Works matching DE "VIBRATIONAL circular dichroism"

Results: 227

Preparing an Eremophilanoid from Cacalia Species and Assigning its Absolute Configuration.

Published in:

Natural Product Communications, 2025, v. 20, n. 6, p. 1, doi. 10.1177/1934578X251353303

By:

González-Morales, Brenda Lucía;
Fuentes-Figueroa, Miguel Ángel;
Burgueño-Tapia, Eleuterio

Publication type:

Article

Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be 4 B 8 Cluster at Different Temperatures.

Published in:

Molecules, 2021, v. 26, n. 13, p. 3953, doi. 10.3390/molecules26133953

By:

Buelna-García, Carlos Emiliano;
Robles-Chaparro, Eduardo;
Parra-Arellano, Tristan;
Quiroz-Castillo, Jesus Manuel;
del-Castillo-Castro, Teresa;
Martínez-Guajardo, Gerardo;
Castillo-Quevedo, Cesar;
de-León-Flores, Aned;
Anzueto-Sánchez, Gilberto;
Martin-del-Campo-Solis, Martha Fabiola;
Mendoza-Wilson, Ana Maria;
Vásquez-Espinal, Alejandro;
Cabellos, Jose Luis

Publication type:

Article

Sesquiterpene Lactones from Calea pinnatifida: Absolute Configuration and Structural Requirements for Antitumor Activity.

Published in:

Molecules, 2020, v. 25, n. 13, p. 3005, doi. 10.3390/molecules25133005

By:

Caldas, Lhaís Araújo;
Rodrigues, Mariana T.;
Batista, Andrea N. L.;
Batista, João M.;
Lago, João H. G.;
Ferreira, Marcelo J. P.;
Rubio, Ileana G. S.;
Sartorelli, Patricia;
Tylkowski, Bartosz;
Bajek, Anna;
Roszkowski, Krzysztof

Publication type:

Article

Chiral Lanthanide Complexes with l- and d-Alanine: An X-ray and Vibrational Circular Dichroism Study.

Published in:

Molecules, 2020, v. 25, n. 12, p. 2729, doi. 10.3390/molecules25122729

By:

Lyczko, Krzysztof;
Rode, Joanna E.;
Dobrowolski, Jan Cz.;
Malek, Kamilla

Publication type:

Article

Chiral Phase Transfer Catalysis in the Asymmetric Synthesis of a 3,3-Disubstituted Isoindolinone and Determination of Its Absolute Configuration by VCD Spectroscopy.

Published in:

Molecules, 2020, v. 25, n. 10, p. 2272, doi. 10.3390/molecules25102272

By:

Monaco, Guglielmo;
Tiffner, Maximilian;
Mola, Antonia Di;
Herrebout, Wouter;
Waser, Mario;
Massa, Antonio;
Neves, M. Graça P. M. S.;
Favi, Gianfranco

Publication type:

Article

Characterization of Eight Novel Spiroleptosphols from Fusarium avenaceum.

Published in:

Molecules, 2019, v. 24, n. 19, p. 3498, doi. 10.3390/molecules24193498

By:

Westphal, Klaus Ringsborg;
Werner, Manuela Ilse Helga;
Nielsen, Katrine Amalie Hamborg;
Sørensen, Jens Laurids;
Andrushchenko, Valery;
Winde, Jacob;
Hertz, Morten;
Jensen, Mikkel Astrup;
Mortensen, Mathilde Lauge;
Bouř, Petr;
Sondergaard, Teis Esben;
Wimmer, Reinhard

Publication type:

Article

Assignment Through Chiroptical Methods of The Absolute Configuration of Fungal Dihydropyranpyran-4-5-Diones Phytotoxins, Potential Herbicides for Buffelgrass (Cenchrus ciliaris) Biocontrol.

Published in:

Molecules, 2019, v. 24, n. 17, p. 3022, doi. 10.3390/molecules24173022

By:

Santoro, Ernesto;
Mazzeo, Giuseppe;
Marsico, Giulia;
Masi, Marco;
Longhi, Giovanna;
Superchi, Stefano;
Evidente, Antonio;
Abbate, Sergio;
Pedras, M. Soledade C.

