Probing Spatial Proximities Between Protons of Collagen Protein in Native Bone Using 2D 1H Multiple Quantum Experiments Under Fast MAS NMR [0.03%]
利用快速去耦固体核磁共振二维氢多重量子实验研究天然骨胶原蛋白中质子的空间间距
Bijaylaxmi Patra,Vipin Agarwal,Yusuke Nishiyama et al.
Bijaylaxmi Patra et al.
In solid-state nuclear magnetic resonance (ssNMR) spectroscopy, fast magic angle spinning (MAS) is a potent technique that efficiently reduces line broadening and makes it possible to probe structural details of biological systems in high r...
Experimental and Computational NMR Studies of Large Alkaloids Exemplified With Vindoline Trimer: Advantages and Limitations [0.03%]
大生物碱的实验和计算核磁共振研究——以长春地辛为例：优势与局限性
Valentin A Semenov,Sergey V Zinchenko,Georges Massiot et al.
Valentin A Semenov et al.
The complete 1H and 13C NMR assignments of a trimeric vindoline together with its individual components, dimeric vindolicine and monomeric vindoline, are performed based on a thorough analysis of the ROESY, COSY, HSQC, and HMBC spectra in c...
DFT Calculations of 1H and 13C NMR Chemical Shifts of Hydroxy Secondary Oxidation Products of Geometric Isomers of Conjugated Linoleic Acid Methyl Esters: Structures in Solution and Revision of NMR Assignments [0.03%]
共轭亚油酸甲酯几何异构体羟基二次氧化产物的~1H和~(13)C核磁共振化学位移的从头算研究：溶液中的结构及NMR归属的修订
Themistoklis Venianakis,Michael G Siskos,Ioannis P Gerothanassis
Themistoklis Venianakis
Detailed DFT studies of 1H and 13C NMR chemical shifts of hydroxy secondary oxidation products of various geometric isomers of conjugated linolenic acids methyl esters are presented. Several low energy conformers were identified for model c...
Cross-Correlation Between 11B Quadrupole and 11B-19F Dipole-Dipole Coupling in BF2 Groups [0.03%]
BF2基团中~(11)B四极耦合与~(11)B-~(19)F偶极耦合的互相关系
Franziska Rüttger,Dominik Franke,Jannik Probst et al.
Franziska Rüttger et al.
We investigate cross-correlation between 11B quadrupole and 11B-19F dipole-dipole coupling in two BODIPY compounds and one bis(benzoxazol)methanide in partially oriented polystyrene (PS) samples. Especially for the bis(benzoxazol)methanide,...
Armando Navarro-Vázquez
Armando Navarro-Vázquez
The putative structures of alkaloids marinoaziridine A and B, the last a recent target of total synthesis, are here revised, on the basis of NMR computer-assisted structural elucidation and DFT prediction of 1H and 13C chemical shifts, as p...
Unlocking the Chemical Diversity of Plant Catharanthus roseus: Nuclear Magnetic Resonance Spectroscopy Approach [0.03%]
利用核磁共振技术研究夹竹桃化学成分多样性
Upasna Gupta,M P Kavya,K Jayalakshmi et al.
Upasna Gupta et al.
Catharanthus roseus, also known as Madagascar periwinkle, is a perennial plant renowned for its extensive pharmacological properties. It produces vital chemotherapeutic compounds, including vinblastine and vincristine, and exhibits anti-inf...
Nuclear Magnetic Resonance Spectroscopic Characterization and Determination of the New Psychoactive Substance Benzylone: Application in a Biological Fluid [0.03%]
新型精神活性物质苯甲基酮的核磁共振波谱表征及测定：在生物体液中的应用
D Florou,V A Boumba,G C Tsiafoulis
D Florou
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, th...
Evaluation of Automatic Analysis Software for 1H NMR Spectra Quantification. Impact of Signal Broadening and EDTA Addition [0.03%]
氢-1(NMR谱自动分析软件的评估定量。信号展宽和EDTA添加的影响
Circe C Hernández-Espino,Martha E García-Aguilera,Alan Emmanuel Aguilar Valeriano et al.
Circe C Hernández-Espino et al.
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 ...
Structure Elucidation of New Kavalactone Dimers From Alpinia zerumbet Pericarps Using NMR Calculations [0.03%]
基于核磁计算阐明姜黄果皮中两类新的依托酚对茋结构式
Yuto Nishidono,Ken Tanaka
Yuto Nishidono
Alpinia zerumbet (Pers.) B.L.Burtt & 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 treat...
On the Use of Strong Proton Donors as a Tool for Overcoming Line Broadening in NMR: A Comment [0.03%]
关于使用强质子供体作为克服NMR谱线展宽的工具的评论
Pantelis Charisiadis,Themistoklis Venianakis,Christina D Papaemmanouil et al.
Pantelis Charisiadis et al.
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 t...