Works matching DE "CONFORMERS (Chemistry)"

Results: 208

Selective Chirality Transfer to the Bis(trifluoromethylsulfonyl)imide Anion of an Ionic Liquid.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 51, p. 1, doi. 10.1002/chem.202301239

By:

Blasius, Jan;
Kirchner, Barbara

Publication type:

Article

Hydrogen‐Atom Tunneling in Metaphosphorous Acid.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 37, p. 8205, doi. 10.1002/chem.202000844

By:

Qian, Weiyu;
Chu, Xianxu;
Song, Chao;
Wu, Zhuang;
Jiao, Mengqi;
Liu, Hanwen;
Zou, Bin;
Rauhut, Guntram;
Tew, David P.;
Wang, Lina;
Zeng, Xiaoqing

Publication type:

Article

Direct Spectroscopic Evidence for an n→π* Interaction.

Published in:

Angewandte Chemie, 2016, v. 128, n. 27, p. 7932, doi. 10.1002/ange.201511925

By:

Singh, Santosh K.;
Mishra, Kamal K.;
Sharma, Neha;
Das, Aloke

Publication type:

Article

SAM-II Riboswitch Samples at least Two Conformations in Solution in the Absence of Ligand: Implications for Recognition.

Published in:

Angewandte Chemie, 2016, v. 128, n. 8, p. 2774, doi. 10.1002/ange.201509997

By:

Chen, Bin;
LeBlanc, Regan;
Dayie, T. Kwaku

Publication type:

Article

Graphisches Inhaltsverzeichnis: Angew. Chem. 18/2014.

Published in:: Angewandte Chemie, 2014, v. 126, n. 18, p. 4589, doi. 10.1002/ange.201490016
Publication type:: Article

Separation of Photoactive Conformers Based on Hindered Diarylethenes: Efficient Modulation in Photocyclization Quantum Yields.

Published in:

Angewandte Chemie, 2014, v. 126, n. 18, p. 4691, doi. 10.1002/ange.201310438

By:

Li, Wenlong;
Jiao, Changhong;
Li, Xin;
Xie, Yongshu;
Nakatani, Keitaro;
Tian, He;
Zhu, Weihong

Publication type:

Article

Single Mutations in Tau Modulate the Populations of Fibril Conformers through Seed Selection.

Published in:

Angewandte Chemie, 2014, v. 126, n. 6, p. 1616, doi. 10.1002/ange.201308473

By:

Meyer, Virginia;
Dinkel, Paul D.;
Luo, Yin;
Yu, Xiang;
Wei, Guanghong;
Zheng, Jie;
Eaton, Gareth R.;
Ma, Buyong;
Nussinov, Ruth;
Eaton, Sandra S.;
Margittai, Martin

Publication type:

Article

Enantiomerenbestimmung chiraler Moleküle in Stoffgemischen mittels Breitband-Mikrowellenspektroskopie.

Published in:

Angewandte Chemie, 2014, v. 126, n. 4, p. 1171, doi. 10.1002/ange.201306271

By:

Shubert, V. Alvin;
Schmitz, David;
Patterson, David;
Doyle, John M.;
Schnell, Melanie

Publication type:

Article

Frontiers in Rotational Spectroscopy: Shapes and Tunneling Dynamics of the Four Conformers of the Acrylic Acid-Difluoroacetic Acid Adduct.

Published in:

Angewandte Chemie, 2014, v. 126, n. 2, p. 540, doi. 10.1002/ange.201308459

By:

Feng, Gang;
Gou, Qian;
Evangelisti, Luca;
Caminati, Walther

Publication type:

Article

Six Pyranoside Forms of Free 2-Deoxy- D-ribose.

Published in:

Angewandte Chemie, 2013, v. 125, n. 45, p. 12056, doi. 10.1002/ange.201305589

By:

Peña, Isabel;
Cocinero, Emilio J.;
Cabezas, Carlos;
Lesarri, Alberto;
Mata, Santiago;
Écija, Patricia;
Daly, Adam M.;
Cimas, Álvaro;
Bermúdez, Celina;
Basterretxea, Francisco J.;
Blanco, Susana;
Fernández, José A.;
López, Juan C.;
Castaño, Fernando;
Alonso, José L.

