Pure and Applied Chemistry

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• Broggi Julie, Terme Thierry, Vanelle Patrice: Organische Elektronendonoren als leistungsfähige Ein-Elektronen-Reduktionsmittel in der organischen Synthese. Angew. Chem. 2014, 126, 392. <http://dx.doi.org/10.1002/ange.201209060>
• Broggi Julie, Terme Thierry, Vanelle Patrice: Organic Electron Donors as Powerful Single-Electron Reducing Agents in Organic Synthesis. Angew. Chem. Int. Ed. 2014, 53, 384. <http://dx.doi.org/10.1002/anie.201209060>
• Gao Yanpeng, Ji Yuemeng, Li Guiying, An Taicheng: Mechanism, kinetics and toxicity assessment of OH-initiated transformation of triclosan in aquatic environments. Water Research 2014, 49, 360. <http://dx.doi.org/10.1016/j.watres.2013.10.027>
• Zhao Jincan, Fang Hong, Zhou Wei, Han Jianlin, Pan Yi: Iron-Catalyzed Cross-Dehydrogenative Coupling Esterification of Unactive C(sp3)–H Bonds with Carboxylic Acids for the Synthesis of α-Acyloxy Ethers. J. Org. Chem. 2014, 140411131907006. <http://dx.doi.org/10.1021/jo500192h>
• Liu Song, Lei Yu, Qi Xiaotian, Lan Yu: Reactivity for the Diels–Alder Reaction of Cumulenes: A Distortion-Interaction Analysis along the Reaction Pathway. J. Phys. Chem. A 2014, 118, 2638. <http://dx.doi.org/10.1021/jp411914u>
• Medina Manuel E., Galano Annia, Alvarez-Idaboy Juan Raúl: Theoretical study on the peroxyl radicals scavenging activity of esculetin and its regeneration in aqueous solution. Phys. Chem. Chem. Phys. 2014, 16, 1197. <http://dx.doi.org/10.1039/c3cp53889c>
• Galano Annia, Tan Dun Xian, Reiter Russel J.: Cyclic 3-hydroxymelatonin, a key metabolite enhancing the peroxyl radical scavenging activity of melatonin. RSC Adv. 2014, 4, 5220. <http://dx.doi.org/10.1039/c3ra44604b>
• Reckenthäler Melissa, Griesbeck Axel G.: Photoredox Catalysis for Organic Syntheses. Adv. Synth. Catal. 2013, 355, 2727. <http://dx.doi.org/10.1002/adsc.201300751>
• Maji Biplab, Troshin Konstantin, Mayr Herbert: Ambidente Reaktivität von Formaldehyd-N ,N -dialkylhydrazonen. Angew. Chem. 2013, 125, 12116. <http://dx.doi.org/10.1002/ange.201305092>
• Maji Biplab, Troshin Konstantin, Mayr Herbert: Ambident Reactivities of Formaldehyde N ,N -Dialkylhydrazones. Angew. Chem. Int. Ed. 2013, 52, 11900. <http://dx.doi.org/10.1002/anie.201305092>
• Carrillo Romen, Morales Ezequiel Q., Martín Víctor S., Martín Tomás: A Novel Approach for the Evaluation of Positive Cooperative Guest Binding: Kinetic Consequences of Structural Tightening. Chem. Eur. J. 2013, 19, 7042. <http://dx.doi.org/10.1002/chem.201300583>
• Yu Pyng, Wen Xiaoming, Toh Yon-Rui, Huang Jane, Tang Jau: Metallophilic Bond-Induced Quenching of Delayed Fluorescence in Au25 @BSA Nanoclusters. Part. Part. Syst. Charact. 2013, 30, 467. <http://dx.doi.org/10.1002/ppsc.201200111>
• Szoszkiewicz Robert: Single-molecule studies of disulfide bond reduction pathways used by human thioredoxin. Biophysical Chemistry 2013, 173-174, 31. <http://dx.doi.org/10.1016/j.bpc.2013.01.002>
• Bayat Ahmad, Fattahi Alireza: Investigation of the scavenging mechanism of tyrosyl radical by hydroxybenzohydroxamic acid derivatives: A DFT study. Computational and Theoretical Chemistry 2013, 1018, 35. <http://dx.doi.org/10.1016/j.comptc.2013.05.026>
• Sen Anik, Ganguly Bishwajit: Probing the role of solvation in predicting the π-facial selectivity of 5-Fluoro-2-methyleneadamantane with per-acid: A case study. Computational and Theoretical Chemistry 2013, 1026, 46. <http://dx.doi.org/10.1016/j.comptc.2013.10.013>
