Telechelic Alkyne-Terminated Polystyrene in Polar Media Using ATRP With Mixed Fe/Cu Transition Metal Catalyst”, Macromolecular Chemistry and Physics, 2013, 214, 76-84.

G. P. Rodrigues, J. R. Lucena, Jr., E. Ventura, S. A do Monte, I.D. Reva, R. Fausto, “Matrix Isolation FTIR Spectroscopic And Theoretical (IR and Excited State Calculations) Study of 1,1,1-Trifluoro-2-chloroethane (HCFC-133a)”, J. Chem. Phys. 139 (2013) 204302.

R. Rondão, J. S. Seixas de Melo “Thio-Mayan-like Compounds: Excited State Characterization of Indigo Sulfur Derivatives in Solution and Incorporated in Palygorskite and Sepiolite Clays” J. Phys. Chem. C 2013, 117, 603−614.

R. Rondao, J. Seixas de Melo, J. Pina, M. J. Melo, T. Vitorino, A. J. Parola, “Brazilwood Reds: The (Photo)chemistry of Brazilin and Brazilein" J. Phys. Chem. A 2013, 117, 10650-10660.

G. F. F: Sa, C. Serpa, L. G. Arnaut, “Stratum corneum permeabilization with photoacoustic waves generated by piezophotonic materials”, J. Control. Release, 167 (2013) 290-300.

C.I.A.V. Santos, A.C.F. Ribeiro, L.M.P. Veríssimo, V.M.M. Lobo, M.A. Esteso, Influence of Potassium Chloride on Diffusion of some Cyclodextrins at T = 298.15 K and T = 310.15 K, Journal of Chemical Thermodynamics 57, 220-223 (2013).

C.I.A.V. Santos, M.A. Esteso, V.M.M. Lobo, A.C.F. Ribeiro, Multicomponent Diffusion in Cyclodextrin-Drug- Salt-water systems. 2-hydroxypropyl-β-cyclodextrin (HP-βCD) + KCl + theophylline + water, and β-cyclodextrin (βCD) + KCl + theophylline + water, Journal of Chemical Thermodynamic 59, 139-143. 

Bruna S. Santos, Teresa M. V. D. Pinho e Melo, Synthesis of chiral spirocyclopentenyl- β-lactams via phosphane-catalyzed [3+2] annulation of allenoates with 6- alkylidenepenicillanates, Eur. J. Org. Chem. 2013, 3901-3909. 

M. Elisa Silva Serra, Dina Murtinho, Albertino Goth, The synthesis of tetradentate salens derived from (3R,4R)-N-substituted-3,4-diaminopyrrolidines and their application in the enantioselective trimethylsilylcyanation of aromatic aldehydes, Tetrahedron Asymmetry,24, 315-318 (2013).

J. de A. e Silva, C.o Yuste-Vivas, A. J. F. N. Sobral, M. R. Silva, “1-[(E)-Anthracen-9- ylmethylidene]-2-(2,4-dinitrophenyl)hydrazine”, Acta Cryst. E69, o705 (2013). 

J. de A. e Silva, V. F. Domingos, D. Marto, L. Costa, M. Marcos, M. R. Silva, J. M. Gil, A.J.F.N.Sobral, “Reversible Sequestering of CO2 on a Multiporous Crystalline Framework of 2-Quinolin-Porphyrin”, Tet. Lett., 54, 2449 - 2451 (2013).  

S.M.C. Silva, J.J.S. Sousa, E.F.; Marques, A.A.C.C. Pais, B.B. Michniak-Kohn, Structure Activity Relationships in Alkylammonium C-12-Gemini Surfactants Used as Dermal Permeation Enhancers,AAPS Journal, 2013, 15(4), 1119-1127.

E. F. F. Silva, F. A. Schaberle, C. J. P. Monteiro, J. M. Drabrowski, L. G. Arnaut, “The challenging combination of intense fluorescence and high singlet oxygen quantum yield in photostable chlorins – A contribution to theranostics”, Photochem. Photobiol. Sci., 12 (2013) 1187-1192.

Silva, D.S., L.M.G. Pereira, A.R. Moreira, F. Ferreira-da-Silva, R.M. Brito, T.Q. Faria, I. Zornetta, C. Montecucco, P. Oliveira, J.E. Azevedo, P.J.B. Pereira, S. Macedo- Ribeiro, A. do Vale, and N.M.S. dos Santos. “The Apoptogenic Toxin AIP56 Is a Metalloprotease A-B Toxin that Cleaves NF-kappa b P65”. PLOS Pathogens 9, e1003128 (2013).

S.M.N. Simões, F.J.B.Veiga, J.J. Torres-Labandeira, A.C.F. Ribeiro, A. Concheiro, C.Alvarez-Lorenzo, Poloxamine-cyclodextrin-simvastatin Supramolecular Systems Promote Osteoblast Differentiation of Mesenchymal stem Cells, Macromolecular Bioscience 13, 723-734 (2013).

S.M.N. Simões, F.J.Veiga, J.J. Torres-Labandeira, A.C.F. Ribeiro, A. Concheiro, C. Alvarez-Lorenzo, Syringeable Self-assembled Cyclodextrin Gels for Drug Delivery, Current Topics in Medicinal Chemistry 14, 1873-5294 (2013).

Maria I. L. Soares, Ana Filipa Brito, Mafalda Laranjo, José A. Paixão, M. Filomena Botelho, Teresa M. V. D. Pinho e Melo, Chiral 6,7-bis(hydroxymethyl)-1H,3H pyrrolo[1,2-c]thiazoles with anti-Breast Cancer Properties, Eur. J. Med. Chem. 2013, 60, 254-262. 

Maria I. L. Soares, Cláudio M. Nunes, Clara S. B. Gomes, Teresa M. V. D. Pinho e Melo, Thiazolo[3,4-b]indazole-2,2-dioxides as Masked Extended Dipoles: Pericyclic Reactions of Benzodiazafulvenium Methides, J. Org. Chem. 2013, 78, 628-637.

Suárez-Germà, C., L.M.S. Loura, M. Prieto, Ò. Domènech, J.M. Campanera, M.T. Montero, J. Hernández-Borrell. “Phospholipid-lactose permease interaction as reported by a head labeled pyrene phosphatidylethanolamine: a FRET study”. J. Phys. Chem. B 117, 6741-6748 (2013).

M. J. Tapia, M. Monteserín, J. Pina, J. S. Seixas de Melo, H. D. Burrows, b-Phase Formation in Poly(9,9-dioctylfluorene) promoted by natural lecithin liposomes, J. Colloid Sci.Biotechnol, 2013, 2, 243-248. 

M. J. Tapia, M. Monteserín, H. D. Burrows, J. S. Seixas de Melo, J. Estelrich, Effect of the Phospholipid Chain-length and Head group on Beta Phase Formation of Poly(9,9 dioctylfluorene) Enclosed in Liposomes, Photochem.Photobiol. 2013, 89, 1471-1478. 

Toubarro D, Avila MM, Hao YJ, Balasubramanian N, Jing Y, Montiel R, Faria TQ, Brito RMM, Simões N. A Serpin Released by an Entomopathogen Impairs Clot Formation in Insect Defense System. 2013. PLoS One. 8(7): e69161.

A.J.M. Valente, S.M.A. Cruz, D.M.B. Murtinho, M.G. Miguel, E.C. Muniz, DNA-poly(vinyl alcohol) gel matrices: release properties are strongly dependent on electrolytes and cationic surfactants, Colloids Surfaces B-Biointerfaces 2013, 101, 111-117.

Varandas, AJC, Accurate Determination of the Reaction Course in HY2 (sic) Y + YH (Y = O, S): Detailed Analysis of the Covalent- to Hydrogen-Bonding Transition. Journal of Physical Chemistry A, 2013, 117, 7393-7407.

Varandas, AJC, Accurate combined-hyperbolic-inverse-power-representation of ab initio potential energy surface for the hydroperoxyl radical and dynamics study of O plus OH reaction. Journal of Chemical Physics, 2013, 138, Article Number: 134117.

Varandas, AJC, Combined-hyperbolic-inverse-power-representation of potential energy surfaces: A preliminary assessment for H-3 and HO2. Journal of Chemical Physics, 2013, 138, Article Number: 054120.

R. Vázquez-Guilló, A. Calero, A.J.M. Valente, H.D. Burrows, C.R. Mateo, R. Mallavia, Novel Electrospun Luminescent Nanofibers from Cationic Polyfluorene/Cellulose Acetate Blend, Cellulose 2013, 20, 169-177.

L.M.P. Veríssimo, T.I.C. Valada, A.C.F. Ribeiro, A.J.F.N. Sobral, V.M.M. Lobo, M.A. Esteso, Effect of Lactose on the Diffusion of Ferric Sulphate in Aqueous Solutions at 25 ºC), Journal of Chemical Thermodynamics 59, 135–138 (2013).

L.M.P. Veríssimo, J.C.S. Gomes, C. Romero, M.A.Esteso, A.J.F.N. Sobral, A.C.F. Ribeiro, Interaction between Lactose and Cadmium Chloride in Aqueous Solutions as Seen by Diffusion and ab initio Calculations, Journal of Chemical Thermodynamics 61, 79-82 (2013).

A. Vieira, A. C. Serra, R. A. Carvalho, A. Gonsalves, A. Figueiras, F. Veiga, A. R. Gonsalves, “Microwave synthesis and in vitro stability of diclofenac-β-cyclodextrin conjugate for colon delivery.”, Carbohydr. Polym, 2013, 93, 512-17. 

C. Vitorino, L. Alves, F.E. Antunes, J.J. Sousa, A.A.C.C. Pais, Design of a dual nanostructured lipid carrier formulation based on physicochemical, rheological, and mechanical properties. Journal of Nanoparticle Research, 2013, 15(10), UNSP 1993.

