Works about PROTON affinity

Results: 162

Tools for analyzing protonation states and for tracing proton transfer pathways with examples from the Rb. sphaeroides photosynthetic reaction centers.

Published in:

Photosynthesis Research, 2023, v. 156, n. 1, p. 101, doi. 10.1007/s11120-022-00973-0

By:

Wei, Rongmei Judy;
Khaniya, Umesh;
Mao, Junjun;
Liu, Jinchan;
Batista, Victor S.;
Gunner, M. R.

Publication type:

Article

Relative stability of the S2 isomers of the oxygen evolving complex of photosystem II.

Published in:

Photosynthesis Research, 2019, v. 141, n. 3, p. 331, doi. 10.1007/s11120-019-00637-6

By:

Kaur, Divya;
Szejgis, Witold;
Mao, Junjun;
Amin, Muhamed;
Reiss, Krystle M.;
Askerka, Mikhail;
Cai, Xiuhong;
Khaniya, Umesh;
Zhang, Yingying;
Brudvig, Gary W.;
Batista, Victor S.;
Gunner, M. R.

Publication type:

Article

Kinetic Method Analysis of the Effect of Halogenation on Relative Proton Affinity of Tyrosine.

Published in:

Helvetica Chimica Acta, 2016, v. 99, n. 3, p. 181, doi. 10.1002/hlca.201500208

By:

Gannamani, Bharathi;
Shin, Joong‐Won

Publication type:

Article

A DFT−Based Mechanism Analysis of the Cyclodextrin Inclusion on the Radical Scavenging Activity of Apigenin.

Published in:

Antioxidants, 2023, v. 12, n. 11, p. 2018, doi. 10.3390/antiox12112018

By:

Zheng, Xiaoping;
Du, Yapeng;
Chai, Yu;
Zheng, Yanzhen

Publication type:

Article

Base‐Assisted Conversion of Protonated D‐Fructose to 5‐HMF: Searching for Gas‐Phase Green Models.

Published in:

ChemistryOpen, 2019, v. 8, n. 9, p. 1190, doi. 10.1002/open.201900173

By:

Troiani, Anna;
de Petris, Giulia;
Pepi, Federico;
Garzoli, Stefania;
Salvitti, Chiara;
Rosi, Marzio;
Ricci, Andreina

Publication type:

Article

Stable four‐membered cyclosilylenes at theoretical levels.

Published in:

Journal of the Chinese Chemical Society, 2021, v. 68, n. 4, p. 541, doi. 10.1002/jccs.202000338

By:

Ayoubi‐Chianeh, Mojgan;
Kassaee, Mohamad Z.

Publication type:

Article

New monodentate and bidentate silylene ligands by DFT.

Published in:

Journal of the Chinese Chemical Society, 2020, v. 67, n. 9, p. 1544, doi. 10.1002/jccs.202000113

By:

Ayoubi‐Chianeh, Mojgan;
Kassaee, Mohamad Z.

Publication type:

Article

Novel halogenated cyclopentasilylene‐2,4‐dienes via DFT.

Published in:

Journal of the Chinese Chemical Society, 2020, v. 67, n. 5, p. 692, doi. 10.1002/jccs.202000010

By:

Ayoubi‐Chianeh, Mojgan;
Kassaee, Mohamad Z.

Publication type:

Article

Protonated heterocyclic derivatives of cyclopropane and cyclopropanone: classical species, alternate sites, and ring fragmentation.

Published in:

Canadian Journal of Chemistry, 2015, v. 93, n. 7, p. 708, doi. 10.1139/cjc-2015-0029

By:

Miranda, Margarida S.;
Duarte, Darío J.R.;
Esteves da Silva, Joaquim C.G.;
Liebman, Joel F.

Publication type:

Article

Hydrogen-bonded proton transfer in the hydrated adenine–thymine anion.

Published in:

Canadian Journal of Chemistry, 2013, v. 91, n. 10, p. 992, doi. 10.1139/cjc-2013-0162

By:

Wu, Yingxi;
Wang, Hongyan;
Lin, Yuexia;
Gao, Simin;
Zhang, Feng

Publication type:

Article

DFT/B3LYP Study of the Substituent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Sesamol Derivatives in the Gas phase and water.

