Magnetic Resonance in Chemistry最新文献

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Nuclear Magnetic Resonance Spectroscopic Characterization and Determination of the New Psychoactive Substance Benzylone: Application in a Biological Fluid 新型精神活性物质苯甲酮的核磁共振光谱表征与测定:在生物流体中的应用。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-12-09 DOI: 10.1002/mrc.5500
D. Florou, V. A. Boumba, G. C. Tsiafoulis
{"title":"Nuclear Magnetic Resonance Spectroscopic Characterization and Determination of the New Psychoactive Substance Benzylone: Application in a Biological Fluid","authors":"D. Florou,&nbsp;V. A. Boumba,&nbsp;G. C. Tsiafoulis","doi":"10.1002/mrc.5500","DOIUrl":"10.1002/mrc.5500","url":null,"abstract":"<p>New psychoactive substances (NPS)—designed to mimic various legal or illegal substances—are an emerging worldwide health problem. Their identification and quantification in either complex seized samples or powders are critical; moreover, their determination in biological fluids is an intriguing goal in the forensic toxicology field. Synthetic cathinones are one of the most important groups among NPS. The current paper was designed as a pilot study to investigate the application of NMR techniques to identify and quantify unknown NPS compounds in deuterated dimethyl sulfoxide (DMSO-<i>d</i><sub>6</sub>) and in urine using the synthetic cathinone benzylone (3,4-methylenedioxy-<i>N</i>-benzylcathinone, BMDP) as a pilot compound. In the first part of our study, nuclear magnetic resonance (NMR) spectroscopic characterization was performed using 1D and 2D homonuclear and heteronuclear NMR spectroscopic methods as long as diffusion ordered spectroscopy (DOSY). Following the above, the assignment of benzylone in DMSO-<i>d</i><sub>6</sub> was performed, and a distinct spectroscopic pattern was proposed. In the second part of our study, a NMR spectroscopic approach was applied for benzylone identification and quantification in a spiked with benzylone urine. Following the above, the assignment of benzylone in spiked urine was performed. A distinct pattern of the H11, H14, H15, and H8 signals on the <sup>1</sup>H NMR spectra was observed and suggested as a “NMR spectroscopic pattern/signature” enabling the identification of benzylone moieties in urine. On the other hand, the applied NMR techniques showed low sensitivity in quantitating benzylone in spiked urine. Overall, our results are promising in using NMR for structure determination of unknown compounds in urine.</p>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 3","pages":"195-204"},"PeriodicalIF":1.4,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mrc.5500","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142801454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Evaluation of Automatic Analysis Software for 1H NMR Spectra Quantification. Impact of Signal Broadening and EDTA Addition 1H NMR谱定量自动分析软件的评价。信号展宽和EDTA添加的影响。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-12-08 DOI: 10.1002/mrc.5503
Circe C. Hernández-Espino, Martha E. García-Aguilera, Alan Emmanuel Aguilar Valeriano, Nuria Esturau-Escofet
{"title":"Evaluation of Automatic Analysis Software for 1H NMR Spectra Quantification. Impact of Signal Broadening and EDTA Addition","authors":"Circe C. Hernández-Espino,&nbsp;Martha E. García-Aguilera,&nbsp;Alan Emmanuel Aguilar Valeriano,&nbsp;Nuria Esturau-Escofet","doi":"10.1002/mrc.5503","DOIUrl":"10.1002/mrc.5503","url":null,"abstract":"<div>\u0000 \u0000 <p>NMR is a well-established analytical technique that enables the identification and quantification of several compounds in complex mixtures. The implementation of automated analysis software enhances this process by comparing sample spectra with a library of standard reference spectra. One of the key parameters in libraries is the signal line width; however, this may result in a concentration bias for compounds with broad signals, particularly those that are complexing. This study aims to evaluate the quantification of seven compounds commonly present in wine with complexing activity. Four automatic programs and manual deconvolution were used to quantify mixtures of these compounds at known concentrations, both in