Publications

“Unraveling the Pivotal Role of Atropisomerism for Cellular Internalization”, C. Donohoe, F.A. Schaberle, F.M.S. Rodrigues, N.P.F. Gonçalves, C. J. Kingsbury, M. M. Pereira, M. O. Senge, L. C. Gomes-da-Silva, L.G. Arnaut, J. Am. Chem. Soc., 144 (2022) 15252-15265. https://doi.org/10.1021/jacs.2c05844

“Photodynamic disinfection of SARS-CoV-2 clinical samples using a methylene blue formulation”, C. S. Lobo, P. Rodrigues-Santos, D. Pereira, J. Núñez, J.C.D. Trêpa, D.L. Sousa, J. V. Lourenço, M.F. Coelho, L. Pereira de Almeida, J. Saraiva da Cunha, L.G. Arnaut, Photochem. Photobiol. Sci., 21 (2022) 1101–1109.

“IR-induced and Tunneling Reactions in Cryogenic Matrices: The (Incomplete) Story of a Successful Endeavor”, R. Fausto, Gulce O. Ildiz and C. M. Nunes, Chem. Soc. Rev., 51 (2022) 2853.

“Structure, Conformational Landscape and UV-induced Selective Rotamerization of 2-Aminoacetanilide”, A. L. B. Brito, L. L. G. Justino, B. Çatıkkaş, S. Lopes, G. O. Ildiz and R. Fausto, J. Photochem. Photobiol. A: Chemistry, 435 (2023) 114302.

“Imaging of photoacoustic-mediated permeabilization of giant unilamellar vesicles (GUVs)”, D.A. Pereira, A.D. Silva, P.A.T. Martins, A.P. Piedade, D. Martynowych, D. Veysset, M.J. Moreno, C. Serpa, K. A. Nelson, L.G. Arnaut, Sci. Rep., 11 (2021) 2775.

“Using Amyloid Autofluorescence as a Biomarker for Lysozyme Aggregation Inhibition”, C.S.H. Jesus, H.T. Soares, A.P. Piedade, L. Cortes, C. Serpa, Analyst, 146 (2021) 2383-2391.

“Spin-Forbidden Heavy-Atom Tunneling in the Ring-Closure of Triplet Cyclopentane-1,3-diyl”, L. P. Viegas, C. M. Nunes and R. Fausto, PCCP, 23 (2021) 5797. - Selected as “Hot article”.

“Switching on H-tunneling Through Conformation Control”, J. P. L. Roque, C. M. Nunes, L. P. Viegas, N. A. M. Pereira, T. M. D. V. Pinho and Melo, P. R. Schreiner and R. Fausto, J. Am. Chem. Soc. 143 (2021) 8266.

“Photoacoustic Generation of Intense and Broadband Ultrasound Pulses with Functionalized Carbon Nanotubes”, A.D. Silva, C.A. Henriques, D. Malva, M.J. F Calvete, M.M. Pereira, C. Serpa, L.G. Arnaut, Nanoscale, 12 (2020) 20831-20839.

“Color Polymorphism in Organic Crystals”, B. A. Nogueira, C. Castiglioni and R. Fausto, Comm. Chem. - Nature, 3 (2020) 34.

“Auxiliary Differential Diagnosis of Schizophrenia and Phases of Bipolar Disorder Based on the Blood Serum Raman Spectra”, G. O. Ildiz, S. Bayari, U. M. Aksoy, N. Yorgunere, H. Bulut, S. S. Yılmaz, G. Halimoğlu, H. Nur Kabuk, G. Yavuza and R. Fausto, J. Raman Spectrosc., 51 (2020) 2233.

“Photon Momentum Transfer at Water/Air Interfaces under Total Internal Reflection”, F.A. Schaberle, L.A. Reis, C. Serpa, L.G. Arnaut, New J. Phys., 21 (2019) 033013.

“Lipophilicity of bacteriochlorin-based photosensitizers as a determinant for PDT optimization through the modulation of the inflammatory mediators”, B. Pucelik, L.G. Arnaut, J.M. Dąbrowski, J. Cli. Med., 9 (2019) 8.

“Competitive Nitrogen versus Carbon Tunnelling”, C. M. Nunes, A. K. Eckhardt, I. Reva, R. Fausto and P. R. Schreiner, J. Am. Chem. Soc. 141 (2019) 14340.