• Troshin Konstantin, Mayr Herbert: Electrofugalities of 1,3-Diarylallyl Cations. J. Org. Chem. 2013, 78, 2649. <http://dx.doi.org/10.1021/jo302766k>
• Meng Xiangying, Qin Gaowu, Goddard William A., Li Song, Pan Haijun, Wen Xiaohong, Qin Yaokun, Zuo Liang: Theoretical Understanding of Enhanced Photoelectrochemical Catalytic Activity of Sn-Doped Hematite: Anisotropic Catalysis and Effects of Morin Transition and Sn Doping. J. Phys. Chem. C 2013, 117, 3779. <http://dx.doi.org/10.1021/jp310740h>
• Alberto Marta E., Russo Nino, Grand Andre, Galano Annia: A physicochemical examination of the free radical scavenging activity of Trolox: mechanism, kinetics and influence of the environment. Phys. Chem. Chem. Phys. 2013, 15, 4642. <http://dx.doi.org/10.1039/c3cp43319f>
• Medina Manuel E., Iuga Cristina, Alvarez-Idaboy Juan Raúl: Antioxidant activity of propyl gallate in aqueous and lipid media: a theoretical study. Phys. Chem. Chem. Phys. 2013, 15, 13137. <http://dx.doi.org/10.1039/c3cp51644j>
• Priyadarshini S., Joseph P. J. Amal, Kantam M. Lakshmi: Copper catalyzed cross-coupling reactions of carboxylic acids: an expedient route to amides, 5-substituted γ-lactams and α-acyloxy esters. RSC Adv. 2013, 3, 18283. <http://dx.doi.org/10.1039/c3ra41000e>
• Cordova-Gomez Moises, Galano Annia, Alvarez-Idaboy J. Raúl: Piceatannol, a better peroxyl radical scavenger than resveratrol. RSC Adv. 2013, 3, 20209. <http://dx.doi.org/10.1039/c3ra42923g>
• Galano Annia, Tan Dun Xian, Reiter Russel J.: On the free radical scavenging activities of melatonin's metabolites, AFMK and AMK. J. Pineal Res. 2013, 54, 245. <http://dx.doi.org/10.1111/jpi.12010>
• Jiang Wei, Xiao Chengyi, Hao Linxiao, Wang Zhaohui, Ceymann Harald, Lambert Christoph, Di Motta Simone, Negri Fabrizia: Localization/Delocalization of Charges in Bay-Linked Perylene Bisimides. Chem. Eur. J. 2012, 18, 6764. <http://dx.doi.org/10.1002/chem.201103954>
• Pérez-González Adriana, Galano Annia: On the • OH and • OOH scavenging activity of 3-methyl-1-pyridin-2-yl-5-pyrazolone: Comparisons with its parent compound, edaravone. Int. J. Quantum Chem. 2012, 112, 3441. <http://dx.doi.org/10.1002/qua.24046>
• Galano Annia, Alvarez-Idaboy Juan Raúl, Francisco-Márquez Misaela, Medina Manuel E.: A quantum chemical study on the free radical scavenging activity of tyrosol and hydroxytyrosol. Theor Chem Accounts 2012, 131, 1173. <http://dx.doi.org/10.1007/s00214-012-1173-3>
• Galano Annia, Pérez-González Adriana: On the free radical scavenging mechanism of protocatechuic acid, regeneration of the catechol group in aqueous solution. Theor Chem Acc 2012, 131. <http://dx.doi.org/10.1007/s00214-012-1265-0>
• Knochenmuss Richard, Zhigilei Leonid V.: What determines MALDI ion yields? A molecular dynamics study of ion loss mechanisms. Analytical & Bioanalytical Chemistry 2012, 402, 2511. <http://dx.doi.org/10.1007/s00216-011-5194-x>
• Garcia-Borràs Marc, Romero-Rivera Adrian, Osuna Sílvia, Luis Josep M., Swart Marcel, Solà Miquel: The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes. J Chem Theory and Comput 2012, 8, 1671. <http://dx.doi.org/10.1021/ct300044x>
• Iuga Cristina, Alvarez-Idaboy J. Raúl, Russo Nino: Antioxidant Activity of trans-Resveratrol toward Hydroxyl and Hydroperoxyl Radicals: A Quantum Chemical and Computational Kinetics Study. J Org Chern 2012, 77, 3868. <http://dx.doi.org/10.1021/jo3002134>