the presence of cations and with the addition of ethylenediamine-tetraacetate (EDTA) as a chelating agent. Additionally, malate was quantified in a wine sample using the standard addition method, both with and without EDTA. The findings illustrate that three of the programs, which employ the signal width value, underestimate compound concentrations in the presence of cations due to signal broadening. This error was mitigated by the EDTA addition. In contrast, the remaining software, which did not utilize signal line width, obtained similar concentrations in both cases. Future investigations involving the automatic analysis of compounds with complexing activity should take care of sample preparation and/or algorithm selection. Furthermore, future software development should consider allowing flexible adjustments of signal line width in their workflow.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 3","pages":"186-194"},"PeriodicalIF":1.4,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142794959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Structure Elucidation of New Kavalactone Dimers From Alpinia zerumbet Pericarps Using NMR Calculations 用核磁共振计算分析白果皮中新的卡瓦内酯二聚体的结构。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-12-05 DOI: 10.1002/mrc.5501
Yuto Nishidono, Ken Tanaka
{"title":"Structure Elucidation of New Kavalactone Dimers From Alpinia zerumbet Pericarps Using NMR Calculations","authors":"Yuto Nishidono,&nbsp;Ken Tanaka","doi":"10.1002/mrc.5501","DOIUrl":"10.1002/mrc.5501","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Alpinia zerumbet</i> (Pers.) B.L.Burtt &amp; R.M.Sm, known as shell ginger, is an aromatic plant widely distributed in tropical and subtropical regions. In Guizhou Province of China, its mature fruits have been used by the Miao people for the treatment of cardiovascular diseases. Although the bioactivities of mature fruits of <i>A. zerumbet</i> are derived from phytochemicals in the seeds and pericarps of the plant, there remains a dearth of reports on the isolation of phytochemicals from the pericarp of <i>A. zerumbet</i>. In the present study, the pericarps of mature fruits of <i>A. zerumbet</i> were extracted, and two new kavalactone dimers, alpingsin E (<b>1</b>) and aniba dimer D (<b>2</b>), were isolated. Their structures were determined on the basis of extensive spectroscopic analysis and NMR calculations. Especially, density functional theory–based NMR chemical shift calculations were employed to elucidate and confirm the relative configuration of <b>1</b> and <b>2</b>.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 3","pages":"180-185"},"PeriodicalIF":1.4,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142786082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
On the Use of Strong Proton Donors as a Tool for Overcoming Line Broadening in NMR: A Comment 利用强质子供体作为克服核磁共振谱线加宽的工具:评论。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-12-04 DOI: 10.1002/mrc.5499
Pantelis Charisiadis, Themistoklis Venianakis, Christina D. Papaemmanouil, Alexandra Primikyri, Andreas G. Tzakos, Michael G. Siskos, Ioannis P. Gerothanassis
{"title":"On the Use of Strong Proton Donors as a Tool for Overcoming Line Broadening in NMR: A Comment","authors":"Pantelis Charisiadis,&nbsp;Themistoklis Venianakis,&nbsp;Christina D. Papaemmanouil,&nbsp;Alexandra Primikyri,&nbsp;Andreas G. Tzakos,&nbsp;Michael G. Siskos,&nbsp;Ioannis P. Gerothanassis","doi":"10.1002/mrc.5499","DOIUrl":"10.1002/mrc.5499","url":null,"abstract":"<p>Overcoming line broadening of labile protons and achieving high-resolution NMR spectra is crucial for the structural and conformational analysis of organic molecules. Recently, Ma et al. (Magn. Reson. Chem. 2024, 62, 198–207) demonstrated the effectiveness of 2,2,2-trifluoroacetic acid (TFA) in sharpening NMR signals for nitrogen-containing compounds which exhibit prototropic tautomerization or conformational isomerism using high molar ratio of [acids]/[solute] ~ 5 to 200. In this commentary, we provide an overview of earlier publications and highlight the extensive applications of TFA in enhancing NMR resolution across a variety of organic functional groups, with the use of very small ratios of [acids]/[solute] ~ 10<sup>−3</sup> to 10<sup>−2</sup>. The prospects for the unequivocal structure analysis using labile protons as the starting point will be analyzed.