“Conformational Isomerization Triggered by Vibrational Excitation of a Second Stretching Overtones”, C. M. Nunes, I. Reva and R. Fausto, PCCP, 21 (2019) 24993. – Selected as “Hot Article”.

“Higher activation barriers can lift exothermic rate restrictions in electron transfer and enable faster reactions”, K.K. Mentel, A. Serra, P.E. Abreu, L.G. Arnaut Nat. Commun., 9 (2018) 2903.

“One Peptide Reveals the Two Faces of α-Helix Unfolding-Folding Dynamics”, C.S.H. Jesus, P.F. Cruz, L.G. Arnaut, R.M.M. Brito, C. Serpa, J. Phys. Chem. B, 122 (2018) 3790-3800.

“Formic Acid Dimers in a Nitrogen Matrix”, S. Lopes, R. Fausto and L. Khriachtchev, J. Chem. Phys., 148 (2018) 034301.

“Controlled Light-driven Switching in 2-Thiobenzimidazole”, E. M. Brás and R. Fausto, J. Photochem. Photobiol. A: Chemistry, 357 (2018) 185.

“Properties of halogenated and sulfonated porphyrins relevant for the selection of photosensitizers in anticancer and antimicrobial therapies”, B. Pucelik, R. Paczyński, G. Dubin, M.M. Pereira, L.G. Arnaut, J.M. Dąbrowski, PLoS One 12 (2017) e0185984.

“Ultrafast dynamics of manganese (III), manganese (II), and free-base bacteriochlorin: is there time for photochemistry?”, F.A. Schaberle, A.R. Abreu, N.P.F. Goncalves, G.F.F. Sa, M.M. Pereira, L.G. Arnaut, Inorg. Chem., 56 (2016) 2677-2689.

“Photochemistry of 2-Formyl-Phenylnitrene: A Doorway to Heavy-Atom Tunneling of a Benzazirine to a Cyclic Ketenimine”, C. M. Nunes, I. Reva, S. Kozuch, R. J. McMahon and R. Fausto, J. Am. Chem. Soc., 139 (2017) 17649.

“Effects of the Matrix and Intramolecular Interactions on the Stability of the Higher-Energy Conformers of 2-Fluorobenzoic Acid”, N. Kuş and R. Fausto, J. Chem. Phys., 146 (2017) 124305.

“Assessment of lifetime resolution limits in time-resolved photoacoustic calorimetry vs. transducer frequencies: setting the stage for picosecond resolution”, F.A. Schaberle, F.A.M.G. Rego Filho, L.A. Reis, L.G. Arnaut, Photochem. Photobiol. Sci., 15 (2016), 204-210.

“In-situ Ultra-Fast Heat Deposition Does Not Perturb the Structure of Serum Albumin”, O.A. Chaves, C.S.H. Jesus, E.S. Henriques, R.M.M. Brito, C. Serpa, Photochem. Photobiol. Sci., 15 (2016) 1524-1535.

“Bond-Shift Isomers: The Co-existence of Allenic and Propargylic Phenylnitrile Imines”, C. M. Nunes, I. Reva, R. Fausto, D. Bégué and C. Wentrup, Chem. Comm., 51 (2015) 14712. – Selected for journal cover.

“Evidence of a Nitrene Tunneling Reaction: Spontaneous Rearrangement of 2-Carboxyaldehyde Phenylnitrene to Imino Ketene in Low-Temperature Matrices”, C. M. Nunes, S. N. Knezz, I. Reva, R. Fausto and R. J. NcMahon, J. Am. Chem. Soc., 138 (2016) 15287.

Dynamics of Radical Ion Pairs following Photoinduced Electron Transfer in Solvents with Low and Intermediate Polarities, Kamila K. Mentel , Rui M. D. Nunes , Carlos Serpa, Luis G. Arnaut, J. Phys. Chem. B, (2015) Article ASAP.

Three Conformers of 2-Furoic Acid: Structure Changes Induced with Near-IR Laser Light, A. Halasa, L. Lapinski, I. Reva, H. Rostkowska, R. Fausto, M. J. Nowak, J. Phys. Chem. A, 119 (2015) 1037-1047.

Unveiling the Eigen-Weller Ion Pair from the Excited State Proton Transfer Kinetics of 3-Chloro-4- Methyl-7-Hydroxycoumarin J. S. Seixas de Melo and A. L. Maçanita J. Phys. Chem. B, 119 (2015) 2604–2610.