C. Vitorino, J. Almeida, L.M.; Goncalves, A.J.; Almeida, J.J.; Sousa, A.A.C.C. Pais, . Co-encapsulating nanostructured lipid carriers for transdermal application: From experimental design to the molecular detail, Journal of Controlled Release, 2013, 167(3), 301-314.

C. Vitorino, J.J. Sousa, A.A.C.C. Pais, A rapid reversed-phase HPLC method for the simultaneous analysis of olanzapine and simvastatin in dual nanostructured lipid carriers, Analytical methods, 2013, 5(19), 5058-5064.

C. Yuste, C. C. Arranja, A. Balakrishna, A. J. F. N. Sobral, M. R. Silva, “Chloro- (5,10,15,20-tetraphenylporphyrinato)-manganese”, Zeitschrift Kristallographie - New Crystal Structures, 228, 138-140 (2013).  



2012

Abreu, C. M. R.; Mendonca, P. V.; Serra, A. C.; Coelho, J. F. J.; Popov, A. V.; Gryn'ova, G.; Coote, M. L.; Guliashvili, T., Reversible Addition-Fragmentation Chain Transfer Polymerization of Vinyl Chloride. Macromolecules 2012, 45 (5), 2200-2208.

Abreu, C. M. R.; Mendonca, P. V.; Serra, A. C.; Coelho, J. F. J.; Popov, A. V.; Guliashvili, T., Accelerated Ambient-Temperature ATRP of Methyl Acrylate in Alcohol-Water Solutions with a Mixed Transition-Metal Catalyst System. Macromolecular Chemistry and Physics 2012, 213 (16), 1677-1687.

Abreu, C. M. R.; Mendonca, P. V.; Serra, A. C.; Popov, A. V.; Matyjaszewski, K.; Guliashvili, T.; Coelho, J. F. J., Inorganic Sulfites: Efficient Reducing Agents and Supplemental Activators for Atom Transfer Radical Polymerization. ACS Macro Letters 2012, 1 (11), 1308-1311.

Araujo-Andrade, C.; Gomez-Zavaglia, A.; Reva, I. D.; Fausto, R., Conformers, Infrared Spectrum and UV-Induced Photochemistry of Matrix-Isolated Furfuryl Alcohol. Journal of Physical Chemistry A 2012, 116 (9), 2352-2365

Araujo-Andrade, C.; Giuliano, B. M.; Gomez-Zavaglia, A.; Fausto, R., Structure and UV-induced photochemistry of 2-furaldehyde dimethylhydrazone isolated in rare gas matrices. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 2012, 97, 830-837.

Bertini, I.; Calderone, V.; Cerofolini, L.; Fragai, M.; Geraldes, C.; Hermann, P.; Luchinat, C.; Parigi, G.; Teixeira, J. M. C., The catalytic domain of MMP-1 studied through tagged lanthanides. Febs Letters 2012, 586 (5), 557-567.

Bilalov, A.; Olsson, U.; Lindman, B., Complexation between DNA and surfactants and lipids: phase behavior and molecular organization. Soft Matter 2012, 8 (43), 11022-11033.

Bilalov, A.; Carlstedt, J.; Krivtsova, E.; Lindman, B.; Olsson, U., DNA with amphiphilic counterions: tuning colloidal DNA with cyclodextrin. Soft Matter 2012, 8 (18), 4988-4994.

Breda, S.; Reva, I.; Fausto, R., UV-Induced Unimolecular Photochemistry of Diketene Isolated in Cryogenic Inert Matrices. Journal of Physical Chemistry A 2012, 116 (9), 2131-2140.

Burrows, H. D.; Costa, D.; Ramos, M. L.; Miguel, M. D.; Teixeira, M. H.; Pais, A.; Valente, A. J. M.; Bastos, M.; Bai, G. Y., Does cation dehydration drive the binding of metal ions to polyelectrolytes in water? What we can learn from the behaviour of aluminium(III) and chromium(III). Physical Chemistry Chemical Physics 2012, 14 (22), 7950-7953.

Cabre, E. J.; Loura, L. M. S.; Fedorov, A.; Perez-Gil, J.; Prieto, M., Topology and lipid selectivity of pulmonary surfactant protein SP-B in membranes: Answers from fluorescence. Biochimica Et Biophysica Acta-Biomembranes 2012, 1818 (7), 1717-1725.

Cardoso, A. L.; Melo, T., Aziridines in Formal [3+2] Cycloadditions: Synthesis of Five- Membered Heterocycles. European Journal of Organic Chemistry 2012, (33), 6479-6501.

Carlstedt, J.; Lundberg, D.; Dias, R. S.; Lindman, B., Condensation and Decondensation of DNA by Cationic Surfactant, Spermine, or Cationic Surfactant-Cyclodextrin Mixtures: Macroscopic Phase Behavior, Aggregate Properties, and Dissolution Mechanisms. Langmuir 2012, 28 (21), 7976-7989.

Carlstedt, J.; Bilalov, A.; Krivtsova, E.; Olsson, U.; Lindman, B., Cyclodextrin- Surfactant Coassembly Depends on the Cyclodextrin Ability To Crystallize. Langmuir

2012, 28 (5), 2387-2394.

Carrilho, R. M. B.; Pereira, M. M.; Takacs, A.; Kollar, L., Systematic study on the catalytic synthesis of unsaturated 2-ketocarboxamides: palladium-catalyzed double carbonylation of 1-iodocyclohexene. Tetrahedron 2012, 68 (1), 204-207.

Carrilho, R. M. B.; Neves, A. C. B.; Lourenco, M. A. O.; Abreu, A. R.; Rosado, M. T. S.; Abreu, P. E.; Eusebio, M. E. S.; Kollar, L.; Bayon, J. C.; Pereira, M. M., Rhodium/tris-binaphthyl chiral monophosphite complexes: Efficient catalysts for the hydroformylation of disubstituted aryl olefins. Journal of Organometallic Chemistry 2012, 698, 28-34.

Carrilho, R. M. B.; Heguaburu, V.; Schapiro, V.; Pandolfi, E.; Kollar, L.; Pereira, M. M., An efficient route for the synthesis of chiral conduritol-derivative carboxamides via palladium-catalyzed aminocarbonylation of bromocyclohexenetetraols. Tetrahedron 2012, 68 (34), 6935-6940.

Catré, D.; Lopes, M. F.; Cabrita, A. S., Lasting developmental effects of neonatal fentanyl exposure in preweanling rats. Anesthesiology Research and Practice 2012, 180124.

Coreta-Gomes, F. M.; Vaz, W. L. C.; Wasielewski, E.; Geraldes, C.; Moreno, M. J., Quantification of cholesterol solubilized in bile salt micellar aqueous solutions using C-13 nuclear magnetic resonance. Analytical Biochemistry 2012, 427 (1), 41-48.

Costa, D.; Valente, A. J. M.; Graca Miguel, M.; Queiroz, J., Plasmid DNA Microgels for a Therapeutical Strategy Combining the Delivery of Genes and Anticancer Drugs. Macromolecular Bioscience 2012, 12 (9), 1243-1252

Costa, D.; Queiroz, J.; Miguel, M. G.; Lindman, B., Swelling behavior of a new biocompatible plasmid DNA hydrogel. Colloids and Surfaces B-Biointerfaces 2012, 92, 106-112.

Cuomo, F.; Lopez, F.; Ceglie, A.; Maiuro, L.; Miguel, M. G.; Lindman, B., pH- responsive liposome-templated polyelectrolyte nanocapsules. Soft Matter 2012, 8 (16), 4415-4420.

Dabrowski, J. M.; Arnaut, L. G.; Pereira, M. M.; Urbanska, K.; Stochel, G., Improved biodistribution, pharmacokinetics and photodynamic efficacy using a new photostable sulfonamide bacteriochlorin. MedChemComm 2012, 3 (4), 502-505.

Dabrowski, J. M.; Arnaut, L. G.; Pereira, M. M.; Urbanska, K.; Simoes, S.; Stochel, G.; Cortes, L., Combined effects of singlet oxygen and hydroxyl radical in photodynamic therapy with photostable bacteriochlorins: Evidence from intracellular fluorescence and increased photodynamic efficacy in vitro. Free Radical Biology and Medicine 2012, 52 (7), 1188-1200.

da Costa, V. C. P.; Ribeiro, A. C. F.; Sobral, A.; Lobo, V. M. M.; Annunziata, O.; Santos, C.; Willis, S. A.; Price, W. S.; Esteso, M. A., Mutual and self-diffusion of charged porphyrines in aqueous solutions. Journal of Chemical Thermodynamics 2012, 47, 312-319.

Da Costa, M. M.; Duarte, A. R.; Capela-Silva, F.; Farinha, R.; Cabrita, A. S. In Liver Morphologic Changes Induced by Semicarbazide, Faseb Journal, Apr; 2012.

da Silva, E. F. F.; Pedersen, B. W.; Breitenbach, T.; Toftegaard, R.; Kuimova, M. K.; Arnaut, L. G.; Ogilby, P. R., Irradiation- and Sensitizer-Dependent Changes in the Lifetime of Intracellular Singlet Oxygen Produced in a Photosensitized Process. Journal of Physical Chemistry B 2012, 116 (1), 445-461.

Debasu, M. L.; Ananias, D.; Pinho, S. L. C.; Geraldes, C.; Carlos, L. D.; Rocha, J., (Gd,Yb,Tb)PO4 up-conversion nanocrystals for bimodal luminescence-MR imaging. Nanoscale 2012, 4 (16), 5154-5162.

Delgado, T. C.; Barosa, C.; Nunes, P. M.; Scott, D. K.; O'Doherty, R. M.; Cerdan, S.; Geraldes, C.; Jones, J. G., Effect of cyclosporine A on hepatic carbohydrate metabolism and hepatic gene expression in rat. Expert Opinion on Drug Metabolism & Toxicology 2012, 8 (10), 1223-1230.

