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Correction to “Structural Investigations of Cargo Molecules Inside Icosahedrally Symmetric Encapsulin by VUVCD Spectroscopic Measurements” 通过紫外可见分光光度测量对二十面体对称包囊蛋白内货物分子的结构研究 "的更正
IF 2.8 4区 化学
Chirality Pub Date : 2024-09-08 DOI: 10.1002/chir.23714
{"title":"Correction to “Structural Investigations of Cargo Molecules Inside Icosahedrally Symmetric Encapsulin by VUVCD Spectroscopic Measurements”","authors":"","doi":"10.1002/chir.23714","DOIUrl":"https://doi.org/10.1002/chir.23714","url":null,"abstract":"<p>\u0000 <span>Kumamoto, S</span>, <span>Yamamoto, A</span>, <span>Shiratsuchi, Y</span>, <span>Matsuo, K</span>, <span>Higashiura, A</span>, <span>Hira, D</span>. <span>Structural Investigations of Cargo Molecules Inside Icosahedrally Symmetric Encapsulin by VUVCD Spectroscopic Measurements</span>. <i>Chirality</i>. <span>2024</span>; <span>36</span>(<span>8</span>):e23700, https://doi.org/10.1002/chir.23700.\u0000 </p><p>This article was published ahead of its designation as a themed special issue article and was intended to contain a note saying that it will be published as part of the special issue for “Proceedings of 19th International Conference on Chiroptical Spectroscopy, Hiroshima, Japan 2023.”</p><p>We apologize for this error.</p>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/chir.23714","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142158569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improved, Efficient, and Simple Methodology for the Resolution of Racemic Benoxaprofen: A Nonsteroidal Anti-Inflammatory Drug (NSAID) 改进、高效、简单的外消旋苯氧洛芬（一种非甾体抗炎药 (NSAID) ）解析方法
IF 2.8 4区 化学
Chirality Pub Date : 2024-08-28 DOI: 10.1002/chir.23713
Siva Rama Kasibabu Velugula, Veera Babu Kagita, Ramadas Chavakula, Paul Douglas Sanasi
{"title":"Improved, Efficient, and Simple Methodology for the Resolution of Racemic Benoxaprofen: A Nonsteroidal Anti-Inflammatory Drug (NSAID)","authors":"Siva Rama Kasibabu Velugula,&nbsp;Veera Babu Kagita,&nbsp;Ramadas Chavakula,&nbsp;Paul Douglas Sanasi","doi":"10.1002/chir.23713","DOIUrl":"https://doi.org/10.1002/chir.23713","url":null,"abstract":"<div>\u0000 \u0000 <p>The present article discloses an improved, efficient, and simple resolution methodology for the preparation of (<i>S</i>)-benoxaprofen which is a nonsteroidal anti-inflammatory drug (NSAID). The resolution of racemic benoxaprofen uses an easily available, efficient, recoverable, and cost-effective chiral reagent, namely, (1<i>R</i>,2<i>S</i>)-(+)-<i>cis</i>-1-amino-2-indanol. This novel resolution process is having a very high purity of (<i>S</i>)-benoxaprofen, greater than 99%, substantially free from (<i>R</i>)-benoxaprofen (less than 1%).</p>\u0000 </div>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142100100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular Docking of Chiral Drug Enantiomers With Different Bioactivities 具有不同生物活性的手性药物对映体的分子对接
IF 2.8 4区 化学
Chirality Pub Date : 2024-08-28 DOI: 10.1002/chir.23712
Ekaterina V. Semenova, Ekaterina V. Belova, Alexey V. Sulimov, Vladimir B. Sulimov
{"title":"Molecular Docking of Chiral Drug Enantiomers With Different Bioactivities","authors":"Ekaterina V. Semenova,&nbsp;Ekaterina V. Belova,&nbsp;Alexey V. Sulimov,&nbsp;Vladimir B. Sulimov","doi":"10.1002/chir.23712","DOIUrl":"https://doi.org/10.1002/chir.23712","url":null,"abstract":"<div>\u0000 \u0000 <p>Chirality has an important role in the drug design because enantiomers may exhibit different bioactivity when interacting with macromolecules of a living organism. In our previous work, based on the analysis of a set of 100 chiral drugs, a relationship was established between the sign of chirality of enantiomers and their bioactivity. To understand the reasons for the observed patterns of chiral specificity of drug enantiomers, the interaction of 10 enantiomeric pairs of chiral drugs with the corresponding target proteins has been considered using molecular docking and further postprocessing by quantum chemistry methods. The data obtained confirm that the energetic aspect of the interaction between opposite enantiomers and target protein affects the enantiomer biological activity. In addition, the results show that molecular docking is able to distinguish between bioactive and inactive/less active enantiomers, although many docking programs are not accurate enough to distinguish a weak inhibitor from a strong one.