Publication type:

Article

Synthesis, Structural Analysis, and Properties of [8]Circulenes.

Published in:

Angewandte Chemie, 2013, v. 125, n. 30, p. 7945, doi. 10.1002/ange.201303875

By:

Feng, Chieh ‐ Ning;
Kuo, Ming ‐ Yu;
Wu, Yao ‐ Ting

Publication type:

Article

CoDNaS: a database of conformational diversity in the native state of proteins.

Published in:

Bioinformatics, 2013, v. 29, n. 19, p. 2512, doi. 10.1093/bioinformatics/btt405

By:

Monzon, Alexander Miguel;
Juritz, Ezequiel;
Fornasari, María Silvina;
Parisi, Gustavo

Publication type:

Article

Intramolecular strain and conformational energy of some symmetric heteroanalogues of bicyclo[3.3.1]nonane.

Published in:

Doklady Chemistry, 2013, v. 450, n. 1, p. 131, doi. 10.1134/S0012500813050078

By:

Pisarev, S.;
Palyulin, V.;
Zefirov, N.

Publication type:

Article

The Creation of a Database of Odorous Compounds Focused on Molecular Rigidity and Analysis of the Molecular Features of the Compounds in the Database.

Published in:

Chemical Senses, 2002, v. 27, n. 5, p. 399, doi. 10.1093/chemse/27.5.399

By:

Yoshii, Fumiko;
Yamada, Yoshiaki;
Hoshi, Takashi;
Hagiwara, Hisahiro

Publication type:

Article

Stabilities of nanohydrated thymine radical cations: insights from multiphoton ionization experiments and ab initio calculations.

Published in:

European Physical Journal D (EPJ D), 2017, v. 71, n. 7, p. 1, doi. 10.1140/epjd/e2017-70827-1

By:

Pandey, Rahul;
Lalande, Mathieu;
Ryszka, Michal;
Limão-Vieira, Paulo;
Mason, Nigel;
Poully, Jean-Christophe;
Eden, Samuel

Publication type:

Article

The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix.

Published in:

Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0208-0

By:

Kim, Hyoungrae;
Jang, Cheongyun;
Yadav, Dharmendra;
Kim, Mi-hyun

Publication type:

Article

Mapping and classifying molecules from a high-throughput structural database.

Published in:

Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0192-4

By:

De, Sandip;
Musil, Felix;
Ingram, Teresa;
Baldauf, Carsten;
Ceriotti, Michele

Publication type:

Article

Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets.

Published in:

Journal of Cheminformatics, 2016, v. 8, n. 1, p. 1, doi. 10.1186/s13321-016-0163-1

By:

Kim, Sunghwan;
Bolton, Evan;
Bryant, Stephen

Publication type:

Article

Second Harmonic Generation, Electrooptical Pockels Effect, and Static First-Order Hyperpolarizabilities of 2,2'-Bithiophene Conformers: An HF, MP2, and DFT Theoretical Investigation.

Published in:

Advances in Physical Chemistry, 2013, p. 1, doi. 10.1155/2013/394697

By:

Alparone, Andrea

Publication type:

Article

Synthesis, Spatial Structure and Analgesic Activity of Sodium 3-Benzylaminocarbonyl-l-methyl-2,2-dioxo-lH-2λ6,l-benzothiazin-4-olate Solvates.

Published in:

Scientia Pharmaceutica, 2016, v. 84, n. 4, p. 705, doi. 10.3390/scipharm84040705

By:

Ukrainets, Igor V.;
Petrushova, Lidiya A.;
Shishkina, Svitlana V.;
Grinevich, Lina A.;
Sim, Galina

Publication type:

Article

Conformer Distribution in Rotaxanes Containing Nonsymmetric Threads: A Systematic Approach.