Exploring Excited States of Pt(II) Diimine Catecholates for Photoinduced Charge Separation, P.A. Scattergood, P. Jesus, H. Adams, M. Delor, I.V. Sazanovich, H.D. Burrows, C. Serpa, J.A. Weinstein, J. Chem. Soc. Dalton Trans., (2015) Advance Article.

Structure and Photochemistry of a Saccharyl Thiotetrazole, A. Ismael, A. Borba, M. S. C. Henriques, J. A. Paixao, R. Fausto, M. L. S. Cristiano, J. Org. Chem., 80 (2015) 392-400.

Unexpected photophysical properties of conjugated, alternating indigo-fluorene copolymers, J. Pina, J. Seixas de Melo, A. Eckert, U. Scherf, J. Mat. Chem. A, 3 (2015) 6373-6382.

Photodynamic Therapy Efficacy Enhanced by Dynamics: The Role of Charge Transfer and Photostability in the Selection of Photosensitizers, L. G. Arnaut, M. M. Pereira, J. M. Dabrowski, E. F. F. Silva, F. A. Schaberle, A. R. Abreu,L. B. RochaM. M. Barsan, K. Urbanska, G. Stochel, C. M. A. Brett, Chem. Eur. J., 20 (2014) 5346-5357.

Near-infrared and ultraviolet induced isomerization of crotonic acid in N-2 and Xe cryomatrices: First observation of two high-energy trans C-O conformers and mechanistic insights, N. Kus, R. Fausto, J. Chem. Phys., 141 (2014) 234310.

The effect of polyaromatic hydrocarbons on the spectral and photophysical properties of diaryl-pyrrole derivatives: an experimental and theoretical study, João Pina, Daniela Pinheiro, Bruno Nascimento, Marta Piñeiro and J. Sérgio Seixas de Melo PCCP , 16 (2014) 18319-18326.

The effect of polyaromatic hydrocarbons on the spectral and photophysical properties of diaryl-pyrrole derivatives: an experimental and theoretical study, João Pina, Daniela Pinheiro, Bruno Nascimento, Marta Piñeiro and J. Sérgio Seixas de Melo PCCP , 16 (2014) 18319-18326.

Near-Infrared Laser-Induced Generation of Three Rare Conformers of Glycolic Acid, A. Halasa, L. Lapinski, I. Reva, H. Rostkowska, R. Fausto, M. J. Nowak, J. Phys. Chem. A, 118 (2014) 5626-5635.

Self-Assembly of Poly {1,4-phenylene-[9,9-bis(4-phenoxy-butylsulfonate)]fluorene-2,7-diyl} with Oppositely Charged Phenylenevinylene Oligoelectrolytes, Telma Costa, Ana T. Marques, J. Sergio Seixas de Melo, Alexander W. Thomas, Logan E. Garner, Ullrich Scherf, Guillermo C. Bazan, Hugh D. Burrows, J. Phys. Chem. B, 118 (2014) 613–623. 

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

Influence of Cage Confinement on the Photochemistry of Matrix-Isolated E-beta-Ionone: FT-IR and DFT Study, A. Kaczor, A I. Reva, R. Fausto, J. Phys. Chem. A, 117 (2013) 888-897.

Chain Length Dependent Excited-State Decay Processes of Diluted PF2/6 Solutions, João Pina, J. Sérgio Seixas de Melo, Niels Koenen and Ulli Scherf J. Phys. Chem. B, 117 (2013), 7370-7380.

From elementary reactions to chemical relevance in the photodynamic therapy of cancer, L. G. Arnaut, S. J. Formosinho, Pure Appl. Chem., 85 (2013) 1389-1403.

Near-IR laser generation of a high-energy conformer of L-alanine and the mechanism of its decay in a low-temperature nitrogen matrix, C. M. Nunes, L. Lapinski, R. Fausto, I. Reva, J. Chem. Phys., 138(2013) 125101.

Donor-Acceptor-Donor Thienyl/Bithienyl-Benzothiadiazole/Quinoxaline Model Oligomers: Experimental and Theoretical studies, João Pina, J. Seixas de Melo, D. Breusov, Ullrich Scherf Phys. Chem. Chem. Phys., 15 (2013) 15204 -15213. 