Delgado, T. C.; Barosa, C.; Nunes, P. M.; Cerdan, S.; Geraldes, C.; Jones, J. G., Resolving the Sources of Plasma Glucose Excursions following a Glucose Tolerance Test in the Rat with Deuterated Water and [U-C-13]Glucose. Plos One 2012, 7 (3). e34042.

Dias, R. S.; Pais, A., Effect of the Architecture on Polyelectrolyte Adsorption and Condensation at Responsive Surfaces. Journal of Physical Chemistry B 2012, 116 (30), 9246-9254.

do Canto, A.; Carvalho, A. J. P.; Ramalho, J. P. P.; Loura, L. M. S., Molecular Dynamics Simulation of HIV Fusion Inhibitor T-1249: Insights on Peptide-Lipid Interaction. Computational and Mathematical Methods in Medicine 2012. 151854

dos Santos, S.; Piculell, L.; Medronho, B.; Miguel, M. G.; Lindman, B., Phase behavior and rheological properties of DNA-cationic polysaccharide mixtures. Journal of Colloid and Interface Science 2012, 383, 63-74.

Encarnação, Telma E.; Burrows, H. D.; Pais, A. C.; Campos, M. G.; Kremer, A., Effect of N and P on the Uptake of Magnesium and Iron and on the Production of Carotenoids and Chlorophyll by the Microalgae Nannochloropsis sp. Journal of Agricultural Science & Technology A 2012, 2 (6A), 824-832.

Estronca, L.; Silva, J. C. P.; Sampaio, J. L.; Shevchenko, A.; Verkade, P.; Vaz, A. D. N.; Vaz, W. L. C.; Vieira, O. V., Molecular Etiology of Atherogenesis - In Vitro Induction of Lipidosis in Macrophages with a New LDL Model. Plos One 2012, 7 (4), e34822.

Evans, R. C.; Knaapila, M.; Willis-Fox, N.; Kraft, M.; Terry, A.; Burrows, H. D.; Scherf, U., Cationic Polythiophene-Surfactant Self-Assembly Complexes: Phase Transitions, Optical Response, and Sensing. Langmuir 2012, 28 (33), 12348-12356.

Evora, A. O. L.; Castro, R. A. E.; Maria, T. M. R.; Rosado, M. T. S.; Silva, M. R.; Canotilho, J.; Eusebio, M. E. S., Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis. CrystEngComm 2012, 14 (24), 8649-8657.

Fausto, R.; Lapinski, L.; Reva, I., Special issue: "Light-Induced Processes in Cryogenic Matrices" Preface. In Journal of Molecular Structure, 2012; Vol. 1025, pp 1-1.

Fernandez-Lodeiro, J.; Nunez, C.; Faza, O. N.; Capelo, J. L.; Lodeiro, C.; de Melo, J. S. S.; Lopez, C. S., Novel emissive podands based on 8-OH-quinoline: Synthesis, fluorescence materials, DFT and complexation studies. Inorganica Chimica Acta 2012, 381, 218-228.

Ferreira, B.; da Silva, P. F.; de Melo, J. S. S.; Pina, J.; Macanita, A., Excited-State Dynamics and Self-Organization of Poly(3-hexylthiophene) (P3HT) in Solution and Thin Films. Journal of Physical Chemistry B 2012, 116 (8), 2347-2355.

Ferreira, M. F.; Mousavi, B.; Ferreira, P. M.; Martins, C. I. O.; Helm, L.; Martins, J. A.; Geraldes, C., Gold nanoparticles functionalised with stable, fast water exchanging Gd3+ chelates as high relaxivity contrast agents for MRI. Dalton Transactions 2012, 41 (18), 5472-5475.

Fialho, L.; Rafael, A.; Cabrita, A. S.; Pereira, A. M. F.; Silva, F. C. E., Effect of dithiocarbamate thiram on Wistar rat growth plate and articular cartilage. Arquivo Brasileiro De Medicina Veterinaria E Zootecnia 2012, 64 (1), 236-240.

Filippelli, L.; Gentile, L.; Rossi, C. O.; Ranieri, G. A.; Antunes, F. E., Structural Change of Bitumen in the Recycling Process by Using Rheology and NMR. Industrial & Engineering Chemistry Research 2012, 51 (50), 16346-16353.

Fonseca, A. C.; Jarmelo, S.; Canotilho, J.; Eusebio, M. E. S.; Fausto, R.; Gil, M. H.; Simoes, P. N., Thermoanalytical study of N-alpha-benzoyl-L-argininate ethyl ester chloride. Thermochimica Acta 2012, 527, 83-90.

Fraga, A. S.; Esteves, A. C.; Micaelo, N.; Cruz, P. F.; Brito, R. M. M.; Nutley, M.; Cooper, A.; Barros, M. M. T.; Pires, E. M. V., Functional and conformational changes in the aspartic protease cardosin A induced by TFE. International Journal of Biological Macromolecules 2012, 50 (2), 323-330

Galvao, B. R. L.; Caridade, P. J. S. B.; Varandas, A. J. C., N(S-4/D-2)+N-2: Accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics. Journal of Chemical Physics 2012, 137 (22), 22A515

Giuliano, B. M.; Reva, I.; Lapinski, L.; Fausto, R., Infrared spectra and ultraviolet- tunable laser induced photochemistry of matrix-isolated phenol and phenol-d(5). Journal of Chemical Physics 2012, 136 (2), 024505.

Gramacho, S.; Lopes, L.; Gonsalves, A. R.; Pineiro, M.; Fonte, P.; Gonsalves, A. M. D., Quantification and inhibition of the gas polymerization process in timing RPCs. Nuclear Instruments & Methods in Physics Research Section a-Accelerators Spectrometers Detectors and Associated Equipment 2012, 661, S222-S225.

Guliashvili, T.; Mendonca, P. V.; Serra, A. C.; Popov, A. V.; Coelho, J. F. J., Copper- Mediated Controlled/"Living" Radical Polymerization in Polar Solvents: Insights into Some Relevant Mechanistic Aspects. Chemistry-a European Journal 2012, 18 (15), 4607-4612.

Harley, C. A.; Jesus, C. S. H.; Carvalho, R.; Brito, R. M. M.; Morais-Cabral, J. H., Changes in Channel Trafficking and Protein Stability Caused by LQT2 Mutations in the PAS Domain of the HERG Channel. Plos One 2012, 7 (3), e32654.

Henriques, C. A.; Goncalves, N. P. F.; Abreu, A. R.; Calvete, M. J. F.; Pereira, M. M., Unsymmetrical porphyrins: the role of meso-substituents on their physical properties. Journal of Porphyrins and Phthalocyanines 2012, 16 (3), 290-296.

Holliman, P. J.; Mohsen, M.; Connell, A.; Davies, M. L.; Al-Salihi, K.; Pitak, M. B.; Tizzard, G. J.; Coles, S. J.; Harrington, R. W.; Clegg, W.; Serpa, C.; Fontes, O. H.; Charbonneau, C.; Carnie, M. J., Ultra-fast co-sensitization and tri-sensitization of dye- sensitized solar cells with N719, SQ1 and triarylamine dyes. Journal of Materials Chemistry 2012, 22 (26), 13318-13327.

Ildiz, G. O.; Nunes, C. M.; Kus, N.; Fausto, R., FTIR investigation of the O-H center dot center dot center dot Xe interaction in simple carboxylic acids in solid xenon. Journal of Chemical Physics 2012, 137 (6), 064309.

Ismael, A.; Paixao, J. A.; Fausto, R.; Cristiano, M. L. S., Molecular structure of nitrogen-linked methyltetrazole-saccharinates. Journal of Molecular Structure 2012,1023, 128-142.

Janjua, M. R. S. A.; Khan, M. U.; Bashir, B.; Iqbal, M. A.; Song, Y. Z.; Naqvi, S. A. R.; Khan, Z. A., Effect of pi-conjugation spacer (-C C-) on the first hyperpolarizabilities of polymeric chain containing polyoxometalate cluster as a side-chain pendant: A DFT study. Computational and Theoretical Chemistry 2012, 994, 34-40.

Janjua, M. R. S. A.; Amin, M.; Ali, M.; Bashir, B.; Khan, M. U.; Iqbal, M. A.; Guan, W.; Yan, L. K.; Su, Z. M., A DFT Study on The Two-Dimensional Second-Order Nonlinear Optical (NLO) Response of Terpyridine-Substituted Hexamolybdates: Physical Insight on 2D Inorganic-Organic Hybrid Functional Materials. European Journal of Inorganic Chemistry 2012, (4), 705-711.

Jesus, C. S. H.; Vaz, D. C.; Saraiva, M. J. M.; Brito, R. M. M., The V30M Amyloidogenic Mutation Decreases the Rate of Refolding Kinetics of the Tetrameric Protein Transthyretin. Spectroscopy-an International Journal 2012, 27 (5-6), 343-348.

Jesus, A. J. L.; Teixeira, M.; Redinha, J. S., Structure of Charged Cyclohexyldiamines in Aqueous Solution: A Theoretical and Experimental Study. Journal of Physical Chemistry B 2012, 116 (16), 5019-5027.

Jorge, A. F.; Dias, R. S.; Pais, A., Enhanced Condensation and Facilitated Release of DNA Using Mixed Cationic Agents: A Combined Experimental and Monte Carlo Study. Biomacromolecules 2012, 13 (10), 3151-3161.

Khomchenko, V. A.; Troyanchuk, I. O.; Maria, T. M. R.; Karpinsky, D. V.; Das, S.; Amaral, V. S.; Paixao, J. A., Mn doping-induced structural and magnetic transformations in the antiferroelectric phase of the Bi1-xNdxFeO3 perovskites. Journal of Applied Physics 2012, 112 (6), 064105.