• Yu Jianguo, Rosso Kevin M., Bruemmer Stephen M.: Charge and Ion Transport in NiO and Aspects of Ni Oxidation from First Principles. J Phys Chem C 2012, 116, 1948. <http://dx.doi.org/10.1021/jp208080v>
• Pérez-González Adriana, Galano Annia: On the Outstanding Antioxidant Capacity of Edaravone Derivatives through Single Electron Transfer Reactions. Chem B 2012, 116, 1180. <http://dx.doi.org/10.1021/jp209930y>
• Galano Annia, Martínez Ana: Capsaicin, a Tasty Free Radical Scavenger: Mechanism of Action and Kinetics. Chem B 2012, 116, 1200. <http://dx.doi.org/10.1021/jp211172f>
• Galano Annia, León-Carmona Jorge Rafael, Alvarez-Idaboy Juan Raúl: Influence of the Environment on the Protective Effects of Guaiacol Derivatives against Oxidative Stress: Mechanisms, Kinetics, and Relative Antioxidant Activity. J. Phys. Chem. B 2012, 116, 7129. <http://dx.doi.org/10.1021/jp302810w>
• Alvarez-Idaboy Juan Raúl, Galano Annia: On the Chemical Repair of DNA Radicals by Glutathione: Hydrogen vs Electron Transfer. J. Phys. Chem. B 2012, 116, 9316. <http://dx.doi.org/10.1021/jp303116n>
• Sung Herman H. Y., Lu Ping, Qin Anjun, Mei Ju, Wang Jian, Sun Jing Zhi, Zhao Hui, Yuan Wangzhang, Deng Chunmei, Chen Shuming: Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application. Chem Sci 2012, 3, 549. <http://dx.doi.org/10.1039/c1sc00688f>
• León-Carmona Jorge Rafael, Alvarez-Idaboy Juan Raúl, Galano Annia: On the peroxyl scavenging activity of hydroxycinnamic acid derivatives: mechanisms, kinetics, and importance of the acid–base equilibrium. Phys. Chem. Chem. Phys. 2012, 14, 12534. <http://dx.doi.org/10.1039/c2cp40651a>
• Martínez Ana, Hernández-Marin Elizabeth, Galano Annia: Xanthones as antioxidants: A theoretical study on the thermodynamics and kinetics of the single electron transfer mechanism. Food Funct 2012, 3, 442. <http://dx.doi.org/10.1039/c2fo10229c>
• Mayr Herbert, Breugst Martin, Ofial Armin R.: Farewell to the HSAB Treatment of Ambident Reactivity. Angewandte Chemie-Int Ed 2011, 50, 6470. <http://dx.doi.org/10.1002/anie.201007100>
• Möbius Klaus, Lubitz Wolfgang, Savitsky Anton: Photo-Induced Electron Spin Polarization in Chemical and Biological Reactions: Probing Structure and Dynamics of Transient Intermediates by Multifrequency EPR Spectroscopy. Appl Magn Reson 2011, 41, 113. <http://dx.doi.org/10.1007/s00723-011-0284-7>
• Barry Bridgette A.: Proton coupled electron transfer and redox active tyrosines in Photosystem II. Journal of Photochemistry and Photobiology B: Biology 2011, 104, 60. <http://dx.doi.org/10.1016/j.jphotobiol.2011.01.026>
• Galano Annia, Francisco-Márquez Misaela, Alvarez-Idaboy Juan R.: Canolol: A Promising Chemical Agent against Oxidative Stress. J Phys Chem B 2011, 115, 8590. <http://dx.doi.org/10.1021/jp2022105>
• Yu Jianguo, Rosso Kevin M., Liu Jun: Charge Localization and Transport in Lithiated Olivine Phosphate Materials. J Phys Chem C 2011, 115, 25001. <http://dx.doi.org/10.1021/jp204188g>
• Iuga Cristina, Alvarez-Idaboy J. Raul, Vivier-Bunge Annik: ROS Initiated Oxidation of Dopamine under Oxidative Stress Conditions in Aqueous and Lipidic Environments. Chem B 2011, 115, 12234. <http://dx.doi.org/10.1021/jp206347u>