Combined Effects between Singlet Oxygen and Hydroxyl Radical in Photodynamic Therapy with Photostable Bacteriochlorins: Evidence from Intracellular Fluorescence and Increased Photodynamic Efficacy In Vitro. J.M. Dabrowski, L.G. Arnaut, M.M. Pereira, K. Urbanska, S. Simões, G. Stochel, L. Cortes, Free Radic Biol. Med., 52 (2012) 1188-1200.

UV-Laser Photochemistry of Isoxazole Isolated in a Low-Temperature Matrix. C.M. Nunes, I. Reva, T.M.V.D. Pinho e Melo, R. Fausto, J. Org.Chem., 77 (2012) 8723.

Excited-State Dynamics and Self-Organization of Poly(3-Hexylthiophene) (P3HT) in Solution and Thin Films. B. Ferreira, P.F. Silva, J. Sérgio Seixas de Melo, J. Pina, A. Maçanita, J. Phys. Chem. B, 116 (2012) 2347–2355.

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

Using Heavy Atom Rare Gas Matrix to Control the Reactivity of 4-Methoxybenzaldehyde - A Comparison with Benzaldehyde. N. Kuş, A. Sharma, I. Reva, L. Lapinski, R. Fausto, J. Chem. Phys., 136 (2012) 144509.

Excited State Isomerization of Leuco Indigo. R. Rondão, J. Sérgio Seixas de Melo, M.J. Melo, A.J. Parola, J. Phys. Chem. A, 116 (2012) 2826–2832.

Design of Porphyrin-Based Photosensitizers for Photodynamic Therapy. L.G. Arnaut, Adv. Inorg. Chem., 63 (2011) 187-234.

Pyrolysis of Isoxazole Revisited: A New Primary Product and the Pivotal Role of the Vinylnitrene. A Low-Temperature Matrix Isolation and Computational Study. C.M. Nunes, I. Reva, T.M.V. Pinho e Melo, R. Fausto, T. Bally, J. Am. Chem. Soc., 133 (2011) 18911.

Preventing the formation of the long-lived coloured transoid-trans photoisomer in photochromic benzopyrans. C.M. Sousa, J. Pina, J. Seixas de Melo, J. Berthet, S. Delbaere, P.J. Coelho, Org. Lett.,13 (2011) 4040-4043.

Preventing the formation of the long-lived coloured transoid-trans photoisomer in photochromic benzopyrans. C.M. Sousa, J. Pina, J. Seixas de Melo, J. Berthet, S. Delbaere, P.J. Coelho, Org. Lett.,13 (2011) 4040-4043.

Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low Temperature FTIR, Jet and Crystal Study. A. Sharma, I. Reva, R. Fausto, S. Hesse, M.A. Suhm, S.K. Nayak, R. Sathiskumar, R. Pal, T.N.G. Row, J. Am. Chem. Soc., 133 (2011) 20194.

Characterization of the Singlet and Triplet Excited States of 3-Chloro-4-Methylumbelliferone. J. Sergio Seixas de Melo, C. Cabral, J.C. Lima, A.L. Maçanita, J. Phys. Chem. A, 115 (2011) 8392-8398.

Mechanisms of singlet-oxygen and superoxide-ion generation by porphyrins and bacteriochlorins and their implications in photodynamic therapy. E. F. F. Silva, C. Serpa, J.M. Dabrowski, C.J.P. Monteiro, S.J. Formosinho, G. Stochel, K. Urbaska, S. Simões, M.M. Pereira, L.G. Arnaut, Chem. Eur. J.,16 (2010) 9273-9286.

Mechanisms of singlet-oxygen and superoxide-ion generation by porphyrins and bacteriochlorins and their implications in photodynamic therapy. E. F. F. Silva, C. Serpa, J.M. Dabrowski, C.J.P. Monteiro, S.J. Formosinho, G. Stochel, K. Urbaska, S. Simões, M.M. Pereira, L.G. Arnaut, Chem. Eur. J.,16 (2010) 9273-9286.

Chirality Influence on the Aggregation of Methyl Mandelate. M. Albrecht, A. Borba, K. Le Barbu-Debus, R. Fausto, S. Grimme, A. Mahjoub, U. Schmitt, L. Schrader, M.A. Suhm, A. Zehnacker-Rentien, J. Zischang,New. Eur. J., 34 (2010) 1266.