Krivtsov, A.; Bilalov, A.; Olsson, U.; Lindman, B., DNA with Double-Chained Amphiphilic Counterions and Its Interaction with Lecithin. Langmuir 2012, 28 (38), 13698-13704.

Krupa, J.; Olbert-Maikut, A.; Reva, I.; Fausto, R.; Wierzejewska, M., Ultraviolet- Tunable Laser Induced Phototransformations of Matrix Isolated Isoeugenol and Eugenol. Journal of Physical Chemistry B 2012, 116 (36), 11148-11158.

Kus, N.; Sharma, A.; Reva, I.; Lapinski, L.; Fausto, R., Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: A comparison with benzaldehyde. Journal of Chemical Physics 2012, 136 (14). 144509

Kus, N.; Reva, I.; Bayari, S.; Fausto, R., In situ photoproduction of dichlorodibenzo-p-dioxin from non-ionic triclosan isolated in solid argon. Journal of Molecular Structure 2012, 1007, 88-94.

Li, Y. Q.; Varandas, A. J. C., Accurate ab initio-based double many-body expansion adiabatic potential energy surface for the 22 A' state of NH2 by extrapolation to the complete basis set limit. International Journal of Quantum Chemistry 2012, 112 (17), 2932-2939.

Li, J.; Varandas, A. J. C., Accurate ab-Initio-Based Single-Sheeted DMBE Potential- Energy Surface for Ground-State N2O. Journal of Physical Chemistry A 2012, 116 (18), 4646-4656.

Lima, L. M. P.; Delgado, R.; Hermann, P.; Sevcik, R.; Lubal, P.; Carvalho, H. F.; Martins, A. F.; Toth, E.; Geraldes, C., Tris(phosphonomethyl)cyclen Derivatives: Thermodynamic Stability, Kinetics, Solution Structure, and Relaxivity of Ln(3+) Complexes. European Journal of Inorganic Chemistry 2012, (15), 2548-2559.

Loura, L. M. S., Simple Estimation of Forster Resonance Energy Transfer (FRET) Orientation Factor Distribution in Membranes. International Journal of Molecular Sciences 2012, 13 (11), 15252-15270.

Loura, L. M. S., Lateral Distribution of NBD-PC Fluorescent Lipid Analogs in Membranes Probed by Molecular Dynamics-Assisted Analysis of Forster Resonance Energy Transfer (FRET) and Fluorescence Quenching. International Journal of Molecular Sciences 2012, 13 (11), 14545-14564.

Maia, J.; Vazao, H.; Pedroso, D. C. S.; Jesus, C. S. H.; Brito, R. M. M.; Graos, M.; Gil, M. H.; Ferreira, L., VEGF-Functionalized Dextran Has Longer Intracellular Bioactivity than VEGF in Endothelial Cells. Biomacromolecules 2012, 13 (9), 2906-2916.

Martins, P. T.; Velazquez-Campoy, A.; Vaz, W. L. C.; Cardoso, R. M. S.; Valerio, J.; Moreno, M. J., Kinetics and Thermodynamics of Chlorpromazine Interaction with Lipid Bilayers: Effect of Charge and Cholesterol. Journal of the American Chemical Society 2012, 134 (9), 4184-4195.

Medronho, B.; Romano, A.; Miguel, M. G.; Stigsson, L.; Lindman, B., Rationalizing cellulose (in)solubility: reviewing basic physicochemical aspects and role of hydrophobic interactions. Cellulose 2012, 19 (3), 581-587.

Metelo, A. M.; Perez-Carro, R.; Castro, M.; Lopez-Larrubia, P., VO(dmpp)(2) normalizes pre-diabetic parameters as assessed by in vivo magnetic resonance imaging and spectroscopy. Journal of Inorganic Biochemistry 2012, 115, 44-49.

Miranda, M. D.; Silva, M. R.; Maria, T. M. R.; Balakrishna, A.; Sobral, A. J. F. N., 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate. Acta Crystallographica Section E, Structure Reports Online 2012, 68 (12), o3462-o3463.

Miranda, M. D.; Ramos Silva, M.; Maria, T. M. R.; Balakrishna, A.; Sobral, A. J. F. N., 5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate. Acta Crystallographica Section E 2012, 68 (12), o3462-o3463.

Mohr, A.; Nylander, T.; Piculell, L.; Lindman, B.; Boyko, V.; Bartels, F. W.; Liu, Y. Q.; Kurka-Siebert, V., Mixtures of Cationic Copolymers and Oppositely Charged Surfactants: Effect of Polymer Charge Density and Ionic Strength on the Adsorption Behavior at the Silica-Aqueous Interface. ACS Applied Materials & Interfaces 2012, 4 (3), 1500-1511.

Mondal, T.; Varandas, A. J. C., Quadratic coupling treatment of the Jahn-Teller effect in the triply-degenerate electronic state of CH4+: Can one account for floppiness? Journal of Chemical Physics 2012, 137 (21), 214320.

Monteiro, C. J. P.; Pina, J.; Pereira, M. M.; Arnaut, L. G., On the singlet states of porphyrins, chlorins and bacteriochlorins and their ability to harvest red/infrared light. Photochemical & Photobiological Sciences 2012, 11 (7), 1233-1238.

Monteiro, C. J. P.; Pereira, M. M.; Vicente, M. G. H.; Arnaut, L. G., Photophysical properties of unsymmetric meso-substituted porphyrins synthesized via the Suzuki coupling reaction. Tetrahedron 2012, 68 (42), 8783-8788. 10.1016/j.tet.2012.08.002,

Monteiro, C. J. P.; Pereira, M. M.; Goncalves, N. P. F.; Carvalho, C. G.; Neves, A. C. B.; Abreu, A. R.; Arnaut, L. G.; Silva, A. M. S., Separation and atropisomer isolation of ortho-halogenated tetraarylporphyrins by HPLC. Full characterization using 1D and 2D NMR. Journal of Porphyrins and Phthalocyanines 2012, 16 (3), 316-323.

Moran, M. C.; Alonso, T.; Lima, F. S.; Vinardell, M. P.; Miguel, M. G.; Lindman, B., Counter-ion effect on surfactant-DNA gel particles as controlled DNA delivery systems. Soft Matter 2012, 8 (11), 3200-3211.

Mota, V. C.; Caridade, P. J. S. B.; Varandas, A. J. C., Ab Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the First (2)A '' Electronic State of NO2. Journal of Physical Chemistry A 2012, 116 (11), 3023-3034.

Nascimento, B.; Rodrigues, G.; Frigoni, E. S.; Soares, H. M.; Meireles, C. D.; Cerqueira, D. A.; Valente, A. J. M.; Carvalho, R. D.; de Assuncao, R. M. N.; Motta, L. A. D., Application of cellulose sulfoacetate obtained from sugarcane bagasse as an additive in mortars. Journal of Applied Polymer Science 2012, 124 (1), 510-517.

Neves, A. C. B.; Pinto, S. M. A.; Henriques, C. A.; Rosado, M. T. S.; Mallavia, R.; Burrows, H. D.; Pereira, M. M.; Calvete, M. J. F., Routes to synthesis of porphyrins covalently bound to poly(carbazole)s and poly(fluorene)s: Structural and computational studies on oligomers. Journal of Molecular Structure 2012, 1029, 199-208.

Neves, A. C. B.; Calvete, M. J. F.; Melo, T.; Pereira, M. M., Immobilized Catalysts for Hydroformylation Reactions: A Versatile Tool for Aldehyde Synthesis. European Journal of Organic Chemistry 2012, (32), 6309-6320.

Nogueira, J. J.; Sanchez-Coronilla, A.; Marques, J. M. C.; Hase, W. L.; Martinez- Nunez, E.; Vazquez, S. A., Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)(2)SiNCS+ ions with fluorinated self-assembled monolayers. Chemical Physics 2012, 399, 193-204.

Nunes, C. M.; Reva, I.; Melo, T.; Fausto, R., UV-Laser Photochemistry of Isoxazole Isolated in a Low-Temperature Matrix. Journal of Organic Chemistry 2012, 77 (19), 8723-8732.

Oliveira-Santos, M.; Lopes, M. F.; Catre, D.; Goncalves, E.; Cabrita, A., Effect of Hydroxyethyl Starch on Acute Renal Injury in a Model of Hepatic Ischemia- Reperfusion. Acta Medica Portuguesa 2012, 25 (5), 308-316.

Pereira, P.; Jorge, A. F.; Martins, R.; Pais, A.; Sousa, F.; Figueiras, A., Characterization of polyplexes involving small RNA. Journal of Colloid and Interface Science 2012, 387, 84-94.

Pereira, M. M.; Abreu, A. R.; Goncalves, N. P. F.; Calvete, M. J. F.; Simoes, A. V. C.; Monteiro, C. J. P.; Arnaut, L. G.; Eusebio, M. E.; Canotilho, J., An insight into solvent- free diimide porphyrin reduction: a versatile approach for meso-aryl hydroporphyrin synthesis. Green Chemistry 2012, 14 (6), 1666-1672.

Pereira, G. A.; Peters, J. A.; Terreno, E.; Delli Castelli, D.; Aime, S.; Laurent, S.; Vander Elst, L.; Muller, R. N.; Geraldes, C., Supramolecular Adducts of Negatively Charged Lanthanide(III) DOTP Chelates and Cyclodextrins Functionalized with Ammonium Groups: Mass Spectrometry and Nuclear Magnetic Resonance Studies. European Journal of Inorganic Chemistry 2012, (12), 2087-2098.

Lopes, S. M. M.; Brigas, A. F.; Palacios, F.; Lemos, A.; Melo, T., [4+2] Cycloadditions of 3-Tetrazolyl-1,2-diaza-1,3-butadienes: Synthesis of 3-Tetrazolyl-1,4,5,6-tetrahydropyridazines. European Journal of Organic Chemistry 2012, (11), 2152-2160.