• Galano Annia, Alvarez-Idaboy Juan Raúl, Francisco-Márquez Misaela: Physicochemical Insights on the Free Radical Scavenging Activity of Sesamol: Importance of the Acid/Base Equilibrium. Chem B 2011, 115, 13101. <http://dx.doi.org/10.1021/jp208315k>
• Galano Annia: On the direct scavenging activity of melatonin towards hydroxyl and a series of peroxyl radicals. Phys Chem Chem Phys 2011, 13, 7178. <http://dx.doi.org/10.1039/c0cp02801k>
• Galano Annia, Francisco-Márquez Misaela, Alvarez-Idaboy J. Raúl: Mechanism and kinetics studies on the antioxidant activity of sinapinic acid. Phys Chem Chem Phys 2011, 13, 11199. <http://dx.doi.org/10.1039/c1cp20722a>
• Lhuillier Emmanuel, Keuleyan Sean, Rekemeyer Paul, Guyot-Sionnest Philippe: Thermal properties of mid-infrared colloidal quantum dot detectors. Journal of Appl Phys 2011, 110, 033110. <http://dx.doi.org/10.1063/1.3619857>
• Kuzmin M. G., Soboleva I. V., Dolotova E. V., Dogadkin D. N.: Peculiarities and paradoxes of photoinduced electron transfer reactions. High Energy Chem 2011, 45, 353. <http://dx.doi.org/10.1134/S0018143911050122>
• Breugst Martin, Zipse Hendrik, Guthrie J. Peter, Mayr Herbert: Marcus-Analyse ambidenter Reaktivität. Angewandte Chemie 2010, 122, 5291. <http://dx.doi.org/10.1002/ange.201001574>
• Breugst Martin, Zipse Hendrik, Guthrie J. Peter, Mayr Herbert: Marcus Analysis of Ambident Reactivity. Angewandte Chemie International Edition 2010, 49, 5165. <http://dx.doi.org/10.1002/anie.201001574>
• Braida Benoit, Walter Christof, Engels Bernd, Hiberty Philippe C.: A Clear Correlation between the Diradical Character of 1,3-Dipoles and Their Reactivity toward Ethylene or Acetylene. J Am Chem Soc 2010, 132, 7631. <http://dx.doi.org/10.1021/ja100512d>
• Breugst Martin, Mayr Herbert: Ambident Reactivities of Pyridone Anions. J Am Chem Soc 2010, 132, 15380. <http://dx.doi.org/10.1021/ja106962u>
• Williams Lawrence J., Kolakowski Robert V.: Stereoinduction by distortional asymmetry. Nature Chem 2010, 2, 303. <http://dx.doi.org/10.1038/nchem.577>
• Galano Annia, Vargas Rubicelia, Martínez Ana: Carotenoids can act as antioxidants by oxidizing the superoxide radical anion. Phys Chem Chem Phys 2010, 12, 193. <http://dx.doi.org/10.1039/b917636e>
• Osuna Sílvia, Houk Kendall N.: Cycloaddition Reactions of Butadiene and 1,3-Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers. Chem Eur J 2009, 15, 13219. <http://dx.doi.org/10.1002/chem.200901761>
• Galano Annia, Álvarez-Diduk Ruslán, Ramírez-Silva María Teresa, Alarcón-Ángeles Georgina, Rojas-Hernández Alberto: Role of the reacting free radicals on the antioxidant mechanism of curcumin. Chemical Phys 2009, 363, 13. <http://dx.doi.org/10.1016/j.chemphys.2009.07.003>
• Klinman Judith P.: An integrated model for enzyme catalysis emerges from studies of hydrogen tunneling. chem phys letts 2009, 471, 179. <http://dx.doi.org/10.1016/j.cplett.2009.01.038>
• Geiß Barbara, Lambert Christoph: A small cationic donor–acceptor iridium complex with a long-lived charge-separated state. Chem Commun 2009, 1670. <http://dx.doi.org/10.1039/b820744e>
• Baffreau Jérôme, Leroy-Lhez Stéphanie, Vân Anh Nguyên, Williams René M., Hudhomme Piétrick: Fullerene C60–Perylene-3,4:9,10-bis(dicarboximide) Light-Harvesting Dyads: Spacer-Length and Bay-Substituent Effects on Intramolecular Singlet and Triplet Energy Transfer. Chem Eur J 2008, 14, 4974. <http://dx.doi.org/10.1002/chem.200800156>