Published in:

European Journal of Organic Chemistry, 2018, v. 2018, n. 36, p. 4978, doi. 10.1002/ejoc.201800991

By:

Orlando, Tainára;
Salbego, Paulo R. S.;
Zimmer, Geórgia C.;
Pagliari, Anderson B.;
Bender, Caroline R.;
Rodrigues, Leticia V.;
Bonacorso, Helio G.;
Zanatta, Nilo;
Berná, Jose;
Martins, Marcos A. P.

Publication type:

Article

Cyclization of Linear Tetrapeptides Containing N-Methylated Amino Acids by using 1-Propanephosphonic Acid Anhydride.

Published in:

European Journal of Organic Chemistry, 2017, v. 2017, n. 1, p. 149, doi. 10.1002/ejoc.201601016

By:

Zhang, Shengping;
De Leon Rodriguez, Luis M.;
Lacey, Ernest;
Piggott, Andrew M.;
Leung, Ivanhoe K. H.;
Brimble, Margaret A.

Publication type:

Article

Indaphyrins and Indachlorins: Optical and Chiroptical Properties of a Family of Helimeric Porphyrinoids.

Published in:

European Journal of Organic Chemistry, 2015, v. 2015, n. 18, p. 3913, doi. 10.1002/ejoc.201500511

By:

Götz, Daniel C. G.;
Gehrold, Andreas C.;
Dorazio, Sarina J.;
Daddario, Pedro;
Samankumara, Lalith;
Bringmann, Gerhard;
Brückner, Christian;
Bruhn, Torsten

Publication type:

Article

Narrowband NIR-Induced In Situ Generation of the High-Energy Trans Conformer of Trichloroacetic Acid Isolated in Solid Nitrogen and its Spontaneous Decay by Tunneling to the Low-Energy Cis Conformer.

Published in:

Croatica Chemica Acta, 2015, v. 88, n. 4, p. 377, doi. 10.5562/cca2704

By:

Apóstolo, R. F. G.;
Bento, R. R. F.;
Fausto, R.

Publication type:

Article

A Structural and Functional Comparison Between Infectious and Non-Infectious Autocatalytic Recombinant PrP Conformers.

Published in:

PLoS Pathogens, 2015, v. 11, n. 6, p. 1, doi. 10.1371/journal.ppat.1005017

By:

Noble, Geoffrey P.;
Wang, Daphne W.;
Walsh, Daniel J.;
Barone, Justin R.;
Miller, Michael B.;
Nishina, Koren A.;
Li, Sheng;
Supattapone, Surachai

Publication type:

Article

Epigenetic Dominance of Prion Conformers.

Published in:

PLoS Pathogens, 2013, v. 9, n. 10, p. 1, doi. 10.1371/journal.ppat.1003692

By:

Saijo, Eri;
Kang, Hae-Eun;
Bian, Jifeng;
Bowling, Kristi G.;
Browning, Shawn;
Kim, Sehun;
Hunter, Nora;
Telling, Glenn C.

Publication type:

Article

Detailed Molecular Dynamics Simulation of the Structure and Self-Diffusion of Linear and Cyclic n-Alkanes in Melt and Blends.

Published in:

Macromolecular Theory & Simulations, 2017, v. 26, n. 1, p. n/a, doi. 10.1002/mats.201600049

By:

Alatas, Panagiotis V.;
Tsalikis, Dimitrios G.;
Mavrantzas, Vlasis G.

Publication type:

Article

Photoactive Polyoxometalate/DASA Covalent Hybrids for Photopolymerization in the Visible Range.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 63, p. 14349, doi. 10.1002/chem.201902573

By:

Boulmier, Amandine;
Haouas, Mohamed;
Tomane, Somia;
Michely, Laurent;
Dolbecq, Anne;
Vallée, Anne;
Brezová, Vlasta;
Versace, Davy‐Louis;
Mialane, Pierre;
Oms, Olivier

Publication type:

Article

Competition Between Intra‐ and Intermolecular Hydrogen Bonding: o‐Anisic Acid⋅⋅⋅Formic Acid Heterodimer.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 53, p. 12325, doi. 10.1002/chem.201902086

By:

Macario, Alberto;
Blanco, Susana;
Thomas, Javix;
Xu, Yunjie;
López, Juan Carlos

Publication type:

Article

Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 41, p. 10409, doi. 10.1002/chem.201800817

By:

Moreno Betancourt, Angélica;
Schwabedissen, Jan;
Romano, Rosana M.;
Della Védova, Carlos O.;
Beckers, Helmut;
Willner, Helge;
Stammler, Hans‐Georg;
Mitzel, Norbert W.