Pinho, S. L. C.; Faneca, H.; Geraldes, C.; Delville, M. H.; Carlos, L. D.; Rocha, J., Lanthanide-DTPA grafted silica nanoparticles as bimodal-imaging contrast agents. Biomaterials 2012, 33 (3), 925-935.

Pinho, S. L. C.; Laurent, S.; Rocha, J.; Roch, A.; Delville, M. H.; Mornet, S.; Carlos, L. D.; Vander Elst, L.; Muller, R. N.; Geraldes, C., Relaxometric Studies of gamma- Fe2O3@SiO2 Core Shell Nanoparticles: When the Coating Matters. Journal of Physical Chemistry C 2012, 116 (3), 2285-2291.

Pinho, S. L. C.; Faneca, H.; Geraldes, C.; Rocha, J.; Carlos, L. D.; Delville, M. H., Silica Nanoparticles for Bimodal MRI-Optical Imaging by Grafting Gd3+and Eu3+/Tb3+Complexes. European Journal of Inorganic Chemistry 2012, (16), 2828-2837.

Pinto, S. M. A.; Neves, A. C. B.; Calvete, M. J. F.; Abreu, A. R.; Rosado, M. T. S.; Costa, T.; Burrows, H. D.; Pereira, M. M., Metalloporphyrin triads: Synthesis and photochemical characterization. Journal of Photochemistry and Photobiology a- Chemistry 2012, 242, 59-66.

Pires, S. M. G.; Simoes, M. M. Q.; Santos, I.; Rebelo, S. L. H.; Pereira, M. M.; Neves, M.; Cavaleiro, J. A. S., Biomimetic oxidation of organosulfur compounds with hydrogen peroxide catalyzed by manganese porphyrins. Applied Catalysis a-General 2012, 439, 51-56.

Ramos, M. L.; Justino, L. L. G.; Salvador, A. I. N.; de Sousa, A. R. E.; Abreu, P. E.; Fonseca, S. M.; Burrows, H. D., NMR, DFT and luminescence studies of the complexation of Al(III) with 8-hydroxyquinoline-5-sulfonate. Dalton Transactions 2012, 41 (40), 12478-12489.

Ramos, C. I. V.; Santana-Marques, M. G.; Ferrer-Correia, A. J.; Barata, J. F. B.; Tome, A. C.; Neves, M.; Cavaleiro, J. A. S.; Abreu, P. E.; Pereira, M. M.; Pais, A., Differentiation of aminomethyl corrole isomers by mass spectrometry. Journal of Mass Spectrometry 2012, 47 (4), 516-522.

Ramos, A.; Pereira, A.; Cabrita, A. S.; Silva, F. C. E., Effects of the food contaminant semicarbazide on testicular morphology of juvenile Wistar rats. Arquivo Brasileiro De Medicina Veterinaria E Zootecnia 2012, 64 (3), 781-785.

Ramos, A.; Pereira, A.; Cabrita, A. S.; Silva, F. C. E., Effects of semicarbazide on skeleton of growing Wistar rats. Arquivo Brasileiro De Medicina Veterinaria E Zootecnia 2012, 64 (2), 499-504

Reva, I.; Nowak, M. J.; Lapinski, L.; Fausto, R., UV-Induced Amino -> Imino Hydrogen-Atom Transfer in 1-Methylcytosine. Journal of Physical Chemistry B 2012, 116 (19), 5703-5710.

Reva, I.; Nowak, M. J.; Lapinski, L.; Fausto, R., Spontaneous tunneling and near- infrared-induced interconversion between the amino-hydroxy conformers of cytosine. Journal of Chemical Physics 2012, 136 (6).

Reva, I.; Almeida, B.; Lapinski, L.; Fausto, R., UV-induced photoisomerization of maleic hydrazide. Journal of Molecular Structure 2012, 1025, 74-83.

Ribeiro, A. C. F.; Sobral, A.; Santos, C.; Lobo, V. M. M.; Cabral, A.; Veiga, F. J. B.; Esteso, M. A., Calculations of Diffusion Coefficients of Iron Salts in Aqueous Solutions at 298.15 K: A Useful Tool for the Knowledge of the Structure of these Systems. Acta Chimica Slovenica 2012, 59 (2), 353-358.

Ribeiro, A. C. F.; Barros, M. C. F.; Verissimo, L. M. P.; Santos, C.; Cabral, A.; Gaspar, G. D.; Esteso, M. A., Diffusion coefficients of paracetamol in aqueous solutions. Journal of Chemical Thermodynamics 2012, 54, 97-99.

Ribeiro, A. C. F.; Santos, C.; Murtinho, D. B.; Lobo, V. M. M.; Valente, A. J. M., Diffusion coefficients of bolaform alkane-1,n-bis(trimethylammonium bromide) surfactants. Journal of Chemical Thermodynamics 2012, 50, 89-93.

Rondao, R.; de Melo, J. S.; Schaberle, F. A.; Voss, G., Excited state characterizationof a polymeric indigo. Physical Chemistry Chemical Physics 2012, 14 (5), 1778-1783.

Rondao, R.; de Melo, J. S.; Melo, M. J.; Parola, A. J., Excited-State Isomerization of Leuco Indigo. Journal of Physical Chemistry A 2012, 116 (11), 2826-2832.

Salvador, J. A. R.; Moreira, V. M.; Pinto, R. M. A.; Leal, A. S.; Paixao, J. A., Efficient oxidation of oleanolic acid derivatives using magnesium bis(monoperoxyphthalate) hexahydrate (MMPP): A convenient 2-step procedure towards 12-oxo-28-carboxylic acid derivatives. Beilstein Journal of Organic Chemistry 2012, 8, 164-169.

Salvador, J. A. R.; Silvestre, S. M.; Moreira, V. M., Recent Developments in Oxidative Processes in Steroid Chemistry. Current Organic Chemistry 2012, 16 (10), 1243-1276.

Santhiya, D.; Dias, R. S.; Dutta, S.; Das, P. K.; Miguel, M. G.; Lindman, B.; Maiti, S., Kinetic Studies of Amino Acid-Based Surfactant Binding to DNA. Journal of Physical Chemistry B 2012, 116 (20), 5831-5837.

Santos, C.; Esteso, M. A.; Sartorio, R.; Ortona, O.; Sobral, A. J. N.; Arranja, C. T.; Lobo, V. M. M.; Ribeiro, A. C. F., A Comparison between the Diffusion Properties of Theophylline/beta-Cyclodextrin and Theophylline/2-Hydroxypropyl-beta-Cyclodextrin in Aqueous Systems. Journal of Chemical and Engineering Data 2012, 57 (7), 1881-1886.

Santos, B. S.; Nunes, S. C. C.; Pais, A.; Melo, T., Chiral spiro-beta-lactams from 6- diazopenicillanates. Tetrahedron 2012, 68 (19), 3729-3737.

Serra, A. C.; Gonsalves, A. M. D.; Laranjo, M.; Abrantes, A. M.; Goncalves, A. C.; Sarmento-Ribeiro, A. B.; Botelho, M. F., Synthesis of new 2-galactosylthiazolidine-4- carboxylic acid amides. Antitumor evaluation against melanoma and breast cancer cells. European Journal of Medicinal Chemistry 2012, 53, 398-402.

Silva, S. M. C.; Hu, L. S.; Sousa, J. J. S.; Pais, A.; Michniak-Kohn, B. B., A combination of nonionic surfactants and iontophoresis to enhance the transdermal drug delivery of ondansetron HCl and diltiazem HCl. European Journal of Pharmaceutics and Biopharmaceutics 2012, 80 (3), 663-673.

Silva, M.; Calvete, M. J. F.; Goncalves, N. P. F.; Burrows, H. D.; Sarakha, M.; Fernandes, A.; Ribeiro, M. F.; Azenha, M. E.; Pereira, M. M., Zinc(II) phthalocyanines immobilized in mesoporous silica Al-MCM-41 and their applications in photocatalytic degradation of pesticides. Journal of Hazardous Materials 2012, 233, 79-88.

Simoes, S. M. N.; Veiga, F.; Torres-Labandeira, J. J.; Ribeiro, A. C. F.; Sandez-Macho, M. I.; Concheiro, A.; Alvarez-Lorenzo, C., Syringeable Pluronic-alpha-cyclodextrin supramolecular gels for sustained delivery of vancomycin. European Journal of Pharmaceutics and Biopharmaceutics 2012, 80 (1), 103-112.

Simoes, A. V. C.; Adamowicz, A.; Dabrowski, J. M.; Calvete, M. J. F.; Abreu, A. R.; Stochel, G.; Arnaut, L. G.; Pereira, M. M., Amphiphilic meso(sulfonate ester fluoroaryl)porphyrins: refining the substituents of porphyrin derivatives for phototherapy and diagnostics. Tetrahedron 2012, 68 (42), 8767-8772.

Sousa, C. M.; Pina, J.; de Melo, J. S.; Berthet, J.; Delbaere, S.; Coelho, P. J., Synthesis of a Photochromic Fused 2H-Chromene Capable of Generating a Single Coloured Species. European Journal of Organic Chemistry 2012, (9), 1768-1773.