</p>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 3","pages":"170-179"},"PeriodicalIF":1.4,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mrc.5499","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142780472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Enhancing Forensic Laboratories Through University Collaboration: Obtaining Conclusive Reports and Reference Materials via NMR 通过大学合作加强法医实验室:通过 NMR 获取结论性报告和参考材料。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-11-28 DOI: 10.1002/mrc.5497
Luciano Chaves Arantes, Dâmaris Silveira, Gabriel Magno Sousa de Azerêdo, Omar Enrique Estrada Semprun, Aline Lima de Oliveira, Luiz Eduardo Celino Benedito, Luciano Morais Lião, Gerlon de Almeida Ribeiro Oliveira
{"title":"Enhancing Forensic Laboratories Through University Collaboration: Obtaining Conclusive Reports and Reference Materials via NMR","authors":"Luciano Chaves Arantes,&nbsp;Dâmaris Silveira,&nbsp;Gabriel Magno Sousa de Azerêdo,&nbsp;Omar Enrique Estrada Semprun,&nbsp;Aline Lima de Oliveira,&nbsp;Luiz Eduardo Celino Benedito,&nbsp;Luciano Morais Lião,&nbsp;Gerlon de Almeida Ribeiro Oliveira","doi":"10.1002/mrc.5497","DOIUrl":"10.1002/mrc.5497","url":null,"abstract":"<div>\u0000 \u0000 <p>Forensic laboratories play a pivotal role in identifying and quantifying drugs in police seizures, often using spectroscopic techniques in combination with chromatographic methods that rely on chemical reference substances (CRS). The demand for a wide variety of CRS is critical, not only for common drugs like cocaine but also for the rapidly increasing number of new psychoactive substances (NPS), which emerge weekly. However, acquiring CRS is costly and bureaucratic because of the restricted circulation of these substances. Nuclear magnetic resonance (NMR) offers a viable alternative to identifying and quantifying substances without the need for specific CRS for each analyte. Although NMR equipment is commonly available at universities, it is typically absent from police laboratories because of its high initial cost. This work highlights a successful partnership between a forensic laboratory and university-based NMR facilities as a cost-effective strategy for obtaining CRS. A case study involving four substances—cocaine, two recently scheduled NPS, metonitazene and dipentylone, and ADB-5′Br-BUTINACA—demonstrates the effectiveness of this collaboration. This partnership allowed the generation of conclusive reports for seized substances, providing early warnings about NPS and helping to prevent potential outbreaks and public health crises. Additionally, the strategy facilitated the acquisition of expensive CRS from samples that would otherwise be destroyed, at a reduced cost and within a shorter timeframe. Furthermore, this partnership enhances student training in advanced instrumental analysis and research, showcasing the benefits of collaboration between forensic and academic institutions.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 2","pages":"155-166"},"PeriodicalIF":1.4,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142739832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Structural Elucidation and NMR Spectral Assignments of New Diphenyl Ether Derivatives From Liuweizhiji Gegen-Sangshen Oral Liquid 六味地黄口服液中新的二苯醚衍生物的结构阐释和核磁共振谱定位
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-11-18 DOI: 10.1002/mrc.5496
Jinghao Cui, Xin Zhou, Baorui Teng, Dan Zhang, Xiujuan Fu, Siwei Chen, Sijing Liu, Zhi Li, Hui Lei
