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proton transport

"On the design of experiments based on plastic scintillators using GEANT4 simulations" (2018) Ros, G.; Sáez-Cano, G.; Medina-Tanco, G.A.; Supanitsky, A.D. Radiation Physics and Chemistry. 153:140-151

"A mass spectrometry and DFT study of pyrithione complexes with transition metals in the gas phase" (2017) Butler, M.; Cabrera, G.M. Journal of Mass Spectrometry. 52(11):728-738

"Dimerization, redox properties and antioxidant activity of two manganese(III) complexes of difluoro- and dichloro-substituted Schiff-base ligands" (2017) Palopoli, C.;Gómez, G.;Foi, A. (...)Signorella, S. Journal of Inorganic Biochemistry. 167:49-59

"HNO Is Produced by the Reaction of NO with Thiols" (2017) Suarez, S.A.;Muñoz, M.;Alvarez, L. (...)Doctorovich, F. Journal of the American Chemical Society. 139(41):14483-14487

"Impact of human galectin-1 binding to saccharide ligands on dimer dissociation kinetics and structure" (2016) Romero, J.M.;Trujillo, M.;Estrin, D.A. (...)Di Lella, S. Glycobiology. 26(12):1317-1327

"Efficient calculation of enzyme reaction free energy profiles using a hybrid differential relaxation algorithm: Application to mycobacterial zinc hydrolases" (2015) Romero, J.M.;Martin, M.;Ramirez, C.L. (...)Karabencheva-Christova T. Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions, 2015. 100:33-65

"Nitric Oxide Is Reduced to HNO by Proton-Coupled Nucleophilic Attack by Ascorbate, Tyrosine, and Other Alcohols. A New Route to HNO in Biological Media?" (2015) Suarez, S.A.;Neuman, N.I.;Muñoz, M. (...)Doctorovich, F. Journal of the American Chemical Society. 137(14):4720-4727

"Coupling of tyrosine deprotonation and axial ligand exchange in nitrocytochrome c" (2014) Capdevila, D.A.;Álvarez-Paggi, D.;Castro, M.A. (...)Murgida, D.H. Chemical Communications. 50(20):2592-2594

"The role of protein dynamics and thermal fluctuations in regulating cytochrome c/cytochrome c oxidase electron transfer" (2014) Alvarez-Paggi, D.; Zitare, U.; Murgida, D.H. Biochimica et Biophysica Acta - Bioenergetics. 1837(7):1196-1207

"Native CuA redox sites are largely resilient to pH variations within a physiological range" (2013) Alvarez-Paggi, D.; Abriata, L.A.; Murgida, D.H.; Vila, A.J. Chemical Communications. 49(47):5381-5383

"Small ligand-globin interactions: Reviewing lessons derived from computer simulation" (2013) Capece, L.;Boechi, L.;Perissinotti, L.L. (...)Estrin, D.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1722-1738

"Antiparasitic hybrids of Cinchona alkaloids and bile acids" (2013) Leverrier, A.;Bero, J.;Frédérich, M. (...)Palermo, J. European Journal of Medicinal Chemistry. 66:355-363

"The pH of HNO donation is modulated by ring substituents in Piloty's acid derivatives: Azanone donors at biological pH" (2013) Sirsalmath, K.; Suárez, S.A.; Bikiel, D.E.; Doctorovich, F. Journal of Inorganic Biochemistry. 118:134-139

"The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin" (2013) Ferreiro, D.N.; Boechi, L.; Estrin, D.A.; Martí, M.A. Journal of Inorganic Biochemistry. 119:75-84

"Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7" (2013) Boechi, L.;Arrar, M.;Martí, M.A. (...)Estrin, D.A. Journal of Biological Chemistry. 288(9):6754-6762

"Molecular basis of intramolecular electron transfer in proteins during radical-mediated oxidations: Computer simulation studies in model tyrosine-cysteine peptides in solution" (2012) Petruk, A.A.;Bartesaghi, S.;Trujillo, M. (...)Radi, R. Archives of Biochemistry and Biophysics. 525(1):82-91

"Fluorescence photoactivation by intermolecular proton transfer" (2012) Swaminathan, S.;Petriella, M.;Deniz, E. (...)Raymo, F.M. Journal of Physical Chemistry A. 116(40):9928-9933

"Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration" (2011) Moreno, D.M.;Martí, M.A.;De Biase, P.M. (...)Boechi, L. Archives of Biochemistry and Biophysics. 507(2):304-309

"Differentiation of isomeric hydroxypyridine N-Oxides using metal complexation and electrospray ionization mass spectrometry" (2011) Butler, M.; Manez, P.A.; Cabrera, G.M. Journal of the American Society for Mass Spectrometry. 22(3):545-556

"Oxidizing substrate specificity of Mycobacterium tuberculosis alkyl hydroperoxide reductase E: Kinetics and mechanisms of oxidation and overoxidation" (2011) Reyes, A.M.;Hugo, M.;Trostchansky, A. (...)Trujillo, M. Free Radical Biology and Medicine. 51(2):464-473

"Protonation of histidine 55 affects the oxygen access to heme in the alpha chain of the hemoglobin from the Antarctic fish Trematomus bernacchii" (2011) Boechi, L.;Martaì, M.A.;Vergara, A. (...)Merlino, A. IUBMB Life. 63(3):175-182