Published in:

Canadian Journal of Chemistry, 2012, v. 90, n. 10, p. 915, doi. 10.1139/v2012-087

By:

Najafi, Meysam;
Najafi, Mohammad;
Najafi, Houshang

Publication type:

Article

Characterization of aporphine alkaloids by electrospray ionization tandem mass spectrometry and density functional theory calculations.

Published in:

Rapid Communications in Mass Spectrometry: RCM, 2020, v. 34, p. 1, doi. 10.1002/rcm.8533

By:

Carnevale Neto, Fausto;
Andréo, Márcio Adriano;
Raftery, Daniel;
Lopes, João Luis Callegari;
Lopes, Norberto Peporine;
Castro‐Gamboa, Ian;
Lameiro de Noronha Sales Maia, Beatriz Helena;
Costa, Emmanoel Vilaça;
Vessecchi, Ricardo

Publication type:

Article

Modeling cationic adduction of oligonucleotides using electrospray desorption ionization.

Published in:

Rapid Communications in Mass Spectrometry: RCM, 2020, v. 34, n. 8, p. 1, doi. 10.1002/rcm.8696

By:

Sutton, J. Michael;
Bartlett, Michael G.

Publication type:

Article

Characterization of 6‐bromoferulic acid as a novel common‐use matrix for matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry.

Published in:

Rapid Communications in Mass Spectrometry: RCM, 2020, v. 34, n. 7, p. 1, doi. 10.1002/rcm.8636

By:

Kato, Yosuke;
Hirosawa, Narumi;
Sakamoto, Takeshi;
Moriguchi, Takeshi;
Takayama, Jun;
Xuan, Meiyan;
Okazaki, Mari;
Suzuki, Yuko;
Hoshi, Ayako;
Sakamoto, Yasushi

Publication type:

Article

Identification of new interferences leached from plastic microcentrifuge tubes in electrospray ionization mass spectrometry.

Published in:

Rapid Communications in Mass Spectrometry: RCM, 2019, v. 33, n. 10, p. 969, doi. 10.1002/rcm.8431

By:

Chai, Yunfeng;
Chen, Hongping;
Gao, Guanwei;
Liu, Xin;
Lu, Chengyin

Publication type:

Article

Structure of protonated tryptophan dimer in the gas phase investigated by IRPD spectroscopy and theoretical calculations.

Published in:

Rapid Communications in Mass Spectrometry: RCM, 2016, v. 30, p. 24, doi. 10.1002/rcm.7615

By:

Feng, Ruxia;
Yin, Hong;
Kong, Xianglei

Publication type:

Article

Proton affinities of candidates for positively charged ambient ions in boreal forests.

Published in:

Atmospheric Chemistry & Physics, 2013, v. 13, n. 20, p. 10397, doi. 10.5194/acp-13-10397-2013

By:

Ruusuvuori, K.;
Kurtén, T.;
Ortega, I. K.;
Faust, J.;
Vehkamäki, H.

Publication type:

Article

Synthesis and Characterization of Substituted Phosphasilenes and its Rare Homologue Stibasilene >Si=Sb−.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 47, p. 1, doi. 10.1002/chem.202300791

By:

Nazish, Mohd;
Legendre, Christina M.;
Herbst‐Irmer, Regine;
Muhammed, Shahila;
Parameswaran, Pattiyil;
Stalke, Dietmar;
Roesky, Herbert W.