</p>\u0000 </div>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142089836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chiral Chemopolymorphism in the Monoterpenes of Pistacia palaestina Leaves and Galls Pistacia palaestina 叶子和瘿中单萜的手性化学多态性。
IF 2.8 4区 化学
Chirality Pub Date : 2024-08-13 DOI: 10.1002/chir.23702
Einat Bar, Rachel Davidovich-Rikanati, Shashank Saini, Moshe Inbar, Efraim Lewinsohn
{"title":"Chiral Chemopolymorphism in the Monoterpenes of Pistacia palaestina Leaves and Galls","authors":"Einat Bar,&nbsp;Rachel Davidovich-Rikanati,&nbsp;Shashank Saini,&nbsp;Moshe Inbar,&nbsp;Efraim Lewinsohn","doi":"10.1002/chir.23702","DOIUrl":"10.1002/chir.23702","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Pistacia palaestina</i> Boiss. is a common tree in the Mediterranean maquis. The leaves of this plant accumulate defensive monoterpenes, whose levels greatly increase in galls induced by the aphid <i>Baizongia pistaciae</i>. We previously found a significant chemopolymorphism in monoterpene content among individual trees, but the chirality of these monoterpenes was unknown. Although most plant species specifically accumulate one enantiomeric form of a given compound, <i>P. palaestina</i> individuals display chemopolymorphism in the chirality of the key monoterpenes accumulated. We report here a marked enantiomeric variation for the limonene, α- and β-pinene, camphene, sabinene, δ-3-carene, and terpene-4-ol content in leaves and galls of nine different naturally growing <i>P. palaestina</i> trees. Interestingly, insect-induced gall monoterpene composition is an augmentation of the specific enantiopolymorphism originally displayed by each individual tree.</p>\u0000 </div>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141975202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Observation of the Liquid–Liquid Phase Separation of FUS-LC Using Vacuum-Ultraviolet Circular Dichroism Spectroscopy 利用真空-紫外光圆二色光谱观测 FUS-LC 的液-液相分离。
IF 2.8 4区 化学
Chirality Pub Date : 2024-08-11 DOI: 10.1002/chir.23707
Kentaro Fujii, Yudai Izumi, Nobuo Maita, Koichi Matsuo, Masato Kato
{"title":"Observation of the Liquid–Liquid Phase Separation of FUS-LC Using Vacuum-Ultraviolet Circular Dichroism Spectroscopy","authors":"Kentaro Fujii,&nbsp;Yudai Izumi,&nbsp;Nobuo Maita,&nbsp;Koichi Matsuo,&nbsp;Masato Kato","doi":"10.1002/chir.23707","DOIUrl":"10.1002/chir.23707","url":null,"abstract":"<div>\u0000 \u0000 <p>To reveal the structural mechanism by which the low-complexity domain of the fused in sarcoma protein (FUS-LC) mediates liquid–liquid phase separation (LLPS), we conducted a vacuum-ultraviolet circular dichroism (VUV-CD) spectroscopic study, a technique to analyze the secondary structures of proteins. The VUV-CD measurements were performed at the BL12 VUV-CD station at the Hiroshima Synchrotron Radiation Center (HiSOR) in Japan. CD spectra were measured between 180 and 260 nm while controlling the temperature of samples from 37°C to 5°C to obtain the LLPS of FUS-LC. The CD spectrum obtained at 37°C exhibited a large negative peak at 195 nm and a small negative shoulder near 220 nm. The peak intensity around 195 nm decreased as the sample temperature decreased. The spectral changes originated from the LLPS formation.</p>\u0000 </div>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141916220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Inherently Chiral Oligomers Based on Indole–Benzothiophene Core 基于吲哚-苯并噻吩核心的固有手性低聚物。
IF 2.8 4区 化学
