Theoretical study addressing the effects of tautomerism and explicit/implicit water molecules on NQR and NMR parameters of tetrazole-5-thione [0.03%]
关于四氮唑-5-硫的互变异构体以及显式/隐式水分子对NQR和NMR参数影响的理论研究
Arezoo Tahan
Arezoo Tahan
DFT/B3LYP calculations were employed to study the effects of tautomerism and explicit/implicit water molecules on Nuclear Quadrupole Resonance (NQR) and Nuclear Magnetic Resonance (NMR) tensors of nitrogen nuclei in tetrazole-5-thione struc...
Assessing 2D electrophoretic mobility spectroscopy (2D MOSY) for analytical applications [0.03%]
二维MOSY（二维电泳迁移光谱）的评估及其分析应用
Yuan Fang,Pavel V Yushmanov,István Furó
Yuan Fang
Electrophoretic displacement of charged entity phase modulates the spectrum acquired in electrophoretic NMR experiments, and this modulation can be presented via 2D FT as 2D mobility spectroscopy (MOSY) spectra. We compare in various mixed ...
Tangi Jézéquel,Valentin Joubert,Patrick Giraudeau et al.
Tangi Jézéquel et al.
The most widely used method for isotope analysis at natural abundance is isotope ratio monitoring by Mass Spectrometry (irm-MS) which provides bulk isotopic composition in 2 H, 13 C, 15 N, 18 O or 34 S. However, in the 1980s, the direct acc...
Solid-state NMR study on changes of phosphate and proton species in metal pyrophosphate composite (MP2 O7 -MO2 ) ceramics [0.03%]
金属次磷酸盐复合陶瓷(MP2O7-MO2)中磷氧和质子物种变化的固态核磁研究
Masakazu Nishida,Tomoko Tanaka,Wataru Kanematsu
Masakazu Nishida
In order to investigate the effects of composite production and the role of the counter cation for metal phosphate conductors, changes in the solid-state nuclear magnetic resonance (NMR) spectra and magnetic relaxation times caused by the r...
Structural analysis of oleanane-type saponins from the roots of Wisteria frutescens [0.03%]
野地紫藤根木兰花素型皂苷的结构研究
Anne-Sophie Champy,Anne-Claire Mitaine-Offer,Tomofumi Miyamoto et al.
Anne-Sophie Champy et al.
Structure and absolute configuration of hydroxy-bis-dihydrofarinosin from Encelia farinosa [0.03%]
皱叶千里光中羟基-双角叉菜半乳糖醛酸聚糖的结构和绝对构型
Alfredo R Ortega,Naytzé Ortiz-Pastrana,Leovigildo Quijano et al.
Alfredo R Ortega et al.
The structure of the dimeric eudesmanolide hydroxy-bis-dihydrofarinosin (1) from Encelia farinosa followed after contrasting their 1 H and 13 C NMR spectra with those of encelin (6), hydroxy-bis-dihydroencelin (3), and farinosin (4). Struct...
Pyruvate cellular uptake and enzymatic conversion probed by dissolution DNP-NMR: the impact of overexpressed membrane transporters [0.03%]
膜转运蛋白过表达对细胞摄取丙酮酸和酶促转化的影响——一种解吸DNP-NMR探测方法
Riccardo Balzan,Laetitia Fernandes,Laetitia Pidial et al.
Riccardo Balzan et al.
Pyruvate membrane crossing and its lactate dehydrogenase-mediated conversion to lactate in cells featuring different levels of expression of membrane monocarboxylate transporters (MCT4) were probed by dissolution dynamic nuclear polarizatio...
Study of spontaneous E/Z isomerization of bis[(Z)-cyanomethylidene]-diazapentacyclodienedicarboxylates by 1 H, 13 C, and 15 N NMR spectroscopy, X-ray, and quantum chemical calculation data [0.03%]
基于1H、13C和15N核磁共振光谱、X射线及量子化学计算数据的双[{(Z)-氰甲基亚胺基}代环戊二烯基二羧酸酯]E/Z异构化研究
Andrei V Afonin,Alexander V Vashchenko,Alexander I Albanov et al.
Andrei V Afonin et al.
X-ray data show that the diethyl 6,13-bis[(Z)-cyanomethylidene]-5,5,14,14-tetramethyl-4,15-dioxa-7,12-diazapentacyclo[9.5.2.02,10 .03,7 .012,16 ]octadeca-8,17-diene-10,17-dicarboxylate is formed as the ZZ isomer and diastereomer with the (1...
Real time band selective F1 -decoupled proton NMR for the demixing of overlay spectra of chiral molecules [0.03%]
实时F1去耦手性分子叠加谱的分量_demixing一词可译为“分离”或“拆分”等，此处根据语境翻译为“分量”，更符合中文习惯用法。
Nilamoni Nath,Ajay Verma,Bikash Baishya et al.
Nilamoni Nath et al.
The small chemical shift dispersion and complex multiplicity pattern in proton NMR limit quantifications, for instance the determination of enantiomeric excess (ee) for an enantiomeric mixture. Herein, we present a simple proton-proton corr...
Autonomous driving in NMR [0.03%]
核磁共振中的自动驾驶
Manuel Perez
Manuel Perez
The automatic analysis of NMR data has been a much-desired endeavour for the last six decades, as it is the case with any other analytical technique. This need for automation has only grown as advances in hardware; pulse sequences and autom...