• Savitsky Anton, Möbius Klaus: Photochemical Reactions and Photoinduced Electron-Transfer Processes in Liquids, Frozen Solutions, and Proteins as Studied by Multifrequency Time-Resolved EPR Spectroscopy. HCA 2006, 89, 2544. <http://dx.doi.org/10.1002/hlca.200690232>
• Rinderhagen Heiko, Waske Prashant A., Mattay Jochen: Facile ring opening of siloxy cyclopropanes by photoinduced electron transfer. A new way to β-keto radicals. Tetrahedron 2006, 62, 6589. <http://dx.doi.org/10.1016/j.tet.2006.03.060>
• Chaudhari Ajay, Lee Shyi-Long: Density functional study of hydrogen-bonded acetonitrile-water complex. Int J Quantum Chem 2005, 102, 106. <http://dx.doi.org/10.1002/qua.20357>
• Dogadkin D. N., Dolotova E. V., Soboleva I. V., Kuzmin M. G., Plyusnin V. F., Pozdnyakov I. P., Grivin V. P.: Temperature effect on the competition between the processes of 9-cyanophenanthrene exciplex decay. High Energy Chem 2005, 39, 20. <http://dx.doi.org/10.1007/s10733-005-0004-7>
• Morgan James J.: Kinetics of reaction between O2 and Mn(II) species in aqueous solutions. Geochimica et Cosmochimica Acta 2005, 69, 35. <http://dx.doi.org/10.1016/j.gca.2004.06.013>
• Goes Marijn, Verhoeven Jan W., Hofstraat Hans, Brunner Klemens: OLED and PLED Devices Employing Electrogenerated, Intramolecular Charge-Transfer Fluorescence. Chem Eur J of Chem Phys 2003, 4, 349. <http://dx.doi.org/10.1002/cphc.200390061>
• Zalesskaya G.A., Pavlova V.T., Sambor E.G., Bely N.N.: Energy transfer between triplet states of organic molecules in a vapour phase. chem phys letts 2003, 373, 448. <http://dx.doi.org/10.1016/S0009-2614(03)00609-2>
• Herrera Raquel P., Guijarro Albert, Yus Miguel: On the dichotomy of the SN2/ET reaction pathways: an apparent SN2 reactivity in the reaction of naphthalene dianion with alkyl fluorides. Tetrahetron Lett 2003, 44, 1309. <http://dx.doi.org/10.1016/S0040-4039(02)02808-3>
• Nookala Munichandraiah, Kumar Binod, Rodrigues Stanley: Ionic conductivity and ambient temperature Li electrode reaction in composite polymer electrolytes containing nanosize alumina. J Power Sources - 2002, 111, 165. <http://dx.doi.org/10.1016/S0378-7753(02)00303-8>
• Zalesskaya G. A., Pavlova V. T., Yakovlev D. L., Sambor E. G., Belyi N. N.: Triplet-triplet transfer of electronic excitation energy in vapors of organic molecules. Opt Spectrosc 2002, 93, 848. <http://dx.doi.org/10.1134/1.1531707>
• Yus Miguel, Herrera Raquel P, Guijarro Albert: On the mechanism of the naphthalene-catalysed lithiation: the role of the naphthalene dianion. Tetrahetron Lett 2001, 42, 3455. <http://dx.doi.org/10.1016/S0040-4039(01)00512-3>
• Zahir K Omar: Reduction of hexaammineruthenium(III) ions by a series of tris(polypyridyl)chromium(II) ions – Revisiting the Cr(NN)₃^3+/2+ self-exchange rate. Can J Chem 2001, 79, 1124. <http://dx.doi.org/10.1139/v01-088>
• Bakker B.H., Goes M., Hoebe N., van Ramesdonk H.J., Verhoeven J.W., Werts M.H.V., Hofstraat J.W.: Luminescent materials and devices: lanthanide azatriphenylene complexes and electroluminescent charge transfer systems. Coord Chem Rev - 2000, 208, 3. <http://dx.doi.org/10.1016/S0010-8545(00)00272-1>
• Winterton N.: Chapter 28. Mechanisms of reactions in solution. Annu Rep Prog Chem Sect A 1998, 94, 537. <http://dx.doi.org/10.1039/ic094537>
• Venables D. S., Schmuttenmaer C. A.: Far-infrared spectra and associated dynamics in acetonitrile–water mixtures measured with femtosecond THz pulse spectroscopy. J Chem Phys 1998, 108, 4935. <http://dx.doi.org/10.1063/1.475902>