Sousa, T.; Carvalheiro, H.; Ladeirinha, A. F.; Alarcao, A.; Cabrita, A. S.; Carvalho, L.; Souto-Carneiro, M. In Deficient production of reactive oxygen species leads to a chronic DSS-induced colitis in Ncf1-deficient B10.Q mice, Immunology, Sep; 2012; pp

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2011

Abreu, P. E.; Marques, J. M. C.; Pereira, F. B., Electronic structure calculations on the Ar-C6H12 interaction: Application to the microsolvation of the chair conformer. Computational and Theoretical Chemistry 2011, 975, 83-91. 10.1016/j.comptc.2011.02.014

Almeida, M. M.; Prudente, F. V.; Fellows, C. E.; Marques, J. M. C.; Pereira, F. B., Direct fit of spectroscopic data of diatomic molecules by using genetic algorithms: II. The ground state of RbCs. Journal of Physics B-Atomic Molecular and Optical Physics 2011, 44 (22), 225102. 10.1088/0953-4075/44/22/225102

Almeida, J. . A. S.; Faneca, H.; Carvalho, R. A.; Marques, E. F.; Pais, A. A. C. C., Dicationic Alkylammonium Bromide Gemini Surfactants. Membrane Perturbation and Skin Irritation. Plos One 2011, 6 (11), e26965. 10.1371%2Fjournal.pone.0026965

Almeida, J. A. S.; Pinto, S. P. R.; Wang, Y.; Marques, E. F.; Pais, A. A. C. C., Structure and order of DODAB bilayers modulated by dicationic gemini surfactants. Physical Chemistry Chemical Physics 2011, 13 (30), 13772-13782. 10.1039/c1cp20477g

Almeida, J. A. S.; Bastos, M.; Loura, L. M. S. In Dependence on membrane composition and amino acid sequence of antimicrobial peptides activity. A molecular dynamics simulation study, European Biophysics Journal with Biophysics Letters, Aug; 2011; pp 100-100.

Almeida, A. R.; Peixoto, A. F.; Calvete, M. J. F.; Gois, P. M. P.; Pereira, M. M., Rhodium(I) N-Heterocyclic Carbene Complexes as Catalysts for Hydroformylation of Olefins: An Overview. Current Organic Synthesis 2011, 8 (5), 764-775

Angelescu, D. G.; Nylander, T.; Piculell, L.; Linse, P.; Lindman, B. r.; Tropsch, J. r.; Detering, J. r., Adsorption of Branched-Linear Polyethyleneimine–Ethylene Oxide Conjugate on Hydrophilic Silica Investigated by Ellipsometry and Monte Carlo Simulations. Langmuir 2011, 27 (16), 9961-9971. 10.1021/la2017209

Antunes, F. E.; Gentile, L.; Rossi, C. O.; Tavano, L.; Ranieri, G. A., Gels of Pluronic F127 and nonionic surfactants from rheological characterization to controlled drug permeation. Colloids and Surfaces B-Biointerfaces 2011, 87 (1), 42-48. 10.1016/j.colsurfb.2011.04.033

Antunes, F. E.; Alves, L.; Duarte, C.; Lindman, B.; Klotz, B.; Bottcher, A.; Haake, H. M., Ionization by pH and Anionic Surfactant Binding Gives the Same Thickening Effects of Crosslinked Polyacrylic Acid Derivatives. Journal of Dispersion Science and Technology 2012, 33 (9), 1368-1372. 10.1080/01932691.2011.605339

Aslund, I.; Medronho, B.; Topgaard, D.; Soderman, O.; Schmidt, C., Homogeneous length scale of shear-induced multilamellar vesicles studied by diffusion NMR. Journal of Magnetic Resonance 2011, 209 (2), 291-299. 10.1016/j.jmr.2011.01.024

Bilalov, A.; Olsson, U.; Lindman, B., DNA-lipid self-assembly: phase behavior and phase structures of a DNA-surfactant complex mixed with lecithin and water. Soft Matter 2011, 7 (2), 730-742. 10.1039/c0sm00650e.

Brigas, A. F.; Rosa da Costa, A. M.; Serra, A. C.; Pires, C., Photosensitizers for photodynamic therapy: One pot heterogeneous catalytic transfer reduction ofporphyrins. Journal of Pharmacy And Bioallied Sciences 2011, 87, 294-297. 10.4103/0975-7406.80770,

Camacho, R.; Pereira, M.; Santos Costa, V.; Fonseca, N. A.; Adriano, C.; Simoes, C. J. V.; Brito, R. M. M., A relational learning approach to structure-activity relationships in drug design toxicity studies. Journal of Integrative Bioinformatics 2011, 8 (3), 182. 10.2390/biecoll-jib-2011-182.

Cardoso, A. M. S.; Faneca, H.; Almeida, J. A. S.; Pais, A. A. C. C.; Marques, E. F.; Pedroso de Lima, M. C.; Jurado, A. S., Gemini surfactant dimethylene-1,2- bis(tetradecyldimethylammonium bromide)-based gene vectors: A biophysical approach to transfection efficiency. Biochimica Et Biophysica Acta-Biomembranes 2011, 1808 (1), 341-351. 10.1016/j.bbamem.2010.09.026.

Cardoso, R. M. S.; Martins, P. A. T.; Gomes, F.; Doktorovova, S.; Vaz, W. L. C.; Moreno, M. J., Chain-Length Dependence of Insertion, Desorption, and Translocation of a Homologous Series of 7-Nitrobenz-2-oxa-1,3-diazol-4-yl-Labeled Aliphatic Amines in Membranes. Journal of Physical Chemistry B 2011, 115 (33), 10098-10108. 10.1021/jp203429s.

Cardoso, A. L.; Nunes, R. M. D.; Arnaut, L. G.; Melo, T., Synthesis of Pyrroles in Supercritical Carbon Dioxide: Formal [3+2] Cycloaddition of 2-Benzoyl-Aziridines and Allenoates. Synthesis-Stuttgart 2011, (21), 3516-3522. 10.1055/s-0030-1260209.

Carmen Moran, M.; Graca Miguel, M.; Lindman, B., DNA gel particles from single and double-tail surfactants: supramolecular assemblies and release characteristics. Soft Matter 2011, 7 (5), 2001-2010. 10.1039/c0sm00988a.

Carrilho, R. M. B.; Abreu, A. R.; Pereira, M. M.; Rodrigues, V. H., 2,2 '- Bis(methoxymethoxy)-3-methyl-1,1 '-binaphthyl. Acta Crystallographica Section E- Structure Reports Online 2011, 67, O2370-U591. 10.1107/s1600536811031722.

Carvalho, R. A.; Correia, H. A.; Valente, A. J. M.; Soderman, O.; Nilsson, M., The effect of the head-group spacer length of 12-s-12 gemini surfactants in the host-guest association with beta-cyclodextrin. Journal of Colloid and Interface Science 2011, 354 (2), 725-732. 10.1016/j.jcis.2010.11.024.

Castro, R. A. E.; Ribeiro, J. D. B.; Maria, T. M. R.; Silva, M. R.; Yuste-Vivas, C.; Canotilho, J.; Eusebio, M. E. S., Naproxen Cocrystals with Pyridinecarboxamide Isomers. Crystal Growth & Design 2011, 11 (12), 5396-5404. 10.1021/cg2009946.

Costa, D.; Valente, A. J. M.; Graca Miguel, M.; Queiroz, J., Gel Network Photodisruption: A New Strategy for the Codelivery of Plasmid DNA and Drugs. Langmuir 2011, 27 (22), 13780-13789. 10.1021/la2026285.

Costa, D.; Valente, A. J. M.; Graca Miguel, M.; Lindman, B., Light triggered release of solutes from covalent DNA gels. Colloids and Surfaces a-Physicochemical and Engineering Aspects 2011, 391 (1-3), 80-87. 10.1016/j.colsurfa.2011.03.046.

Costa, D.; Valente, A. J. M.; Miguel, M. G. a.; Queiroz, J. o., Gel Network Photodisruption: A New Strategy for the Codelivery of Plasmid DNA and Drugs. Langmuir 2011, 27 (22), 13780-13789. 10.1021/la2026285.

Coutinho, A.; Loura, L. M. S.; Prieto, M., FRET studies of lipid-protein aggregates related to amyloid-like fibers. Journal of Neurochemistry 2011, 116 (5), 696-701. 10.1111/j.1471-4159.2010.07000.x.

Dabrowski, J. M.; Urbanska, K.; Arnaut, L. G.; Pereira, M. M.; Abreu, A. R.; Simoes, S.; Stochel, G., Biodistribution and Photodynamic Efficacy of a Water-Soluble, Stable, Halogenated Bacteriochlorin against Melanoma. ChemMedChem 2011, 6 (3), 465-475. 10.1002/cmdc.201000524.

Dabrowski, J. M.; Krzykawska, M.; Arnaut, L. G.; Pereira, M. M.; Monteiro, C. J. P.; Simoes, S.; Urbanska, K.; Stochel, G., Tissue Uptake Study and Photodynamic Therapy of Melanoma-Bearing Mice with a Nontoxic, Effective Chlorin. Chemmedchem 2011, 6 (9), 1715-1726. 10.1002/cmdc.201100186.

Davies, M. L.; Douglas, P.; Burrows, H. D.; Miguel, M. D.; Douglas, A., Effect of Aggregation on the Photophysicai Properties of Three Fluorene-Phenylene-Based Cationic Conjugated Polyelectrolytes. Journal of Physical Chemistry B 2011, 115 (21), 6885-6892. 10.1021/jp202446a.

Dias, R. S.; Linse, P.; Pais, A. A. C. C., Stepwise Disproportionation in Polyelectrolyte

Complexes. Journal of Computational Chemistry 2011, 32 (12), 2697-2707. 10.1002/jcc.21851.