Publication type:

Article

Instrumentation for Vibrational Circular Dichroism Spectroscopy: Method Comparison and Newer Developments.

Published in:

Molecules, 2018, v. 23, n. 9, p. 2404, doi. 10.3390/molecules23092404

By:

Keiderling, Timothy A.

Publication type:

Article

PDB2CD: a web-based application for the generation of circular dichroism spectra from protein atomic coordinates.

Published in:

Bioinformatics, 2017, v. 33, n. 1, p. 56, doi. 10.1093/bioinformatics/btw554

By:

Mavridis, Lazaros;
Janes, Robert W.

Publication type:

Article

Vibrational circular dichroism of plasmonic nanostructures embedding chiral drugs.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-97383-8

By:

Adhikary, Raju;
Venturi, Matteo;
Salvitti, Giovanna;
Sahoo, Ambaresh;
Ferrante, Carino;
Benassi, Paola;
Di Stasio, Francesco;
Toma, Andrea;
Altug, Hatice;
Aschi, Massimiliano;
Marini, Andrea

Publication type:

Article

Conformational Stabilities, EPR, IR and VCD Studies of Tris(ethylenediamine)nickel(II) Chloride.

Published in:: Journal of the Iranian Chemical Society, 2010, v. 7, n. 4, p. 934, doi. 10.1007/BF03246089
Publication type:: Article

Chiroptical Properties of a Cryptophane Soluble at Neutral pH.

Published in:

European Journal of Organic Chemistry, 2024, v. 27, n. 18, p. 1, doi. 10.1002/ejoc.202400136

By:

Brotin, Thierry;
Daugey, Nicolas;
Jean, Marion;
Vanthuyne, Nicolas;
Buffeteau, Thierry

Publication type:

Article

Diastereoselective and Enantioselective Heck Alkenylation of Cyclopent‐3‐en‐1‐ylmethanol with Alkenyl Triflates and Evaluation of Noncovalent Effects.

Published in:

European Journal of Organic Chemistry, 2023, v. 26, n. 35, p. 1, doi. 10.1002/ejoc.202300550

By:

de Oliveira, Valdeir C.;
Angnes, Ricardo A.;
Batista, João M.;
Correia, Carlos Roque D.

Publication type:

Article

Vibrational and Electronic Circular Dichroism Study of Chiral Seleno Compounds Prepared from a Naphthol Based Diselenide.

Published in:

European Journal of Organic Chemistry, 2022, v. 2022, n. 23, p. 1, doi. 10.1002/ejoc.202200282

By:

Mangiavacchi, Francesca;
Mazzeo, Giuseppe;
Graziani, Maria Chiara;
Marini, Francesca;
Drabowicz, Józef;
Wielgus, Ewelina;
Sancineto, Luca;
Longhi, Giovanna;
Vivani, Riccardo;
Abbate, Sergio;
Santi, Claudio

Publication type:

Article

Highlighting the DCO‐SCF 2020 Award Winners – A Valuable Collaboration with EurJOC.

Published in:: European Journal of Organic Chemistry, 2022, v. 2022, n. 3, p. 1, doi. 10.1002/ejoc.202101453
Publication type:: Article

Allosteric Guest Binding in Chiral Zirconium(IV) Double Decker Porphyrin Cages.

Published in:

European Journal of Organic Chemistry, 2021, v. 2021, n. 4, p. 607, doi. 10.1002/ejoc.202001392

By:

Bruekers, Jeroen P. J.;
Hellinghuizen, Matthijs A.;
Vanthuyne, Nicolas;
Tinnemans, Paul;
Gilissen, Pieter J.;
Buma, Wybren Jan;
Naubron, Jean-Valère;
Crassous, Jeanne;
Elemans, Johannes A. A. W.;
Nolte, Roeland J. M.

