| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 |
| adf:vcd-paper [2020/05/10 10:21] – [应用案例] liu.jun | adf:vcd-paper [2024/04/27 14:33] (当前版本) – [应用案例] liu.jun |
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| | [[adf:publishedpapers|上级目录]] |
| ======ECD/ORD/VCD/MCD[目录]====== | ======ECD/ORD/VCD/MCD[目录]====== |
| =====VCD官方功能展示范例===== | =====VCD官方功能展示范例===== |
| | - 是什么对谷胱甘肽保护的Au25纳米团簇的手性光学响应有贡献? [[https://www.fermitech.com.cn/ams/ams_application/adfhighlight06|ACS Nano, 2023]] |
| - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.9b11261|Analysis of Vibrational Circular Dichroism Spectra of Peptides: a Generalised Coupled Oscillator Approach of a Small Peptide Model Using VCDtools(The Journal of Physical Chemistry B, 2020)]] | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.9b11261|Analysis of Vibrational Circular Dichroism Spectra of Peptides: a Generalised Coupled Oscillator Approach of a Small Peptide Model Using VCDtools(The Journal of Physical Chemistry B, 2020)]] |
| - [[https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00956|The GUI Implementation of VCDtools, a Program to Analyse Computed Vibrational Circular Dichroism Spectra (Journal of Chemical Information and Modeling 2019)]] | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00956|The GUI Implementation of VCDtools, a Program to Analyse Computed Vibrational Circular Dichroism Spectra (Journal of Chemical Information and Modeling 2019)]] |
| ===== 应用案例===== | ===== 应用案例===== |
| * [[https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.9b02135|Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy(J. Med. Chem. 2020)]] | - Enantiopure [6]-Azairidahelicene by Dynamic Kinetic Resolution of a Configurationally Labile [4]-Helicene, Angew. Chem. Int. Ed. 2024, e202406663, DOI: [[https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202406663|10.1002/anie.202406663]] |
| * Mark A. J. Koenis, Artem Osypenko, Gad Fuks, Nicolas Giuseppone, Valentin P. Nicu, Lucas Visscher and Wybren Jan Buma, Self-Assembly of Supramolecular Polymers of N-Centered Triarylamine Trisamides in the Light of Circular Dichroism: Reaching Consensus between Electrons and Nuclei, J. Am. Chem. Soc. 142, 1020 (2020). | - 特内里费岛叶下珠中一种新的不寻常的C-糖基亚麻酮Tenelloside的分离及其化学分类学意义, Separations, 2024, 11(1), 15; DOI: [[https://doi.org/10.3390/separations11010015|10.3390/separations11010015]] |
| * Mark A. J. Koenis, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, Analysis of Vibrational Circular Dichroism Spectra of Peptides: a Generalised Coupled Oscillator Approach Using VCDtools, J. Phys. Chem. B (2020). | - Insight into the photolytic degradation products of Rosuvastatin: full chiral and structural elucidation and conversion kinetics by a combined chromatographic, spectroscopic and theoretical approach, [[https://www.sciencedirect.com/science/article/abs/pii/S0731708523004053|Journal of Pharmaceutical and Biomedical Analysis, Available online 16 August 2023, 115636]] |
| * Mark A. J. Koenis, Olivier Visser, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, GUI Implementation of VCDtools, a Program to Analyse Computed Vibrational Circular Dichroism Spectra, J. Chem. Inf. Model. (2019). | - 具有潜在模块化平面手性的苯并环庚烯类药物的立体化学实验室评价, European Journal of Organic Chemistry, 2023, DOI: [[https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/ejoc.202300568|10.1002/ejoc.202300568]] |
| * Yiyin Xia, Mark A. J. Koenis, Juan F. Collados, Pablo Ortiz, Syuzanna R. Harutyunyan, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, Regional Susceptibility in VCD Spectra to Dynamic Molecular Motions: The Case of a Benzyl α−Hydroxysilane, ChemPhysChem 19, 561 (2019). | - [[https://www.fermitech.com.cn/ams/ams_application/adfhighlight01/|手性结合艺术美]]，Nature, 2023, volume 615, pages 418–424 (2023) |
| * Mark A. J. Koenis, Yiyin Xia, Sergio R. Domingos, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, Taming Conformational Heterogeneity in and with Vibrational Circular Dichroism Spectroscopy, Chem. Sci. 10, 7680 (2019). | - [[https://link.springer.com/article/10.1007/s11082-022-04111-x|TiSiO4团簇光学性质的TD-DFT研究(Optical and Quantum Electronics 2022)]] |