Dinis, M.; Trigo, G.; Chaves, N.; Fonseca, A.; Ribeiro, A.; Tavares, D.; Cabrita, A. M. S.; Ferreira, P., rEnolase Maternal Immunization Confers Caries Protection on Offspring. Journal of Dental Research 2011, 90 (3), 325-330. 10.1177/0022034510391793.

do Canto, A.; Carvalho, A. J. P.; Ramalho, J. P. P.; Loura, L. M. S., Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes. Biophysical Chemistry 2011, 159 (2-3), 275-286. 10.1016/j.bpc.2011.08.001.

dos Santos, S.; Piculell, L.; Karlsson, O. J.; Miguel, M. d. G., Phase diagrams come alive: understanding how to create, destroy or change ordered surfactant structures by polymerizing the counterions. Soft Matter 2011, 7 (5), 1830-1839. 10.1039/c0sm00958j.

dos Santos, S.; Lundberg, D.; Piculell, L., Responsive and evolving mixtures of a hydrolyzing cationic surfactant and oppositely charged polyelectrolytes. Soft Matter

2011, 7 (12), 5540-5544. 10.1039/c1sm05353a.

Elatmani, K.; Afanga, H.; Qourzal, S.; Assabbane, A.; Ait-Ichou, Y.; Costa Pereira, J.; Azenha, E., Dégradation photocatalytique de deux insecticides Lannate et Carbaryl sur TiO2 supporté. Annales de Chimie - Science des Matériaux 2011, 37 (5), 269-282.

Evora, A. O. L.; Castro, R. A. E.; Maria, T. M. R.; Rosado, M. T. S.; Silva, M. R.; Beja, A. M.; Canotilho, J.; Eusebio, M. E. S., Pyrazinamide-Diflunisal: A New Dual-Drug Co-Crystal. Crystal Growth & Design 2011, 11 (11), 4780-4788. 10.1021/cg200288b.

Fajardo, A. R.; Lopes, L. C.; Valente, A. J. M.; Rubira, A. F.; Muniz, E. C., Effect of stoichiometry and pH on the structure and properties of Chitosan/Chondroitin sulfate complexes. Colloid and Polymer Science 2011, 289 (15-16), 1739-1748. 10.1007/s00396-011-2497-6.

Farinha, R.; Cabral, A.; Machado, V.; Nolasco, V.; Cabrita, A. M. S. In Histomorphometric characterization of thyroid follicles' areas on experimental hyperthyroidism and acupuncture treatment, Faseb Journal, Apr; 2011.

Filipe, H. A. L.; Moreno, M. J.; Loura, L. M. S., Interaction of 7-Nitrobenz-2-oxa-1,3- diazol-4-yl-Labeled Fatty Amines with 1-Palmitoyl, 2-Oleoyl-sn-glycero-3- phosphocholine Bilayers: A Molecular Dynamics Study. Journal of Physical Chemistry B 2011, 115 (33), 10109-10119. 10.1021/jp203532c.

Fonseca, A. C.; Jarmelo, S.; Silva, M. R.; Beja, A. M. M.; Fausto, R.; Gil, M. H.; Simoes, P. N., Study of N-alpha-benzoyl-L-argininate ethyl ester chloride, a model compound for poly(ester amide) precursors: X-ray diffraction, infrared and Raman spectroscopies, and quantum chemistry calculations. Journal of Chemical Physics 2011, 134 (12), 124505. 124505 10.1063/1.3565966.

Frija, L. M. T.; Reva, I.; Ismael, A.; Coelho, D. V.; Fausto, R.; Cristiano, M. L. S., Sigmatropic rearrangements in 5-allyloxytetrazoles. Organic & Biomolecular Chemistry 2011, 9 (17), 6040.

Galvao, B. R. L.; Varandas, A. J. C., Ab Initio Based Double-Sheeted DMBE Potential Energy Surface for N-3((2)A '') and Exploratory Dynamics Calculations. Journal of Physical Chemistry A 2011, 115 (44), 12390-12398.

Galvao, B. R. L.; Corzo-Espinoza, J. A.; Caridade, P. J. S. B.; Varandas, A. J. C., Quasiclassical Trajectory Study of the Rotational Distribution for the O + NO(v=0) Fundamental Vibrational Excitation. International Journal of Chemical Kinetics 2011, 43 (7), 345-352.

Gerbino, E.; Mobili, P.; Tymczyszyn, E.; Fausto, R.; Gomez-Zavaglia, A., FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions. Journal of Molecular Structure 2011, 987 (1-3), 186-192. 10.1016/j.molstruc.2010.12.012.

Gomez-Zavaglia, A.; Reva, I.; Frija, L.; Cristiano, M. L. S.; Fausto, R., Photochemistry of Tetrazole Derivatives in Cryogenic Rare Gas Matrices. ChemInform Abstract 2011, 42 (24). 10.1002/chin.201124223.

Gomez-Zavaglia, A.; Ismael, A.; Cabral, L. I. L.; Kaczor, A.; Paixao, J. A.; Fausto, R.; Cristiano, M. L. S., Structural investigation of nitrogen-linked saccharinate-tetrazole. Journal of Molecular Structure 2011, 1003 (1-3), 103-110. 10.1016/j.molstruc.2011.07.044

Hankel, M.; Smith, S. C.; Varandas, A. J. C., Quantum calculations for the S(D-1) + H-2 reaction employing the ground adiabatic electronic state. Physica Scripta 2011, 84 (2), 028102.

Hankel, M.; Smith, S. C.; Varandas, A. J. C., Anatomy of the S(D-1)+H-2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations. Physical Chemistry Chemical Physics 2011, 13 (30), 13645-13655.

Henriques, E. S.; Brito, R. M. M.; Soares, H.; Ventura, S.; de Oliveira, V. L.; Parkhouse, R. M. E., Modeling of the Toll-like receptor 3 and a putative Toll-like receptor 3 antagonist encoded by the African swine fever virus. Protein Science 2011, 20 (2), 247-255. 10.1002/pro.554.

Inacio, A. S.; Mesquita, K. A.; Baptista, M.; Ramalho-Santos, J.; Vaz, W. L. C.; Vieira, O. V., In Vitro Surfactant Structure-Toxicity Relationships: Implications for Surfactant Use in Sexually Transmitted Infection Prophylaxis and Contraception. Plos One 2011, 6 (5), e19850. 10.1371/journal.pone.0019850.

Jesus, A. J. L.; Rosado, M. T. S.; Redinha, J. S., The structure of mono- and di-amino derivatives of cyclohexane: Energetic and Natural Bond Orbital approaches. Computational and Theoretical Chemistry 2011, 964 (1-3), 32-39. 10.1016/j.comptc.2010.11.031.

Jesus, A. J. L.; Redinha, J. S., Conformational study of charged cyclohexyldiamines and their gas phase acid-base properties. Structural Chemistry 2011, 22 (5), 999-1006. 10.1007/s11224-011-9786-z.

Jesus, A. J. L.; Redinha, J. S., Charge-Assisted Intramolecular Hydrogen Bonds in Disubstituted Cyclohexane Derivatives. Journal of Physical Chemistry A 2011, 115 (48), 14069-14077. 10.1021/jp206193a.

Joseph, S.; Caridade, P. J. S. B.; Varandas, A. J. C., Quasiclassical Trajectory Study of the C(D-1)+H-2 Reaction and Isotopomeric Variants: Kinetic Isotope Effect and CD/CH Branching Ratio. Journal of Physical Chemistry A 2011, 115 (27), 7882-7890.

Jose Tapia, M.; Monteserin, M.; Burrows, H. D.; Sergio Seixas de Melo, J.; Pina, J.; Castro, R. A. E.; Garcia, S.; Estelrich, J., beta-Phase Formation of Poly(9,9- dioctylfluorene) Induced by Liposome Phospholipid Bilayers. Journal of Physical Chemistry B 2011, 115 (19), 5794-5800. 10.1021/jp2010666.

Justino, L. L. G.; Luisa Ramos, M.; Knaapila, M.; Marques, A. T.; Kudla, C. J.; Scherf, U.; Almasy, L.; Schweins, R.; Burrows, H. D.; Monkman, A. P., Gel Formation and Interpolymer Alkyl Chain Interactions with Poly(9,9-dioctylfluorene-2,7-diyl) (PFO) in Toluene Solution: Results from NMR, SANS, DFT, and Semiempirical Calculations and Their Implications for PFO beta-Phase Formation. Macromolecules 2011, 44 (2), 334-343. 10.1021/ma102235r.

Kaczor, A.; Reva, I.; Warszycki, D.; Fausto, R., UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study. Journal of Photochemistry and Photobiology a-Chemistry 2011, 222 (1), 1-9. 10.1016/j.jphotochem.2011.02.007.

Knaapila, M.; Evans, R. C.; Gutacker, A.; Garamus, V. M.; Szekely, N. K.; Scherf, U.; Burrows, H. D., Conjugated polyelectrolyte (CPE) poly 3- 6-(N- methylimidazolium)hexyl -2,5-thiophene complexed with aqueous sodium dodecylsulfate amphiphile: synthesis, solution structure and "surfactochromic" properties. Soft Matter 2011, 7 (15), 6863-6872. 10.1039/c1sm05492a.

Kus, N.; Ai, Y. J.; Fang, W. H.; Fausto, R., Photorotamerization of matrix-isolated acrylic acid revisited. Journal of Chemical Physics 2011, 134 (15). 154306 10.1063/1.3580280.

Lapinski, L.; Reva, I.; Nowak, M. J.; Fausto, R., Five isomers of monomeric cytosine and their interconversions induced by tunable UV laser light. Physical Chemistry Chemical Physics 2011, 13 (20), 9676-9684. 10.1039/c0cp02812f.

Lara, M.; Jambrina, P. G.; Varandas, A. J. C.; Launay, J. M.; Aoiz, F. J., On the role of dynamical barriers in barrierless reactions at low energies: S(D-1)+H-2. Journal of Chemical Physics 2011, 135 (13), 134313.

Llanio-Trujillo, J. L.; Marques, J. M. C.; Pereira, F. B., An Evolutionary Algorithm for the Global Optimization of Molecular Clusters: Application to Water, Benzene, and Benzene Cation. Journal of Physical Chemistry A 2011, 115 (11), 2130-2138. 10.1021/jp1117695.