Chirality Pub Date : 2024-08-07 DOI: 10.1002/chir.23710
Bartlomiej Bonczak, Sara Grecchi, Malinee Niamlaem, Gerardo Salinas, Roberto Cirilli, Serena Arnaboldi
{"title":"Inherently Chiral Oligomers Based on Indole–Benzothiophene Core","authors":"Bartlomiej Bonczak,&nbsp;Sara Grecchi,&nbsp;Malinee Niamlaem,&nbsp;Gerardo Salinas,&nbsp;Roberto Cirilli,&nbsp;Serena Arnaboldi","doi":"10.1002/chir.23710","DOIUrl":"10.1002/chir.23710","url":null,"abstract":"<p>In recent years, transductors of chiral information based on conducting polymers have gained considerable attention. In particular, inherently chiral materials, which allow differentiation between the antipodes of a chiral analyte in terms of energetic variations, are highly desired. In this work, we successfully synthesized a novel inherently chiral oligomer based on an indole–benzothiophene core, namely, 2-([2,2′-bithiophen]-5-yl)-3-(2-([2,2′-bithiophen]-5-yl)benzo[<i>b</i>]thiophen-3-yl)-<i>N</i>-methylindole (BTIndT<sub>4</sub>). The electrochemical characterization evidences a stabilization of electrogenerated radical cations due to the presence of the indole group, which guides the oligomerization, producing well-ordered polymeric matrices. Furthermore, the in situ electrochemical conductance analysis demonstrates a simultaneous intrachain and interchain transfer of charge carriers. Finally, the highly efficient enantiorecognition capabilities of the antipodes of the oligo-BTIndT<sub>4</sub> films toward the enantiomers of tryptophan and 3,4-dihydroxyphenylalanine (DOPA), as model chiral analytes, were demonstrated.</p>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/chir.23710","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141896942","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enantiomeric Analysis of Chiral Drugs Using Mass Spectrometric Methods: A Comprehensive Review 使用质谱方法分析手性药物的对映体：全面综述。
IF 2.8 4区 化学
Chirality Pub Date : 2024-08-06 DOI: 10.1002/chir.23705
Bhaskar Vallamkonda, Sonika Sethi, PhanikumarReddy Satti, Dipak Kumar Das, Suman Yadav, Vinod Kumar Vashistha
{"title":"Enantiomeric Analysis of Chiral Drugs Using Mass Spectrometric Methods: A Comprehensive Review","authors":"Bhaskar Vallamkonda,&nbsp;Sonika Sethi,&nbsp;PhanikumarReddy Satti,&nbsp;Dipak Kumar Das,&nbsp;Suman Yadav,&nbsp;Vinod Kumar Vashistha","doi":"10.1002/chir.23705","DOIUrl":"10.1002/chir.23705","url":null,"abstract":"<div>\u0000 \u0000 <p>Chirality plays a crucial role in the drug development process, influencing fundamental chemical and biochemical processes and significantly affecting our daily lives. This review provides a comprehensive examination of mass spectrometric (MS) methods for the enantiomeric analysis of chiral drugs. It thoroughly investigates MS-hyphenated techniques, emphasizing their critical role in achieving enantioselective analysis. Furthermore, it delves into the intricate chiral recognition mechanisms inherent in MS, elucidating the fundamental principles that govern successful chiral separations. By critically assessing the obstacles and potential benefits associated with each MS-based method, this review offers valuable insights for researchers navigating the complexities of chiral analysis. Both qualitative and quantitative approaches are explored, presenting a comparative analysis of their strengths and limitations. This review is aimed at significantly enhancing the understanding of chiral MS methods, serving as a crucial resource for researchers and practitioners engaged in enantioselective studies.</p>\u0000 </div>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141892995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
First Principles Simulations of Optical Rotation of Chiral Molecular Crystals 手性分子晶体光学旋转的第一原理模拟。
IF 2.8 4区 化学
Chirality Pub Date : 2024-08-05 DOI: 10.1002/chir.23709
Emmanuel Forson, Taylor Parsons, Marco Caricato