Publication type:

Article

Process Development for Separation of Conformers from Derivatives of Resorcin[4]arenes and Pyrogallol[4]arenes.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 43, p. 15202, doi. 10.1002/chem.201603090

By:

Patil, Rahul S.;
Zhang, Chen;
Atwood, Jerry L.

Publication type:

Article

Frontispiece: Process Development for Separation of Conformers from Derivatives of Resorcin[4]arenes and Pyrogallol[4]arenes.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 43, p. n/a, doi. 10.1002/chem.201684361

By:

Patil, Rahul S.;
Zhang, Chen;
Atwood, Jerry L.

Publication type:

Article

Corannulene Molecular Rotor with Flexible Perfluorobenzyl Blades: Synthesis, Structure and Properties.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 26, p. 9488, doi. 10.1002/chem.201500465

By:

San, Long K.;
Clikeman, Tyler T.;
Dubceac, Cristina;
Popov, Alexey A.;
Chen, Yu ‐ Sheng;
Petrukhina, Marina A.;
Strauss, Steven H.;
Boltalina, Olga V.

Publication type:

Article

Individual scale factor approach for the vibrational circular dichroism similarity‐guided spectral and conformational analysis of perezone and dihydroperezone.

Published in:

Chirality, 2023, v. 35, n. 1, p. 67, doi. 10.1002/chir.23517

By:

Muñoz, Marcelo A.;
Burgueño‐Tapia, Eleuterio;
Joseph‐Nathan, Pedro

Publication type:

Article

Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2‐trifluoro‐anthrylethanol.

Published in:

Chirality, 2018, v. 30, n. 6, p. 730, doi. 10.1002/chir.22853

By:

Cerezo, Javier;
Aranda, Daniel;
Avila Ferrer, Francisco J.;
Prampolini, Giacomo;
Mazzeo, Giuseppe;
Longhi, Giovanna;
Abbate, Sergio;
Santoro, Fabrizio

Publication type:

Article

Chiroptical Study and Absolute Configuration of (−)- O-DMA Produced From Daidzein Metabolism.

Published in:

Chirality, 2014, v. 26, n. 9, p. 74, doi. 10.1002/chir.22295

By:

Kim, Mihyang;
Han, Jaehong

Publication type:

Article

On the Complementarity of ECD and VCD Techniques.

Published in:

Chirality, 2014, v. 26, n. 9, p. 165, doi. 10.1002/chir.22330

By:

Nicu, Valentin Paul;
Mándi, Attila;
Kurtán, Tibor;
Polavarapu, Prasad L.

Publication type:

Article

Computational ECD Spectrum Simulation of the Phytotoxin Scytalone: Importance of Solvent Effects on Conformer Populations.

Published in:

Chirality, 2014, v. 26, n. 9, p. 142, doi. 10.1002/chir.22311

By:

Mazzeo, Giuseppe;
Cimmino, Alessio;
Andolfi, Anna;
Evidente, Antonio;
Superchi, Stefano

Publication type:

Article

Fischer aminocarbene conformers containing a 2-thienyl or 2-furyl ring: a crystallographic, NMR, and DFT study.

Published in:

Journal of Coordination Chemistry, 2015, v. 68, n. 14, p. 2388, doi. 10.1080/00958972.2015.1046852

By:

Landman, Marilé;
Fraser, Roan;
Twigge, Linette;
Conradie, Jeanet

Publication type:

Article

Conformers and Electronic Spectra of Dansylamide: Experimental and Theoretical Studies.