Lopes, S.; Nunes, C. M.; Gomez-Zavaglia, A.; Melo, T.; Fausto, R., Photochemistry and Vibrational Spectra of Matrix-Isolated Methyl 4-Chloro-5-phenylisoxazole-3- carboxylate. Journal of Physical Chemistry A 2011, 115 (7), 1199-1209. 10.1021/jp110705c.

Lopes, S. M. M.; Palacios, F.; Lemos, A.; Melo, T., Diels-Alder reactions of 3-(1H- tetrazol-5-yl)-nitrosoalkenes: synthesis of functionalized 5-(substituted)-1H-tetrazoles. Tetrahedron 2011, 67 (46), 8902-8909. 10.1016/j.tet.2011.09.051.

Lopes, S.; Nunes, C. M.; Gomez-Zavaglia, A.; Melo, T.; Fausto, R., Structure and photochemical behaviour of 3-azido-acrylophenones: a matrix isolation infrared spectroscopy study. Tetrahedron 2011, 67 (40), 7794-7804. 10.1016/j.tet.2011.07.084.

Loura, L. M. S.; Ramalho, J. P. P., Recent Developments in Molecular Dynamics Simulations of Fluorescent Membrane Probes. Molecules 2011, 16 (7), 5437-5452. 10.3390/molecules16075437.

Lundberg, D.; Stjerndahl, M., Hydrolysis of Surfactants Containing Ester Bonds: Modulation of Reaction Kinetics and Important Aspects of Surfactant Self-Assembly. Journal of Chemical Education 2011, 88 (9), 1274-1277. 10.1021/ed100903w.

Lundberg, D.; Faneca, H.; Moran, M. D. C.; Pedroso De Lima, M. C.; Miguel, M. D. G.; Lindman, B., Inclusion of a single-tail amino acid-based amphiphile in a lipoplex formulation: Effects on transfection efficiency and physicochemical properties. Molecular Membrane Biology 2011, 28 (1), 42-53. 10.3109/09687688.2010.508879.

Lundberg, D.; Carnerup, A. M.; Janiak, J.; Schillen, K.; Miguel, M. d. G.; Lindman, B., Size and morphology of assemblies formed by DNA and lysozyme in dilute aqueous mixtures. Physical Chemistry Chemical Physics 2011, 13 (8), 3082-3091. 10.1039/c0cp01220c.

Madeira, C.; Loura, L. M. S.; Aires-Barros, M. R.; Prieto, M., Fluorescence methods for lipoplex characterization. Biochimica Et Biophysica Acta-Biomembranes 2011, 1808 (11), 2694-2705. 10.1016/j.bbamem.2011.07.020.

Maia, J.; Vazao, H.; Pedroso, D.; Jesus, C.; Brito, R. M. M.; Graos, M.; Gil, H.; Ferreira, L. In DUAL PRO-ANGIOGENIC THERAPY BASED ON THE RELEASE OF VEGF165 AND ENDOTHELIAL CELLS DERIVED FROM UMBILICAL CORD STEM CELLS IN A HYBRID NETWORK, International Journal of Artificial Organs, Aug; 2011; pp 646-647.

Martins, P. A. T.; Velazquez-Campoy, A.; Vaz, W. L. C.; Moreno, M. J. In Thermodynamics of Chlorpromazine Association with Lipid Bilayers, Biophysical Journal, Feb; 2011; pp 505-505.

Marzec, K. M.; Reva, I.; Fausto, R.; Proniewicz, L. M., Comparative Matrix Isolation Infrared Spectroscopy Study of 1,3-and 1,4-Diene Monoterpenes (alpha-Phellandrene and gamma-Terpinene). Journal of Physical Chemistry A 2011, 115 (17), 4342-4353. 10.1021/jp2013122.

Medeiros, J. A. D.; Goncalves, T.; Boyanova, L.; Pereira, M. I. D.; de Carvalho, J.; Pereira, A. M. D.; Cabrita, A. M. S., Evaluation of Helicobacter pylori eradication bytriple therapy plus Lactobacillus acidophilus compared to triple therapy alone. European Journal of Clinical Microbiology & Infectious Diseases 2011, 30 (4), 555-559. 10.1007/s10096-010-1119-4.

Medronho, B.; Brown, J.; Miguel, M. G.; Schmidt, C.; Olsson, U.; Galvosas, P., Planar lamellae and onions: a spatially resolved rheo-NMR approach to the shear-induced structural transformations in a surfactant model system. Soft Matter 2011, 7 (10), 4938-4947. 10.1039/c0sm01323d.

Melo, T., Allenes as building blocks in heterocyclic chemistry. Monatshefte Fur Chemie 2011, 142 (7), 681-697. 10.1007/s00706-011-0505-7.

Mendes, S.; Camacho, F.; Silva, T.; Calado, C. R. C.; Serra, A. C.; Gonsalves, A.; Roxo-Rosa, M., A Nonionic Porphyrin as a Noninterfering DNA Antibacterial Agent. Photochemistry and Photobiology 2011, 87 (6), 1395-1404. 10.1111/j.1751-1097.2011.00984.x.

Mendonca, P. V.; Serra, A. C.; Coelho, J. F. J.; Popov, A. V.; Guliashvili, T., Ambient temperature rapid ATRP of methyl acrylate, methyl methacrylate and styrene in polar solvents with mixed transition metal catalyst system. European Polymer Journal 2011, 47 (7), 1460-1466. 10.1016/j.eurpolymj.2011.03.014.

Mondal, T.; Varandas, A. J. C., The Jahn-Teller effect in the triply degenerate electronic state of methane radical cation. Journal of Chemical Physics 2011, 135 (17), 174304.

Moreira, V. M.; Salvador, J. A. R.; Beja, A. M.; Paixao, J. A., The reaction of azoles with 17-chloro-16-formylandrosta-5, 16-dien-3 beta-yl-acetate: Synthesis and structural elucidation of novel 16-azolylmethylene-17-oxoandrostanes. Steroids 2011, 76 (6), 582-587. 10.1016/j.steroids.2011.02.009.

Mota, V. C.; Caridade, P. J. S. B.; Varandas, A. J. C., Toward the Modeling of the NO2((2)A '') Manifold. International Journal of Quantum Chemistry 2011, 111 (14), 3776-3785.

Nabais, C. R. J. O. D.; Heron, B. M.; de Sousa, H. C.; Gil, M. H.; Sobral, A. J. F. N., Synthesis and Characterization of Co-polymers Based on Methyl Methacrylate and 2- Hexyl Acrylate Containing Naphthopyrans for a Light-Sensitive Contact Lens. Journal of Biomaterials Science-Polymer Edition 2011, 22 (1-3), 139-152. 10.1163/092050609x12580984253769.

Natu, M. V.; Gaspar, M. N.; Ribeiro, C. A. F.; Cabrita, A. M.; de Sousa, H. C.; Gil, M. H., In vitro and in vivo evaluation of an intraocular implant for glaucoma treatment. International Journal of Pharmaceutics 2011, 415 (1-2), 73-82. 10.1016/j.ijpharm.2011.05.047.

Nunes, C. M.; Reva, I.; Melo, T.; Fausto, R.; Solomek, T.; Bally, T., The Pyrolysis of Isoxazole Revisited: A New Primary Product and the Pivotal Role of the Vinylnitrene. A Low-Temperature Matrix Isolation and Computational Study. Journal of the American Chemical Society 2011, 133 (46), 18911-18923. 10.1021/ja207717k.

Pagacz-Kostrzewa, M.; Reva, I. D.; Bronisz, R.; Giuliano, B. M.; Fausto, R.; Wierzejewska, M., Conformational Behavior and Tautomer Selective Photochemistry in Low Temperature Matrices: The Case of 5-(1H-Tetrazol-1-yl)-1,2,4-triazole. Journal of Physical Chemistry A 2011, 115 (22), 5693-5707. 10.1021/jp202925r.

Pereira, R. F. P.; Valente, A. J. M.; Fernandes, M.; Burrows, H. D., What drives the precipitation of long-chain calcium carboxylates (soaps) in aqueous solution? Physical Chemistry Chemical Physics 2012, 14 (20), 7517-7527. 10.1039/c2cp24152h.

Pereira, R. F. P.; Tapia, M. J.; Valente, A. J. M.; Evans, R. C.; Burrows, H. D.; Carvalho, R. A., On the flocculation and re-dissolution of trivalent lanthanide metal ions by sodium dodecyl sulfate in aqueous solutions. Journal of Colloid and Interface Science 2011, 354 (2), 670-676. 10.1016/j.jcis.2010.10.063.

Pereira, R. F. P.; Tapia, M. J.; Valente, A. J. M.; Burrows, H. D., Effect of Metal Ion Hydration on the Interaction between Sodium Carboxylates and Aluminum(III) or Chromium(III) Ions in Aqueous Solution. Langmuir 2012, 28 (1), 168-177. 10.1021/la2034164.

Pereira, R.; Rocha-Santos, T. A. P.; Antunes, F. E.; Rasteiro, M. G.; Ribeiro, R.; Goncalves, F.; Soares, A. M. V. M.; Lopes, I., Screening evaluation of the ecotoxicity and genotoxicity of soils contaminated with organic and inorganic nanoparticles: The role of ageing. Journal of Hazardous Materials 2011, 194, 345-354. 10.1016/j.jhazmat.2011.07.112.

Pereira, N. A. M.; Fonseca, S. M.; Serra, A. C.; Melo, T.; Burrows, H. D., [8 pi+2 pi] Cycloaddition of meso-Tetra- and 5,15-Diarylporphyrins: Synthesis and Photophysical Characterization of Stable Chlorins and Bacteriochlorins. European Journal of Organic Chemistry 2011, (20-21), 3970-3979. 10.1002/ejoc.201100465.

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