Publication type:

Article

Four‐Membered Bimetallic Carbon Complex [(M(η5‐C5(CH3)5))2(μ‐NPh)(μ‐C)] (M=Fe, Ru, Os) – An Ambiphilic Carbene with Lone Pair and σ‐Hole Reactivity

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 35, p. 1, doi. 10.1002/chem.202300582

By:

Parvathy, Parameswaran;
Parameswaran, Pattiyil

Publication type:

Article

Reactivity of a N‐Coordinated Germylene‐Borane Complex: From Ge→B to Ge→Ga Coordination.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 70, p. 1, doi. 10.1002/chem.202202639

By:

Vítek, Dominik;
Růžička, Aleš;
Vermeersch, Lise;
Dostál, Libor;
Turek, Jan;
Jambor, Roman

Publication type:

Article

Reactivity of the Bicyclic Amido‐Substituted Silicon(I) Ring Compound Si4{N(SiMe3)Mes}4 with FLP‐Type Character.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 69, p. 17361, doi. 10.1002/chem.202103101

By:

Schwedtmann, Kevin;
Quest, Michael;
Guddorf, Benedikt J.;
Keuter, Jan;
Hepp, Alexander;
Feldt, Milica;
Droste, Jörn;
Hansen, Michael Ryan;
Lips, Felicitas

Publication type:

Article

Proton‐Coupled Electron Transfer (PCET) with 1,4‐Bisguanidino‐Benzene Derivatives: Comparative Study and Use in Acid‐Initiated C‐H Activation.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 46, p. 11943, doi. 10.1002/chem.202101539

By:

Walter, Petra;
Hübner, Olaf;
Kaifer, Elisabeth;
Himmel, Hans‐Jörg

Publication type:

Article

Do Sulfonamides Interact with Aromatic Rings?

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 18, p. 5721, doi. 10.1002/chem.202004732

By:

Jian, Jie;
Hammink, Roel;
McKenzie, Christine J.;
Bickelhaupt, F. Matthias;
Poater, Jordi;
Mecinović, Jasmin

Publication type:

Article

Simultaneous Hydrogen Generation and Exciplex Stimulated Emission in Photobasic Carbon Dots.

Published in:

Angewandte Chemie, 2023, v. 135, n. 33, p. 1, doi. 10.1002/ange.202305817

By:

Fang, Jiawen;
Wang, Yiou;
Kurashvili, Mariam;
Rieger, Sebastian;
Kasprzyk, Wiktor;
Wang, Qingli;
Stolarczyk, Jacek K.;
Feldmann, Jochen;
Debnath, Tushar

Publication type:

Article

f‐block MOFs: A Pathway to Heterometallic Transuranics.

Published in:

Angewandte Chemie, 2023, v. 135, n. 5, p. 1, doi. 10.1002/ange.202216349

By:

Park, Kyoung Chul;
Kittikhunnatham, Preecha;
Lim, Jaewoong;
Thaggard, Grace C.;
Liu, Yuan;
Martin, Corey R.;
Leith, Gabrielle A.;
Toler, Donald J.;
Ta, An T.;
Birkner, Nancy;
Lehman‐Andino, Ingrid;
Hernandez‐Jimenez, Alejandra;
Morrison, Gregory;
Amoroso, Jake W.;
zur Loye, Hans‐Conrad;
DiPrete, Dave P.;
Smith, Mark D.;
Brinkman, Kyle S.;
Phillpot, Simon R.;
Shustova, Natalia B.

Publication type:

Article

Mesoionic N‐Heterocyclic Imines as Super Nucleophiles in Catalytic Couplings of Amides with CO2.

Published in:

Angewandte Chemie, 2022, v. 134, n. 51, p. 1, doi. 10.1002/ange.202213614

By:

Das, Arpan;
Sarkar, Pallavi;
Maji, Subir;
Pati, Swapan K.;
Mandal, Swadhin K.

Publication type:

Article

Strong Fermi Resonance Associated with Proton Motions Revealed by Vibrational Spectra of Asymmetric Proton‐Bound Dimers.

Published in:

Angewandte Chemie, 2021, v. 133, n. 4, p. 1964, doi. 10.1002/ange.202012665

By:

Huang, Qian‐Rui;
Shishido, Ryunosuke;
Lin, Chih‐Kai;
Tsai, Chen‐Wei;
Tan, Jake A.;
Fujii, Asuka;
Kuo, Jer‐Lai

Publication type:

Article

Stable Mesoionic N‐Heterocyclic Olefins (mNHOs).