{"title":"Structural Elucidation and NMR Spectral Assignments of New Diphenyl Ether Derivatives From Liuweizhiji Gegen-Sangshen Oral Liquid","authors":"Jinghao Cui,&nbsp;Xin Zhou,&nbsp;Baorui Teng,&nbsp;Dan Zhang,&nbsp;Xiujuan Fu,&nbsp;Siwei Chen,&nbsp;Sijing Liu,&nbsp;Zhi Li,&nbsp;Hui Lei","doi":"10.1002/mrc.5496","DOIUrl":"10.1002/mrc.5496","url":null,"abstract":"<div>\u0000 \u0000 <p>Chemical investigation of the Liuweizhiji Gegen-Sangshen oral liquid afforded one new diphenyl ether derivative (<b>1</b>), together with one known compound (<b>2</b>). Their structures were established by 1D and 2D NMR, and HR-ESI-MS spectroscopic analysis and the absolute configuration of <b>1</b> was confirmed by ECD calculation. Compounds <b>1</b> and <b>2</b> were evaluated for the cytotoxic activities, and compounds <b>1</b> and <b>2</b> showed weak cytotoxic activities towards HepG2 human liver cancer cells, with IC<sub>50</sub> values of 97.3 and 79.6 μM, respectively.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 2","pages":"151-154"},"PeriodicalIF":1.4,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142667467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Liquid-Phase NMR of Humic and Fulvic Acids 腐殖酸和富味酸的液相核磁共振。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-11-16 DOI: 10.1002/mrc.5493
Leonid B. Krivdin
{"title":"Liquid-Phase NMR of Humic and Fulvic Acids","authors":"Leonid B. Krivdin","doi":"10.1002/mrc.5493","DOIUrl":"10.1002/mrc.5493","url":null,"abstract":"<div>\u0000 \u0000 <p>Present review focuses on the most recent advances in the NMR of the coal-derived humic and fulvic acids, covering exclusively the results of the liquid-phase NMR and leaving apart an overwhelming amount of publications dealing with the solid-state NMR investigations in this field (the latter are comprehensively reviewed elsewhere). Owing to the complexity of humic and fulvic acids together with other coal-derived products, their <sup>1</sup>H and <sup>13</sup>C NMR spectra consist of a number of overlapping signals belonging to different hydrocarbon types. Comprehensive studies of humic and fulvic acids by means of NMR revealed characteristic functional groups of their composition together with spectral regions in which they resonate. Quantitative <sup>1</sup>H and <sup>13</sup>C NMR spectra characterize aromatic and saturated carbons spread over many structural moieties, which provides a solid guideline into molecular structure of humic and fulvic acids together with parent coal-derived products. Nowadays, quantitative <sup>13</sup>C NMR measurements yield information about a variety of structural parameters such as functional group distribution, aromaticity, degree of condensation of aromatic rings, and medium chain lengths together with many other more specific parameters. The structural NMR studies of the coal-derived products are developing on a background of a marked progress in experimental and computational NMR. Discussed in the present review are the most recent advances in the liquid-state NMR studies of the coal-derived humic and fulvic acids together with their processing products.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 2","pages":"128-150"},"PeriodicalIF":1.4,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142644446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Two New Alkaloids of the Endophytic Fungus Rhizopus oryzae From Atractylodes macrocephala Koidz 白术内生真菌 Rhizopus oryzae 的两种新生物碱 Koidz.
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-11-15 DOI: 10.1002/mrc.5495
Yue Meicen, Lei Hui, Teng Baorui, Fu Xiujuan, Chen Siwei, Wang Zan, Zhang Dan, Luo Yu
{"title":"Two New Alkaloids of the Endophytic Fungus Rhizopus oryzae From Atractylodes macrocephala Koidz","authors":"Yue Meicen,&nbsp;Lei Hui,&nbsp;Teng Baorui,&nbsp;Fu Xiujuan,&nbsp;Chen Siwei,&nbsp;Wang Zan,&nbsp;Zhang Dan,&nbsp;Luo Yu","doi":"10.1002/mrc.5495","DOIUrl":"10.1002/mrc.5495","url":null,"abstract":"<div>\u0000 \u0000 <p>Two new alkaloids, named migenomycin I (<b>1</b>) and II (<b>2</b>), along with nine known compounds (<b>3–11</b>), were isolated from the fungus <i>Rhizopus oryzae</i> from <i>Atractylodes macrocephala</i> Koidz. The structures of compounds <b>1</b> and <b>2</b> were determined by spectroscopic methods (MS, NMR, and CD). All compounds were isolated from <i>Rhizopus oryzae</i> for the first time. In addition, the antitumor activities of compounds <b>1</b> and <b>2</b> and the hypoglycemic activities of most compounds were evaluated.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 2","pages":"122-127"},"PeriodicalIF":1.4,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142622425","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