{"title":"First Principles Simulations of Optical Rotation of Chiral Molecular Crystals","authors":"Emmanuel Forson,&nbsp;Taylor Parsons,&nbsp;Marco Caricato","doi":"10.1002/chir.23709","DOIUrl":"10.1002/chir.23709","url":null,"abstract":"<div>\u0000 \u0000 <p>In this work, we present simulations of the optical rotation (OR) for five molecular crystals at density functional theory level with periodic boundary conditions (DFT-PBC). Calculations are compared with experimental measurements and show semi-quantitative agreement with experimental data for three of the crystals: tartatic acid, benzil, and pentaerythritol. For the other two crystals, aspartic acid and glutamic acid, the calculated data are in qualitative agreement with, but two orders of magnitude smaller than, the experimental data. We provide some arguments that support the theoretical predictions and suggest that the experiments should be revisited. We also find that the position of H centers provided in experimental X-ray data is not sufficiently reliable for simulating OR, and better results are obtained when H atoms are allowed to relax while keeping heavier elements fixed at the experimental positions. Comparison with molecular cluster calculations with a better functional and a larger basis set indicate that the role of intermolecular interactions (reproduced with the PBC technique) is as or more important than the choice of model chemistry. Despite the current limitations in the level of theory that can be employed, these simulations provide a promising avenue to investigate the effect of intermolecular interactions on this sensitive electronic property of molecules and materials.</p>\u0000 </div>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141888650","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cover Image, Volume 36, Issue 6 封面图片，第 36 卷第 6 期
IF 2.8 4区 化学
Chirality Pub Date : 2024-07-30 DOI: 10.1002/chir.23666
Massimiliano Gaeta, Gabriele Travagliante, Matteo Barcellona, Maria Elena Fragalà, Roberto Purrello, Alessandro D'Urso
{"title":"Cover Image, Volume 36, Issue 6","authors":"Massimiliano Gaeta,&nbsp;Gabriele Travagliante,&nbsp;Matteo Barcellona,&nbsp;Maria Elena Fragalà,&nbsp;Roberto Purrello,&nbsp;Alessandro D'Urso","doi":"10.1002/chir.23666","DOIUrl":"10.1002/chir.23666","url":null,"abstract":"<p>The cover image is based on the Research Article <i>Self-Assembled Chiral Film Based on Melanin Polymers</i> by Massimiliano Gaeta et al., https://doi.org/10.1002/chir.23695.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 6","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/chir.23666","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141867573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Helicenes on Surfaces: Stereospecific On-Surface Chemistry, Single Enantiomorphism, and Electron Spin Selectivity 表面上的烯烃：立体特异性表面化学、单一对映体和电子自旋选择性。
IF 2.8 4区 化学
Chirality Pub Date : 2024-07-30 DOI: 10.1002/chir.23706
Karl-Heinz Ernst
{"title":"Helicenes on Surfaces: Stereospecific On-Surface Chemistry, Single Enantiomorphism, and Electron Spin Selectivity","authors":"Karl-Heinz Ernst","doi":"10.1002/chir.23706","DOIUrl":"10.1002/chir.23706","url":null,"abstract":"<p>Helicenes represent an important class of chiral organic material with promising optoelectronic properties. Hence, functionalization of surfaces with helicenes is a key step towards new organic material devices. This review presents different aspects of adsorption and modification of metal surfaces with different helicene species. Topics addressed are chiral crystallization, that is, 2D conglomerate versus racemate crystallization, breaking of mirror-symmetry in racemates, chirality-induced spin selectivity, and stereoselective on-surface chemistry.</p>","PeriodicalId":10170,"journal":{"name":"Chirality","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/chir.23706","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141791986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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