Published in:

Angewandte Chemie, 2020, v. 132, n. 14, p. 5831, doi. 10.1002/ange.201914571

By:

Hansmann, Max M.;
Antoni, Patrick W.;
Pesch, Henner

Publication type:

Article

Catalytic activity of amines in the oxidation of anthrone.

Published in:

Russian Journal of Organic Chemistry, 2014, v. 50, n. 10, p. 1443, doi. 10.1134/S107042801410008X

By:

Serdyuk, A.;
Kasyanchuk, M.;
Opeida, I.

Publication type:

Article

Stability of Molecular Complexes of Iodine and Iodine Monochloride with Nitrogen-Containing Donors.

Published in:

Russian Journal of General Chemistry, 2024, v. 94, p. S40, doi. 10.1134/S1070363224140068

By:

Pomogaeva, A. V.;
Lisovenko, A. S.;
Timoshkin, A. Y.

Publication type:

Article

Crystal Structure of the Molecular Complex of Silicon Tetrafluoride with 4-Phenylpyridine.

Published in:

Russian Journal of General Chemistry, 2021, v. 91, n. 10, p. 1964, doi. 10.1134/S1070363221100066

By:

Davydova, E. I.;
Virovets, A. V.;
Peresypkina, E. V.;
Timoshkin, A. Yu.

Publication type:

Article

Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-58582-x

By:

Shiroudi, Abolfazl;
Śmiechowski, Maciej;
Czub, Jacek;
Abdel-Rahman, Mohamed A.

Publication type:

Article

Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir.

Published in:

Crystals (2073-4352), 2016, v. 6, n. 11, p. 139, doi. 10.3390/cryst6110139

By:

Vílchez-Rodríguez, Esther;
Pérez-Toro, Inmaculada;
Bauzá, Antonio;
Matilla-Hernández, Antonio

Publication type:

Article

Subnanometric alkaline-earth oxide clusters for sustainable nitrate to ammonia photosynthesis.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-28740-8

By:

Li, Jieyuan;
Chen, Ruimin;
Wang, Jielin;
Zhou, Ying;
Yang, Guidong;
Dong, Fan

Publication type:

Article

On Analogies in Proton-Transfers for Pyrimidine Bases in the Gas Phase (Apolar Environment)—Cytosine Versus Isocytosine.

Published in:

Symmetry (20738994), 2023, v. 15, n. 2, p. 342, doi. 10.3390/sym15020342

By:

Raczyńska, Ewa D.

Publication type:

Article

Push–Pull Effect on the Gas-Phase Basicity of Nitriles: Transmission of the Resonance Effects by Methylenecyclopropene and Cyclopropenimine π-Systems Substituted by Two Identical Strong Electron Donors.

Published in:

Symmetry (20738994), 2021, v. 13, n. 9, p. 1554, doi. 10.3390/sym13091554

By:

Raczyńska, Ewa D.;
Gal, Jean-François;
Maria, Pierre-Charles;
Saeidian, Hamid

Publication type:

Article

Effect of aromaticity and ring strain on proton affinity of aziridine and amidine skeletons: a DFT study.

Published in:

Journal of the Iranian Chemical Society, 2020, v. 17, n. 7, p. 1731, doi. 10.1007/s13738-020-01899-x

By:

Saeidian, Hamid;
Barfinejad, Ehsan;
Vessally, Esmail

Publication type:

Article

The any particle molecular orbital/molecular mechanics approach.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 10, p. 1, doi. 10.1007/s00894-019-4153-x

By:

Rodas, José M.;
Galindo, Johan F.;
Roitberg, Adrian E.;
Reyes, Andrés

Publication type:

Article

Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4′-O-α-L-rhamnopyranoside through a computational study.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3959-x

By:

Mendes, Rodrigo A.;
Almeida, Shawan K. C.;
Soares, Iuri N.;
Barboza, Cristina A.;
Freitas, Renato G.;
Brown, Alex;
de Souza, Gabriel L. C.