| * Mark A. J. Koenis, Eveline H. Tiekink, Davita M. E. van Raamsdonk, Nadav U. Joosten, Susanne A. Gooijer, Valentin P. Nicu, Lucas Visscher and Wybren Jan Buma, Analytical Chemistry on Many-Center Chiral Compounds Based on Vibrational Circular Dichroism: Absolute Configuration Assignments and Determination of Contaminant Levels, Anal. Chim. Acta. 1090, 100 (2019). | - [[https://www.nature.com/articles/s41377-022-00778-9|揭示了不同手性前体分子产生的碳点的光学活性性质(Light: Science & Applications 2022)]] |
| * Habiburrahman Zulfikri, Mark A. J. Koenis, Michael M. Lerch, Mariangela Di Donato, Wiktor Szymanski, Claudia Filippi, Ben L. Feringa, Wybren Jan Buma, Taming the Complexity of Donor-Acceptor Stenhouse Adducts: Infrared Motion Pictures of the Complete Switching Pathway, J. Am. Chem. Soc. 141, 7376 (2019). | - [[https://pubs.rsc.org/en/content/articlepdf/2021/cp/d1cp00854d|Vibrational circular dichroism studies of exceptionally strong chirality inducers in liquid crystals(Phys. Chem. Chem. Phys. 2021)]] |
| * [[https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.26081|Theoretical insight into the magnetic circular dichroism of uranium N6, 7‐edge X‐ray absorption(International Journal of Quantum Chemistry, 2019)]] | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c06669|邻苯取代钯八乙基卟啉的磁圆二色性(J. Phys. Chem. A 2020)]] |
| * [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b05638|Vibrational Circular Dichroism of Thiolate-Protected Au25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand Shell(J. Phys. Chem., C2019)]] | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.9b02135|Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy(J. Med. Chem. 2020)]] |
| * [[http://www.fermitech.com.cn/news/highlight-070|双膦固定Au团簇手性光活性研究(J. Phys. Chem. C, 2018)]] | - Mark A. J. Koenis, Artem Osypenko, Gad Fuks, Nicolas Giuseppone, Valentin P. Nicu, Lucas Visscher and Wybren Jan Buma, Self-Assembly of Supramolecular Polymers of N-Centered Triarylamine Trisamides in the Light of Circular Dichroism: Reaching Consensus between Electrons and Nuclei, J. Am. Chem. Soc. 142, 1020 (2020). |
| * [[http://www.fermitech.com.cn/adf-highlight-043|BINAS取代硫醇化金纳米颗粒的CD谱(Nanoscale，2013)]] | - Mark A. J. Koenis, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, Analysis of Vibrational Circular Dichroism Spectra of Peptides: a Generalised Coupled Oscillator Approach Using VCDtools, J. Phys. Chem. B (2020). |
| | - Mark A. J. Koenis, Olivier Visser, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, GUI Implementation of VCDtools, a Program to Analyse Computed Vibrational Circular Dichroism Spectra, J. Chem. Inf. Model. (2019). |
| | - Yiyin Xia, Mark A. J. Koenis, Juan F. Collados, Pablo Ortiz, Syuzanna R. Harutyunyan, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, Regional Susceptibility in VCD Spectra to Dynamic Molecular Motions: The Case of a Benzyl α−Hydroxysilane, ChemPhysChem 19, 561 (2019). |
| | - Mark A. J. Koenis, Yiyin Xia, Sergio R. Domingos, Lucas Visscher, Wybren Jan Buma and Valentin P. Nicu, Taming Conformational Heterogeneity in and with Vibrational Circular Dichroism Spectroscopy, Chem. Sci. 10, 7680 (2019). |
| | - Mark A. J. Koenis, Eveline H. Tiekink, Davita M. E. van Raamsdonk, Nadav U. Joosten, Susanne A. Gooijer, Valentin P. Nicu, Lucas Visscher and Wybren Jan Buma, Analytical Chemistry on Many-Center Chiral Compounds Based on Vibrational Circular Dichroism: Absolute Configuration Assignments and Determination of Contaminant Levels, Anal. Chim. Acta. 1090, 100 (2019). |
| | - Habiburrahman Zulfikri, Mark A. J. Koenis, Michael M. Lerch, Mariangela Di Donato, Wiktor Szymanski, Claudia Filippi, Ben L. Feringa, Wybren Jan Buma, Taming the Complexity of Donor-Acceptor Stenhouse Adducts: Infrared Motion Pictures of the Complete Switching Pathway, J. Am. Chem. Soc. 141, 7376 (2019). |
| | - [[https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.26081|Theoretical insight into the magnetic circular dichroism of uranium N6, 7‐edge X‐ray absorption(International Journal of Quantum Chemistry, 2019)]] |
| | - [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b05638|Vibrational Circular Dichroism of Thiolate-Protected Au25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand Shell(J. Phys. Chem., C2019)]] |
| | - [[http://www.fermitech.com.cn/news/highlight-070|双膦固定Au团簇手性光活性研究(J. Phys. Chem. C, 2018)]] |
| | - [[http://www.fermitech.com.cn/adf-highlight-043|BINAS取代硫醇化金纳米颗粒的CD谱(Nanoscale，2013)]] |