HRMAS NMR for Studying Solvent-Induced Mobility of Polymer Chains and Metallocene Migration Into Low-Density Polyethylene (LDPE) HRMAS NMR 用于研究溶剂诱导的聚合物链流动性以及茂金属向低密度聚乙烯 (LDPE) 的迁移。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-11-06 DOI: 10.1002/mrc.5484
John C. Hoefler, Maxwell R. Kimball, Janet Blümel
{"title":"HRMAS NMR for Studying Solvent-Induced Mobility of Polymer Chains and Metallocene Migration Into Low-Density Polyethylene (LDPE)","authors":"John C. Hoefler,&nbsp;Maxwell R. Kimball,&nbsp;Janet Blümel","doi":"10.1002/mrc.5484","DOIUrl":"10.1002/mrc.5484","url":null,"abstract":"<div>\u0000 \u0000 <p>HRMAS (high-resolution magic angle spinning) nuclear magnetic resonance (NMR) spectroscopy of low-density polyethylene (LDPE) affords <sup>1</sup>H and <sup>13</sup>C NMR spectra with superior resolution. For acquiring HRMAS NMR spectra, the polymer is first swollen with representative organic solvents. Then, the samples are measured with a conventional solid-state NMR spectrometer in the wideline mode or at the low spinning speed of 2 kHz. Anisotropic interactions like CSA (chemical shift anisotropy) and dipolar interactions are reduced due to the additional mobility of the polymer chains in the presence of the solvent within the polymer network. The combined effect of this mobility and MAS leads to signals with substantially reduced halfwidths as compared to classic MAS of the dry polymer. With HRMAS, all signals of the polymer become visible, and the spectra can be used for a quick and easy assessment of the polymer swelling behavior in diverse solvents. Being able to characterize polymers on the molecular level, and identifying the solvents that penetrate the polymer network best, enables the study of post-synthesis modifications of the polymers. It is demonstrated by paramagnetic HRMAS that the metallocene nickelocene (Cp<sub>2</sub>Ni) penetrates the LDPE network along with the solvent and is homogeneously dispersed in the polymer. SEM images prove that the structure of the polymer is not altered by the presence of a solvent and Cp<sub>2</sub>Ni. The impact of the paramagnetic Cp<sub>2</sub>Ni on the <sup>1</sup>H signal halfwidth and T<sub>1</sub> time of LDPE is studied. HRMAS allows a quick assessment of metal complexes regarding their ability to penetrate the LDPE network and therefore supports future studies of catalytic polymer degradation.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 2","pages":"110-121"},"PeriodicalIF":1.4,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142591104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Structural Elucidation and Complete NMR Spectral Assignments of Monascus Monacolin Analogs Monascus Monacolin 类似物的结构阐释和完整 NMR 光谱分配。
IF 1.4 3区 化学
Magnetic Resonance in Chemistry Pub Date : 2024-11-05 DOI: 10.1002/mrc.5489
Jiachen Liu, Qingjiang Xu, Xin Wang, Ronghua Pan, Lizhong Zheng, Yonghong Zhang, Xiaoya Shang, Nan Wang
{"title":"Structural Elucidation and Complete NMR Spectral Assignments of Monascus Monacolin Analogs","authors":"Jiachen Liu,&nbsp;Qingjiang Xu,&nbsp;Xin Wang,&nbsp;Ronghua Pan,&nbsp;Lizhong Zheng,&nbsp;Yonghong Zhang,&nbsp;Xiaoya Shang,&nbsp;Nan Wang","doi":"10.1002/mrc.5489","DOIUrl":"10.1002/mrc.5489","url":null,"abstract":"<div>\u0000 \u0000 <p>One new monacolin analog, monacolin V (<b>1</b>), together with two new monacolin-like natural products, 6-hydroxyl monacolin P (<b>2</b>) and 3-keto monacolin S (<b>3</b>), were isolated from the ethyl acetate portion of red yeast rice ethanol extract. Their structures were identified by HRESIMS and NMR experiments, and the complete assignments of <sup>1</sup>H and <sup>13</sup>C NMR data for three compounds were obtained by the aid of HSQC, HMBC, <sup>1</sup>H-<sup>1</sup>H COSY, and NOESY data. This is the first time that the NMR data of compounds <b>2</b> and <b>3</b> have been fully assigned.</p>\u0000 </div>","PeriodicalId":18142,"journal":{"name":"Magnetic Resonance in Chemistry","volume":"63 2","pages":"105-109"},"PeriodicalIF":1.4,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142583169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
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