Synthesis and Characterization of the Ground and Excited States of Tripodal-Like Oligothienyl-Imidazoles. J. Pina, J. Seixas de Melo, R. Batista, S. Costa, M.M. Raposo, J. Phys. Chem. B., 114 (2010) 4964–4972.

Analytical Solution for Time-resolved Photoacoustic Calorimetry Data and Applications to Two Typical Photoreactions. F. A. Schaberle, R.M.D. Nunes, M. Barroso, C. Serpa, L.G. Arnaut, Photochem. Photobiol. Sci., 9(2010) 812-822.

Dehydroindigo, the forgotten indigo and its contribution to the Color of Maya Blue. R. Rondão, J. Seixas de Melo, V. Bonifácio, M.J. Melo, J. Phys. Chem. A., 114 (2010) 1699–1708.

NIR-laser-induced selective rotamerization of hydroxy conformers of cytosine. L. Lapinski, M.J. Nowak, I. Reva, H. Rostkowska, R. Fausto,Phys. Chem. Chem. Phys., 12 (2010) 9615–9618.

Photoacid for extremely long-lived and reversible pH-jumps. R.M.D. Nunes, M. Pineiro, L.G. Arnaut, J. Am. Chem. Soc., 131 (2009) 9456-9462.

Molecular Structure, Infrared Spectra and Photochemistry of Isoniazid under Cryogenic Conditions. A. Borba, A. Gómez-Zavaglia, R. Fausto, J. Phys. Chem. A, 113 (2009) 9220.

Alternating Binaphthyl-Thiophene Copolymers: Synthesis, Spectroscopy and Photophysics and their Relevance to the Question of Energy Migration versus Conformational Relaxation. J. Pina, J. Seixas de Melo, H. Burrows, A.L. Maçanita, F. Galbrecht, T. Bünnagel, U. Scherf, Macromolecules 42 (2009) 1710–1719.

The role of reaction energy and hydrogen bonding in the reaction path of enzymatic proton transfers. M. Barroso, L.G. Arnaut, S.J. Formosinho,J. Phys. Org. Chem, 22 (2009) 254-263.

Conformational Switching Induced by Narrowband Near-Infrared Irradiation. A. Sharma, I. Reva, R. Fausto, J. Am. Chem. Soc., 131 (2009) 8752.

A Comprehensive Investigation of the Electronic Spectral and Photophysical properties of Conjugated Naphthalene-Thiophene Oligomers. J. Pina, J. Sérgio Seixas de Melo, Phys. Chem. Chem. Phys.11 (2009) 8706-8713.

Photoacoustic Measurement of Electron Injection Efficiencies and Energies from Excited Sensitizer Dyes into Nanocrystalline TiO2 Films. C. Serpa, J. Schabauer, A.P. Piedade, C.J.P. Monteiro, M.M. Pereira, P. Douglas, H.D. Burrows, L.G. Arnaut, J. Am. Chem. Soc., 130 (2008) 8876-8877.

Dimer Formation in Nicotinamide and Picolinamide in the Gas and Condensed Phases Probed by Infrared Spectroscopy. A. Borba, M. Albrecht, A. Gómez-Zavaglia, L. Lapinski, M. Nowak, M. Suhm, R. Fausto, Phys. Chem. Chem. Phys., 10 (2008) 7010-7021.

Preparation and photophysical characterisation of Zn-Al layered double hydroxides intercalated by anionic pyrene derivatives. S. Gago, T. Costa, J. Seixas de Melo, I.S. Gonçalves, M. Pillinger, J. Mat. Chem., 18 (2008) 894-904.

Understanding Chemical Reactivity. The Case for Atom, Proton and Methyl Transfers. L.G. Arnaut, S.J. Formosinho, Chem. Eur. J., 14 (2008) 6578-6587.

Structure of Isolated 1,4-Butanediol: Combination of MP2 Calculations, NBO Analysis and Matrix‑Isolation Infrared Spectroscopy. A.J. Lopes Jesus, M.T.S. Rosado, I. Reva, R. Fausto, M.E.S. Eusébio, J.S. Redinha,J. Phys. Chem. A, 112 (2008) 4669-4678.

A study in Mauve. Unveiling Perkin's Dye in Historic Samples. M.M. Sousa, M.J. Melo, A.J. Parola, P.J.T. Morris, H.S. Rzepa, J. Sérgio Seixas de Melo Chem. Eur. J. 14 (2008) 8507– 8513.