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Conformational distributions of tetrahydro-2-turoic acid in water at different pH values by their
IR and vibrational circular dichroism spectra
Yang, Yanqing; Alshalalfeh, Mutasem ; Xu, Yunjie
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 307, 123634
doi: 10.1016/j.saa.2023.123634
Determining the nanostructure and main axis of gly-his-gly fibrils using the amide I′ bands in
FTIR, VCD, and Raman spectra
By: O′Neill, Nichole; Lima, Thamires A. ; Furlan Ferreira, Fabio; Alvarez, Nicolas J.; Schweitzer-Stenner, Reinhard
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 306, 123584
doi: 10.1016/j.saa.2023.123584
Absolute configuration assignment of highly fluorinated carboxylic acids via VCD and MRR
spectroscopy
De Waele, Dimitri J. S.; Luyten, Sjobbe; Sonstrom, Reilly E. ; Bogaerts, Jonathan ; Neill, Justin L. ; Viereck, Peter ;
Goossens, Karel ; Baeten, Mattijs; Vervoort, Nico; Herrebout, Wouter
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 306, 123625
doi: 10.1016/j.saa.2023.123625
Quantitative evaluation of infrared and corresponding vibrational circular dichroism spectra
By: Mayerhoefer, Thomas G.; Singh, Ankit K.; Huang, Jer-Shing; Krafft, Christoph; Popp, Juergen
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 305, 123549
doi: 10.1016/j.saa.2023.123549
Pushing measurements and interpretation of VCD spectra in the IR, NIR and visible ranges to
the detectability and computational complexity limits
By: Fuse, Marco; Mazzeo, Giuseppe; Bloino, Julien; Longhi, Giovanna; Abbate, Sergio
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 305, 123496
doi: 10.1016/j.saa.2023.123496
“Nature or nurture” – How environmental factors influence the conformational memory of
amyloid fibrils
Hachlica, Natalia ; Kolodziejczyk, Aleksandra ; Rawski, Michal ; Gorecki, Marcin; Wajda, Aleksandra ; Kaczor, Agnieszka
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024)
doi: 10.1016/j.saa.2023.123293
Absolute configuration reassignment of nectamazin A: Implications to related neolignans
Batista, Andrea N. L.; Santos, Carlos Henrique T.; de Albuquerque, Ana Carolina F.; Santos, Fernando M. Jr.; Garcez, Fernanda R.;
Batista, Joao M. Jr.
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 304, 123283
doi: 10.1016/j.saa.2023.123283
Chiral Monitoring Across Both Enantiomeric Excess and Concentration Space: Leveraging
Quantum Cascade Lasers for Sensitive Vibrational Circular Dichroism Spectroscopy
Hermann, Daniel-Ralph; Ramer, Georg; Riedlsperger, Lisa; Lendl, Bernhard
Applied Spectroscopy (2023), 77(12), 1362-1370
doi: 10.1177/00037028231206186
Mechanistic study on the side arm effect in a palladium/Xu-Phos-catalyzed enantioselective
alkoxyalkenylation of γ-hydroxyalkenes
Zhu, Shuai; Ye, Zihao; Chen, Ming-Jie; Wang, Lei; Wang, Yu-Zhuo; Zhang, Ke-Nan; Li, Wen-Bo; Ding, Han-Ming; Li, Zhiming ;
Zhang, Junliang
Nature Communications (2023), 14(1), 7611
doi: 10.1177/00037028231206186
Vibrational circular dichroism unveils hidden clues
By: Nguyen, Dang Du; Kim, Inki
Light: Science & Applications (2023), 12(1), 210
doi: 10.1038/s41377-023-01239-7
Impact of conformation and intramolecular interactions on vibrational circular dichroism
spectra identified with machine learning
Vermeyen, Tom ; Cunha, Ana ; Bultinck, Patrick ; Herrebout, Wouter
Communications Chemistry (2023), 6(1), 148
doi: 10.1038/s42004-023-00944-z
Expanding chiral metamaterials for retrieving fingerprints via vibrational circular dichroism
Xu, Cheng; Ren, Zhihao; Zhou, Hong; Zhou, Jingkai; Ho, Chong Pei; Wang, Nan; Lee, Chengkuo
Light: Science & Applications (2023), 12(1), 154
doi: 10.1038/s41377-023-01186-3
Vibrational circular dichroism study and gas chromatographic analysis of chiral
epichlorohydrin
Yang, Sen ; Li, Xiangjun
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2023), 303, 123237
doi: 10.1016/j.saa.2023.123237
Influence of microsolvation on vibrational circular dichroism spectra in dimethyl sulfoxide
solvent: A Bottom-Up approach using Quantum cluster growth
Puente, Andrew R. ; Polavarapu, Prasad L.