Publication type:

Article

Front Cover: Recent Advances in the Application of Vibrational Circular Dichroism Spectroscopy for the Characterization of Asymmetric Catalysts (Eur. J. Org. Chem. 37/2020).

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 37, p. 5890, doi. 10.1002/ejoc.202001249

By:

Merten, Christian

Publication type:

Article

Recent Advances in the Application of Vibrational Circular Dichroism Spectroscopy for the Characterization of Asymmetric Catalysts.

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 37, p. 5892, doi. 10.1002/ejoc.202000876

By:

Merten, Christian

Publication type:

Article

Coaxial Helices in Chiral Supramolecular Aggregates from Highly Hindered Chiral Allenes.

Published in:

Angewandte Chemie, 2025, v. 137, n. 10, p. 1, doi. 10.1002/ange.202421310

By:

Lago‐Silva, María;
Fernández‐Míguez, Manuel;
Fernández, Zulema;
Cid, María Magdalena;
Quiñoá, Emilio;
Rodríguez, Rafael;
Freire, Félix

Publication type:

Article

Chiroptical Spectroscopy, Theoretical Calculations, and Symmetry of a Chiral Transition Metal Complex with Low-Lying Electronic States.

Published in:

Molecules, 2025, v. 30, n. 4, p. 804, doi. 10.3390/molecules30040804

By:

Alshalalfeh, Mutasem;
Xu, Yunjie

Publication type:

Article

Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations.

Published in:

Molecules, 2023, v. 28, n. 10, p. 4013, doi. 10.3390/molecules28104013

By:

Alshalalfeh, Mutasem;
Sun, Ningjie;
Moraes, Amanda Hanashiro;
Utani, Alexandra Paola Aponte;
Xu, Yunjie

Publication type:

Article

Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations.

Published in:

Molecules, 2023, v. 28, n. 6, p. 2571, doi. 10.3390/molecules28062571

By:

Li, Guojie;
Li, Dan;
Alshalalfeh, Mutasem;
Cheramy, Joseph;
Zhang, Hui;
Xu, Yunjie

Publication type:

Article

Insights into the Structures of Bilirubin and Biliverdin from Vibrational and Electronic Circular Dichroism: History and Perspectives.

Published in:

Molecules, 2023, v. 28, n. 6, p. 2564, doi. 10.3390/molecules28062564

By:

Longhi, Giovanna;
Ghidinelli, Simone;
Abbate, Sergio;
Mazzeo, Giuseppe;
Fusè, Marco;
Boiadjiev, Stefan E.;
Lightner, David A.

Publication type:

Article

Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy.

Published in:

Molecules, 2023, v. 28, n. 2, p. 771, doi. 10.3390/molecules28020771

By:

Yang, Yanqing;
Krin, Anna;
Cai, Xiaoli;
Poopari, Mohammad Reza;
Zhang, Yuefei;
Cheeseman, James R.;
Xu, Yunjie

Publication type:

Article

Synthesis and Stereochemical Characterization of a Novel Chiral α-Tetrazole Binaphthylazepine Organocatalyst.

Published in:

Molecules, 2022, v. 27, n. 16, p. 5113, doi. 10.3390/molecules27165113

By:

Summa, Assunta;
Scafato, Patrizia;
Belviso, Sandra;
Monaco, Guglielmo;
Zanasi, Riccardo;
Longhi, Giovanna;
Abbate, Sergio;
Superchi, Stefano

Publication type:

Article

Spectroscopic Response of Chiral Proteophenes Binding to Two Chiral Insulin Amyloids.

Published in:

ChemPhotoChem, 2025, v. 9, n. 1, p. 1, doi. 10.1002/cptc.202400225

By:

Watanabe, Takahiro;
Swaminathan, Priyanka;
Björk, Linnea;
Nakanishi, Ayaka;
Sato, Hisako;
Zako, Tamotsu;
Nilsson, K. P. R.;
Lindgren, Mikael

Publication type:

Article

Theoretical Analysis of Continuous-Wave Mid-Infrared Optical Vortex Source Generated by Singly Resonant Optical Parametric Oscillator.