Publication type:

Article

Computational insight into the contribution of para-substituents on the reduction potential, proton affinity, and electronic properties of nitrobenzene compounds.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 3, p. N.PAG, doi. 10.1007/s00894-019-3946-2

By:

Adeniyi, Adebayo A.;
Conradie, Jeanet

Publication type:

Article

Intramolecular versus intermolecular hydrogen bonds in a novel conjugated dimethylamino-benzylidene-amino-2-naphthoic acid Schiff base.

Published in:

Journal of Molecular Modeling, 2017, v. 23, n. 7, p. 1, doi. 10.1007/s00894-017-3381-1

By:

Al-Ansari, Ibrahim

Publication type:

Article

Theoretical study on the antioxidant properties of 2′-hydroxychalcones: H-atom vs. electron transfer mechanism.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 9, p. 3851, doi. 10.1007/s00894-013-1921-x

By:

Xue, Yunsheng;
Zheng, Youguang;
Zhang, Ling;
Wu, Wenya;
Yu, Ding;
Liu, Yi

Publication type:

Article

Crystal structure of bis[hydrido-hexaphenylcarbodiphosphoran][tetra-trifluoromethyl-(μ-diiodo)-diplatinat].

Published in:

Zeitschrift für Kristallographie / New Crystal Structures, 2022, v. 237, n. 2, p. 273, doi. 10.1515/ncrs-2021-0460

By:

Petz, Wolfgang;
Neumüller, Bernhard

Publication type:

Article

Mechanistic insight into the kinetic fragmentation of norpinonic acid in the gas phase: an experimental and density functional theory (DFT) study.

Published in:

Atmospheric Chemistry & Physics, 2024, v. 24, n. 16, p. 9309, doi. 10.5194/acp-24-9309-2024

By:

Kurzydym, Izabela;
Błaziak, Agata;
Podgórniak, Kinga;
Kułacz, Karol;
Błaziak, Kacper

Publication type:

Article

Aplicyanins - brominated natural marine products with superbasic character.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2016, v. 71, n. 8, p. 883, doi. 10.1515/znb-2016-0055

By:

Kostić, Marina D.;
Divac, Vera M.;
Alzoubi, Basam M.;
Puchta, Ralph

Publication type:

Article

Supercritical Fluid Chromatography–Mass-Spectrometry of Nitrogen-Containing Compounds: Atmospheric Pressure Ionization.

Published in:

Journal of Analytical Chemistry, 2021, v. 76, n. 14, p. 1624, doi. 10.1134/S1061934821140070

By:

Ovchinnikov, D. V.;
Ul'yanovskii, N. V.;
Falev, D. I.;
Kosyakov, D. S.

Publication type:

Article

Peculiarities of 2,6-Di-tert-butylpyridine Protonation: Mobility of Protonated Molecules.

Published in:

Journal of Analytical Chemistry, 2021, v. 76, n. 13, p. 1538, doi. 10.1134/S1061934821130074

By:

Lebedev, A. V.

Publication type:

Article

Peculiarities of 2,6-Di-tert-butylpyridine Protonation: Mobility of Protonated Molecules.

Published in:

Journal of Analytical Chemistry, 2021, v. 76, n. 12, p. 1538, doi. 10.1134/S1061934821130074

By:

Lebedev, A. V.

Publication type:

Article

Ion-Molecular Derivatization Reactions of Alcohols in a "Direct Analysis in Real Time" (DART) Mass Spectrometer: 4-N,N-Dimethylaminopyridine as a New Efficient Reagent.

Published in:

Journal of Analytical Chemistry, 2020, v. 75, n. 13, p. 1731, doi. 10.1134/S1061934820130043

By:

Borisov, R. S.;
Esparza, C. A.;
Goryainov, S. V.;
Zaikin, V. G.

Publication type:

Article

Pyridine and Methylpyridines: Calculations of the Structure, Proton Affinity, Gas-Phase Basicity, and Mobility of Protonated Molecules and Proton-Bound Dimers.

Published in:

Journal of Analytical Chemistry, 2020, v. 75, n. 13, p. 1719, doi. 10.1134/S1061934820130079

By:

Lebedev, A. V.

Publication type:

Article