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2023), 303, 123231
doi: 10.1016/j.saa.2023.123231
Unveiling chiral optical constants of α-pinene and propylene oxide through ATR and VCD
spectroscopy in the mid-infrared range
Mayerhoefer, Thomas G.; Singh, Ankit K.; Huang, Jer-Shing; Krafft, Christoph; Popp, Juergen
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2023), 302, 123136
doi: 10.1016/j.saa.2023.123136
Efficient Prediction of Mole Fraction Related Vibrational Frequency Shifts
Blasius, Jan ; Drysch, Katrin; Pilz, Frank Hendrik; Froembgen, Tom; Kielb, Patrycja ; Kirchner, Barbara
Journal of Physical Chemistry Letters (2023), 14(47), 10531-10536
doi: 10.1021/acs.jpclett.3c02761
Synthesis of phenylalanine and tartaric acid intercalated layered double hydroxide (LDH):
Investigation of two kinds of chiral molecules interaction in interlayer space of LDH using
solid-state vibrational circular dichroism
Aisawa, Sumio; Chida, Chika; Ida, Honoka; Sang, Jing; Hirahara, Hidetoshi; Sato, Hisako
Applied Clay Science (2023), 244, 107108
doi: 10.1016/j.clay.2023.107108
Exploring the influence of the phosphorus-heteroatom substitution in Nicotine on its
electronic and vibrational spectroscopic properties.
Taherivardanjani, Shima; Wylie, Luke; Dötzer, Reinhard; Kirchner, Barbara
Chemistry (Weinheim an der Bergstrasse, Germany) (2023), e202302534
doi: 10.1002/chem.202302534
Synthesis and VCD Spectroscopic Characterization of a Series of Azacryptands from a Chiral
Valine-Based Derivative of Tris(2-aminoethyl)amine (TREN)
Mueller, Clemens; Scholten, Kevin; Engelage, Elric ; Merten, Christian
Chemistry – A European Journal (2023), 29(63), e202302126
doi: 10.1002/chem.202302126
Understanding the surrounding effects on Raman optical activity signatures of a chiral cage
system: Cryptophane-PP-111
D’haese, Lou C. G.; Daugey, Nicolas ; Pitrat, Delphine; Brotin, Thierry; Kapitan, Josef; Liegeois, Vincent
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 306, 123484
doi: 0.1016/j.saa.2023.123484
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity
spectra in aqueous solution
Sepali, Chiara; Lafiosca, Piero ; Gomez, Sara; Giovannini, Tommaso ; Cappelli, Chiara
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 305, 123485
doi: 10.1016/j.saa.2023.123485
Raman spectroscopy and Raman optical activity of blood plasma for differential diagnosis of
gastrointestinal cancers
Kralova, Katerina; Vrtelka, Ondrej; Fouskova, Marketa; Hribek, Petr; Bunganic, Bohus; Miskovicova, Michaela; Urbanek, Petr;
Zavoral, Miroslav; Petruzelka, Lubos; Habartova, Lucie; et al
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 305, 123430
doi: 10.1016/j.saa.2023.123430
Comparative study of Raman spectroscopy techniques in blood plasma-based clinical
diagnostics: A demonstration on Alzheimer’s disease
Kralova, Katerina ; Kral, Martin ; Vrtelka, Ondrej ; Setnicka, Vladimir
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2024), 304, 123392
doi: 10.1016/j.saa.2023.123392
Monitoring Conformation and Protonation States of Glutathione by Raman Optical Activity and
Molecular Dynamics
Das, Moumita ; Gangopadhyay, Debraj ; Hudecova, Jana; Kessler, Jiri ; Kapitan, Josef; Bour, Petr
ChemPlusChem (2023), 88(11), e202300219
doi: 10.1002/cplu.202300219
Molecular Vibrations in Chiral Europium Complexes Revealed by Near-Infrared Raman Optical
Activity
Wu, Tao ; Bouř, Petr ; Fujisawa, Tomotsumi ; Unno, Masashi
Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023), e2305521
doi: 10.1002/advs.202305521
Three-Dimensional Rotational Averaging Using Irreducible Sets of Linearly Independent
Fundamental Isotropic Cartesian Tensors: A Computational Approach
Bonvicini, Andrea ; Champagne, Benoit
Journal of Chemical Theory and Computation (2023), 19(21), 7801-7815
doi: 10.1021/acs.jctc.3c00878
Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III)
Complex
Yang, Qin ; Bloino, Julien ; Sestakova, Hana; Sebestik, Jaroslav; Kessler, Jiri ; Hudecova, Jana; Kapitan, Josef; Bour, Petr
Angewandte Chemie, International Edition (2023), 62(45), e202312521
doi: 10.1002/anie.202312521
‘A careful disorderliness’ in biomolecular structure revealed by Raman optical activity
Barron, Laurence D.