Published in:

Photonics, 2022, v. 9, n. 12, p. 1002, doi. 10.3390/photonics9121002

By:

Zhou, Ziheng;
Zhang, Shirui;
Duan, Yuanhao;
Guo, Minghao;
Li, Peng

Publication type:

Article

Induced photoelectron circular dichroism onto an achiral chromophore.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-42002-1

By:

Rouquet, Etienne;
Roy Chowdhury, Madhusree;
Garcia, Gustavo A.;
Nahon, Laurent;
Dupont, Jennifer;
Lepère, Valéria;
Le Barbu-Debus, Katia;
Zehnacker, Anne

Publication type:

Article

A new germacranolide from Ageratina vernalis.

Published in:

Natural Product Research, 2022, v. 36, n. 9, p. 2254, doi. 10.1080/14786419.2020.1827400

By:

Fuentes-Figueroa, Miguel Á.;
Tlapale-Lara, Neively;
Hernández-Carlos, Beatriz;
Joseph-Nathan, Pedro;
Burgueño-Tapia, Eleuterio

Publication type:

Article

The absolute configuration of anti-Vibrio citrinin dimeric derivative by VCD, ECD and NMR methods.

Published in:

Natural Product Research, 2019, v. 33, n. 15, p. 2192, doi. 10.1080/14786419.2018.1493590

By:

Cao, Fei;
Sun, Tian-Tian;
Yang, Jian-Kun;
Zhao, Guo-Zheng;
Liu, Qing-Ai;
Hu, Lian-Dong;
Ma, Zheng-Yue;
Zhu, Hua-Jie

Publication type:

Article

Exploring Single‐Phase Asymmetric Multiple‐Quantum‐Well Architectures in Chiral Hybrid Perovskites via Kinetically Controlled Self‐Assembly.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 41, p. 1, doi. 10.1002/adfm.202406143

By:

Ye, Huang;
Bie, Jie;
Wang, Yifei;
Wang, Peng;
Guan, Qianwen;
Zhu, Tingting;
Li, Lina;
Chen, Shuang;
Liu, Xitao;
Luo, Junhua

Publication type:

Article

Near‐Field Coupling Induced Less Chiral Responses in Chiral Metamaterials for Surface‐Enhanced Vibrational Circular Dichroism.

Published in:

Advanced Functional Materials, 2024, v. 34, n. 13, p. 1, doi. 10.1002/adfm.202314482

By:

Xu, Cheng;
Ren, Zhihao;
Zhou, Hong;
Zhou, Jingkai;
Li, Dongxiao;
Lee, Chengkuo

Publication type:

Article

Theoretical VCD response in the C-H stretching region of methyl α and β L-Fucopyranoside: a different behavior from monosaccharides.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02621-z

By:

Moussi, Sofiane;
Ouamerali, Ourida

Publication type:

Article

A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 245, doi. 10.1007/s00214-006-0234-x

By:

Nicu, Valentin Paul;
Neugebauer, Johannes;
Wolff, Stephen K.;
Baerends, Evert Jan

Publication type:

Article

Theory of Raman scattering and Raman optical activity: near resonance theory and levels of approximation.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 39, doi. 10.1007/s00214-007-0267-9

By:

Nafie, Laurence A.

Publication type:

Article

Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 265, doi. 10.1007/s00214-007-0285-7

By:

Ramnarayan, K.;
Bohr, H. G.;
Jalkanen, K. J.

Publication type:

Article

Response tensors for chiral discrimination in NMR spectroscopy.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 99, doi. 10.1007/s00214-006-0184-3

By:

Lazzeretti, Paolo;
Soncini, Alessandro;
Zanasi, Riccardo

Publication type:

Article

Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 133, doi. 10.1007/s00214-006-0186-1

By:

Fristrup, Peter;
Lassen, Peter Rygaard;
Tanner, David;
Jalkanen, K. J.