Published in:

Optics & Spectroscopy, 2018, v. 125, n. 1, p. 34, doi. 10.1134/S0030400X18070081

By:

Fedorov, M. S.;
Giricheva, N. I.;
Lapykina, E. A.;
Korableva, M. S.

Publication type:

Article

Solution of a torsional Schrödinger equation with a periodic potential of general form. The probability amplitude and probability density.

Published in:

Optics & Spectroscopy, 2017, v. 123, n. 2, p. 217, doi. 10.1134/S0030400X17080239

By:

Turovtsev, V.;
Orlov, M.;
Orlov, Yu.

Publication type:

Article

Photoluminescence of trans-1,2-Di(2-naphthyl)ethylene: Conformation Isomerism and Validity of the Kennard Relation.

Published in:

High Energy Chemistry, 2018, v. 52, n. 4, p. 289, doi. 10.1134/S0018143918040069

By:

Gadomska, A. V.;
Rasumov, V. F.;
Tovstun, S. A.

Publication type:

Article

Unveiling host–guest–solvent interactions in solution by identifying highly unstable host–guest configurations in thermal non-equilibrium gas phase.

Published in:

Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-12226-0

By:

Choi, Hyoju;
Oh, Young-Ho;
Park, Soojin;
Lee, Sung-Sik;
Oh, Han Bin;
Lee, Sungyul

Publication type:

Article

Evidence of oligomerization of bovine insulin in solution given by NMR.

Published in:

European Biophysics Journal, 2018, v. 47, n. 8, p. 881, doi. 10.1007/s00249-018-1310-6

By:

Efimov, S. V.;
Zgadzay, Yu. O.;
Tarasova, N. B.;
Klochkov, V. V.

Publication type:

Article

Conformational enantiodiscrimination for asymmetric construction of atropisomers.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-32432-8

By:

Cen, Shouyi;
Huang, Nini;
Lian, Dongsheng;
Shen, Ahui;
Zhao, Mei-Xin;
Zhang, Zhipeng

Publication type:

Article

Aspartic Acid Isomerization Characterized by High Definition Mass Spectrometry Significantly Alters the Bioactivity of a Novel Toxin from Poecilotheria.

Published in:

Toxins, 2020, v. 12, n. 4, p. 207, doi. 10.3390/toxins12040207

By:

Johnson, Stephen R.;
Rikli, Hillary G.

Publication type:

Article

Order from Chaos: Self‐Assembly of Nanoprism from a Mixture of Tetratopic Terpyridine‐Porphyrin Conformers.

Published in:

Chinese Journal of Chemistry, 2019, v. 37, n. 11, p. 1167, doi. 10.1002/cjoc.201900177

By:

Filosa, Alexander;
Wang, Heng;
Li, Wei‐Jian;
Zhang, Wenjing;
Ngo, Ellie;
Piccolo, Jonathan E.;
Yang, Hai‐Bo;
Li, Xiaopeng

Publication type:

Article

Molecular Similarity: Methods and Performance.

Published in:

Chinese Journal of Chemistry, 2013, v. 31, n. 9, p. 1123, doi. 10.1002/cjoc.201300390

By:

Cai, Chaoqian;
Gong, Jiayu;
Liu, Xiaofeng;
Gao, Daqi;
Li, Honglin

Publication type:

Article

Influence of Substitution on the Supramolecular Chemistry of Cycloparaphenylene‐Fullerene Complexes.

Published in:

European Journal of Organic Chemistry, 2023, v. 26, n. 30, p. 1, doi. 10.1002/ejoc.202300575

By:

Kohrs, Daniel;
Volkmann, Jannis;
Wegner, Hermann A.

Publication type:

Article

Mapping of Allosteric Druggable Sites in Activation-Associated Conformers of the M2 Muscarinic Receptor.

Published in:

Chemical Biology & Drug Design, 2014, v. 83, n. 2, p. 237, doi. 10.1111/cbdd.12233

By:

Miao, Yinglong;
Nichols, Sara E.;
McCammon, J. Andrew

Publication type:

Article