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2023), 300, 122959
doi: 10.1016/j.saa.2023.122959
Corrigendum: Redox-Active Chiroptical Switching in Mono- and Bis-Iron
Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and
Resonance Raman Optical Activity
Chengshuo Shen, Monika Srebro-Hooper, Thomas Weymuth, Florian Krausbeck, Juan T. López Navarrete, Francisco J. Ramírez,
Belén Nieto-Ortega, Juan Casado, Markus Reiher, Jochen Autschbach, Jeanne Crassous
Chemistry – A European Journal (2023), 29(59), e201302935
doi: 10.1002/chem.201302935
Spectroscopic Validation of Crystallographic Structures of a Protein Active Site by Chiroptical
Spectroscopy
Fujisawa, Tomotsumi ; Shingae, Takahito; Ren, Jie; Haraguchi, Shojiro; Hanamoto, Takeshi ; Hoff, Wouter D.; Unno, Masashi
Journal of Physical Chemistry Letters (2023), 14(41), 9304-9309
doi: 10.1021/acs.jpclett.3c01954
Molecular Properties of 3d and 4f Coordination Compounds Deciphered by Raman Optical
Activity Spectroscopy
Wu, Tao ; Pelc, Radek ; Bour, Petr
ChemPlusChem (2023), 88(9), e202300385
doi: 10.1002/cplu.202300385
Toward coherent anti-Stokes Raman scattering- Raman optical activity for reaction monitoring
in organocatalysis: Chiral vibrational signatures of the two atropisomers (R)- and (S)-MOMBINOL in solution
Kumar, Vikas ; Reichenauer, Till; Supovec, Luca; Jansen, Dennis; Brodt, Nikolai; Zajac, Grzegorz; Domagala, Agnieszka;
Baranska, Malgorzata; Niemeyer, Jochen; Schluecker, Sebastian
Journal of Raman Spectroscopy (2023), 54(9), 1011-1020
doi: 10.1002/jrs.6575
Raman Optical Activity of Retinal Chromophore in Sensory Rhodopsin II
Nishikawa, Kouhei; Kuroiwa, Ryosuke; Tamogami, Jun; Unno, Masashi ; Fujisawa, Tomotsumi
Journal of Physical Chemistry B (2023), 127(33), 7244-7250
doi:10.1021/acs.jpcb.3c02391
A Reactive Force Field for Molecular Dynamics Simulations of Glucose in Aqueous Solution
Cui, Hongqiang; Lai, Rui ; Yuan, Shengwei; Liao, Chenyi ; Wang, Anhui ; Li, Guohui
Journal of Chemical Theory and Computation (2023), 19(13), 4286-4298
doi: 10.1021/acs.jctc.3c00013
Chiral Spectroscopy of Nanostructures
Kwon, Junyoung ; Park, Ki Hyun; Choi, Won Jin ; Kotov, Nicholas A. ; Yeom, Jihyeon
Accounts of Chemical Research (2023), 56(12), 1359-1372
doi: 10.1021/acs.accounts.2c00756