Publication type:

Article

Tight β-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 81, doi. 10.1007/s00214-006-0183-4

By:

Kim, Joohyun;
Kapitán, Josef;
Lakhani, Ahmed;
Bouř, Petr;
Keiderling, Timothy

Publication type:

Article

Characterizing vibrational motion beyond internal coordinates.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 113, doi. 10.1007/s00214-006-0185-2

By:

Hug, Werner;
Fedorovsky, Maxim

Publication type:

Article

Protein voltammetry and spectroscopy: integrating approaches.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 107, doi. 10.1007/s00214-006-0233-y

By:

Male, Louise;
Marritt, Sophie J.;
Berks, Ben C.;
Cheesman, Myles R.;
van Wonderen, Jessica H.;
George, Simon J.;
Butt, Julea N.

Publication type:

Article

Introduction: a Festschrift in honor of Philip J. Stephens’ 65th birthday.

Published in:

2008

By:

Jensen, Gerard M.;
Jalkanen, Karl J.

Publication type:

Editorial

A combined theoretical and experimental study of the structure and vibrational absorption, vibrational circular dichroism, Raman and Raman optical activity spectra of the L-histidine zwitterion.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 155, doi. 10.1007/s00214-007-0276-8

By:

Deplazes, E.;
van Bronswijk, W.;
Zhu, F.;
Barron, L. D.;
Ma, S.;
Nafie, L. A.;
Jalkanen, K. J.

Publication type:

Article

Reduction of linear birefringence in vibrational circular dichroism measurement: use of a rotating half-wave plate.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 69, doi. 10.1007/s00214-007-0284-8

By:

Xiaolin Cao;
Dukor, Rina K.;
Nafie, Laurence A.

Publication type:

Article

Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 191, doi. 10.1007/s00214-007-0361-z

By:

Jalkanen, K. J.;
Degtyarenko, I. M.;
Nieminen, R. M.;
Cao, X.;
Nafie, L. A.;
Zhu, F.;
Barron, L. D.

Publication type:

Article

A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 177, doi. 10.1007/s00214-007-0390-7

By:

Jalkanen, K. J.;
Gale, Julian D.;
Lassen, P. R.;
Hemmingsen, L.;
Rodarte, A.;
Degtyarenko, I. M.;
Nieminen, R. M.;
Brøgger Christensen, S.;
Knapp-Mohammady, M.;
Suhai, S.

Publication type:

Article

Determination of the absolute configuration of chiral molecules via density functional theory calculations of vibrational circular dichroism and optical rotation: The chiral alkane D<sub>3</sub>-anti-trans-anti-trans-anti-trans-perhydrotriphenylene.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 119, n. 1-3, p. 19, doi. 10.1007/s00214-006-0245-7

By:

Stephens, P. J.;
Devlin, F. J.;
Schürch, S.;
Hulliger, J.

Publication type:

Article

Nonvolatile chirality switching in terahertz chalcogenide metasurfaces.

Published in:

Microsystems & Nanoengineering, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41378-022-00445-4

By:

Bao, Jiaxin;
Chen, Xieyu;
Liu, Kuan;
Zhan, Yu;
Li, Haiyang;
Zhang, Shoujun;
Xu, Yihan;
Tian, Zhen;
Cao, Tun

Publication type:

Article

手性药物分子绝对构型鉴定的理论研究进展.

Published in:

Journal of Hebei University of Science & Technology, 2022, v. 43, n. 4, p. 393, doi. 10.7535/hbkd.2022yx04007

By:

朱华结

Publication type:

Article

DETERMINATION OF THE ABSOLUTE CONFIGURATION OF 3-AMINO-3-(TETRAHYDROFURAN) CARBOXYLIC ACID BY VIBRATIONAL CIRCULAR DICHROISM AND DFT CALCULATION.

Published in:

Studia Universitatis Babes-Bolyai, Chemia, 2011, v. 56, n. 1, p. 221

By:

Shengli Ma;
Sherry Shen;
Zhengxu Han;
Yibo Xu;
Heewon Lee;
Krishnamurthy, Dhileepkumar;
Senanayake, Chris;
Grinberg, Nelu

Publication type:

Article