"An experimental and computational study on the dissociation behavior of hydroxypyridine N-oxides in atmospheric pressure ionization mass spectrometry" (2010) Butler, M.; Mañez, P.A.; Cabrera, G.M. Journal of Mass Spectrometry. 45(5):536-544

"Fluorescent ratiometric MFC probe sensitive to early stages of α-Synuclein aggregation" (2010) Yushchenko, D.A.;Fauerbach, J.A.;Thirunavukkuarasu, S. (...)Jovin, T.M. Journal of the American Chemical Society. 132(23):7860-7861

"The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies" (2010) Capece, L.;Lewis-Ballester, A.;Batabyal, D. (...)Marti, M.A. Journal of Biological Inorganic Chemistry. 15(6):811-823

"Self-organization of grafted polyelectrolyte layers via the coupling of chemical equilibrium and physical interactions" (2010) Tagliazucchi, M.; De La Cruz, M.O.; Szleifer, I. Proceedings of the National Academy of Sciences of the United States of America. 107(12):5300-5305

"A fast ruthenium polypyridine cage complex photoreleases glutamate with visible or IR light in one and two photon regimes" (2010) Salierno, M.;Marceca, E.;Peterka, D.S. (...)Etchenique, R. Journal of Inorganic Biochemistry. 104(4):418-422

"Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules" (2010) Alata, I.;Dedonder, C.;Broquier, M. (...)Jouvet, C. Journal of the American Chemical Society. 132(49):17483-17489

"Chromophore structure of cyanobacterial phytochrome Cph1 in the Pr state: Reconciling structural and spectroscopic data by QM/MM calculations" (2009) Mroginski, M.A.;Von Stetten, D.;Escobar, F.V. (...)Hildebrandt, P. Biophysical Journal. 96(10):4153-4163

"Glyphosate behavior at soil and mineral-water interfaces" (2008) Pessagno, R.C.; Torres Sánchez, R.M.; dos Santos Afonso, M. Environmental Pollution. 153(1):53-59

"Natural attenuation of oil spills in Patagonian soils. Characterization by 1H NMR spectroscopy" (2008) Ríos, S.M.; Nudelman, N.S. Environmental Technology. 29(1):23-33

"A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion" (2008) Perissinotti, L.L.;Marti, M.A.;Doctorovich, F. (...)Estrin, D.A. Biochemistry. 47(37):9793-9802

"Non-enzymatic browning kinetics analysed through water-solids interactions and water mobility in dehydrated potato" (2008) Acevedo, N.C.; Schebor, C.; Buera, P. Food Chemistry. 108(3):900-906

"Effect of chlorine as substituent on the photochemistry and acid-base properties of β-carboline alkaloids" (2006) Tarzi, O.I.; Erra-Balsells, R. Journal of Photochemistry and Photobiology B: Biology. 82(2):79-93

"Photochemistry of the alkaloids eudistomin N (6-bromo-nor-harmane) and eudistomin O (8-bromo-nor-harmane) and other bromo-β-carbolines" (2005) Tarzi, O.I.; Erra-Balsells, R. Journal of Photochemistry and Photobiology B: Biology. 80(1):29-45

"The [Ru(Hedta)NO] 0,1- system: Structure, chemical reactivity and biological assays" (2004) Zanichelli, P.G.;Miotto, A.M.;Estrela, H.F.G. (...)Franco, D.W. Journal of Inorganic Biochemistry. 98(11):1921-1932

"The mechanisms of brush border Na+/H+ exchanger activation by corticosteroids" (2003) Zallocchi, M.;Igarreta, P.;Calvo, J.C. (...)Damasco, M.C. Medical Science Monitor. 9(2):BR85-BR90

"Oxidative reactions and degradations of sugars and polysaccharides" (2003) Varela, O. Advances in Carbohydrate Chemistry and Biochemistry. 58:307-369

"Topological and NBO analysis of hydrogen bonding interactions involving C-H···O bonds" (2002) Sosa, G.L.; Peruchena, N.M.; Contreras, R.H.; Castro, E.A. Journal of Molecular Structure: THEOCHEM. 577(2-3):219-228

"Iron(III)-phosphonate complexes" (2001) Barja, B.C.; Herszage, J.; Dos Santos Afonso, M. Polyhedron. 20(15-16):1821-1830

"In vitro and in vivo evaluation of proximal tubular acidification in aging rats" (2001) Mac Laughlin, M.; Damasco, M.C.; Igarreta, P.; Amorena, C. American Journal of Physiology - Regulatory Integrative and Comparative Physiology. 280(6 49-6):R1627-R1631

"Theoretical investigation on the electronic structure of pentacyano(L)ferrate(II) complexes with NO+, NO, and NO- ligands. Redox interconversion, protonation, and cyanide-releasing reactions" (2001) Lebrero, M.C.G.;Scherlis, D.A.;Estiú, G.L. (...)Estrin, D.A. Inorganic Chemistry. 40(17):4127-4133

"Direct analysis by electrospray ionization tandem mass spectrometry of mixtures of phosphatidyldiacylglycerols from Lactobacillus" (2000) Cabrera, G.M.; Fern´andez Murga, M.L.; Font de Valdez, G.; Seldes, A.M. Journal of Mass Spectrometry. 35(12):1452-1459

"Dose-dependence of the effects of corticosterone and the non- glucocorticoid, 18-hydroxycorticosterone, on the brush-border Na+/K+ exchanger" (1998) Igarreta, P.;Lantos, C.P.;Calvo, J.C. (...)Damasco, M.C. Endocrine Research. 24(3-4):601-605