Results 1 to 10 of about 1,635,553 (300)

¹³C NMR Chemical Shifts of Saccharides in the Solid State: A Density Functional Theory Study [PDF]

Magnetochemistry, 2023
In this work we present a systematic, theoretical investigation of the 13C NMR chemical shifts for several mono-, di- and trisaccharides in the solid state.
Hadeel Moustafa, Flemming H. Larsen, Anders Ø. Madsen, Stephan P. A. Sauer   +3 more
doaj   +2 more sources

Multivariate metal-organic frameworks enable chemical shift-encoded MRI with femtomolar sensitivity for biological systems [PDF]

Nature Communications
Fluorescent molecules with specific target moieties are essential for histopathological analysis, but their limited tissue penetration depth makes in vivo, in situ color encoding analysis challenging.
Qingbin Zeng, Quer Yue, Ming Zhang, Rui Zhou, Zhen Wang, Zhongyu Xiao, Yaping Yuan, Xiuchao Zhao, Weiping Jiang, Lei Zhang, Yuqi Yang, Minghui Yang, Haidong Li, Louis-S. Bouchard, Qianni Guo, Xin Zhou   +15 more
doaj   +2 more sources

NMR chemical shift assignment of UEV domain of ubiquitin-conjugating enzyme E2 variant 3 lactate dehydrogenase (UEVLD). [PDF]

Biomol NMR Assign
Vazquez JG, Nyenhuis DA, Strub MP, Tjandra N.   +3 more
europepmc   +2 more sources

Electronic structures and spectra of conducting anthracene derivatives [PDF]

Journal of the Serbian Chemical Society, 2008
Theoretical studies on anthracene and a series of its derivatives were performed using the AM1 method and DFT. Based on B3LYP/6-31G(d) optimized geometries, the electronic, IR and NMR spectra of anthracene oligomers were calculated using the Indo/Cis ...
Wang Zhongfa, Wu Shi
doaj   +3 more sources

Assessment of Tissue Specific Distribution and Seasonal Variation of Alkaloids in Alstonia scholaris

Metabolites, 2022
Alstonia scholaris is a well-known source of alkaloids and widely recognized for therapeutic purposes to treat the ailments in human and livestock. However, the composition and production of alkaloids vary due to tissue specific metabolism and seasonal ...
Rohit Mahar, Nagarajan Manivel, Sanjeev Kanojiya, Dipak K. Mishra, Sanjeev K. Shukla   +4 more
doaj   +1 more source

Does Chemical Shift Magnetic Resonance Imaging Improve Visualization of Pars Interarticularis Defect?

Indian Journal of Radiology and Imaging, 2023
Introduction A unilateral or bilateral pars interarticularis defect (spondylolysis) is a leading cause of axial back pain in adolescent athletes. Currently, a spectrum of imaging modalities is used for assessment of pars interarticularis defects.
Emily Smith, Neha Nischal, Jennifer Murphy, Christine Azzopardi, Karthikeyan P. Iyengar, Shahnawaz Haleem, Rajesh Botchu   +6 more
doaj   +1 more source

Spectral Data Analysis and Identification of Vancomycin Hydrochloride

Frontiers in Chemistry, 2021
Objective: To establish a method for the determination of the chemical structure of vancomycin hydrochloride.Methods: Nuclear magnetic resonance spectroscopy and mass spectrometry were conducted to analyze the chemical structure of vancomycin ...
Ye Tian, Xiaomeng Chong, Shangchen Yao, Mingzhe Xu   +3 more
doaj   +1 more source

Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers

Molecules, 2023
The relationship between the strength of a halogen bond (XB) and various IR and NMR spectroscopic quantities is assessed through DFT calculations. Three different Lewis acids place a Br or I atom on a phenyl ring; each is paired with a collection of N ...
Akhtam Amonov, Steve Scheiner
doaj   +1 more source

Structure and Intramolecular Mobility of Some Derivatives of Bis(thio)phosphorylated Amides in CD₂Cl₂ and CD₃CN Solutions

Учёные записки Казанского университета: Серия Естественные науки, 2023
The structure and intramolecular mobility of some derivatives of bis(thio)phosphorylated amides in CCl4, CD2Cl2, and CD3CN solutions were examined by 1H and 31P NMR spectroscopy.
F. Kh. Karataeva, I. Z. Rakhmatullin, N. F. Galiullina, V. V. Klochkov   +3 more
doaj   +1 more source

Exploitation of Baird Aromaticity and Clar’s Rule for Tuning the Triplet Energies of Polycyclic Aromatic Hydrocarbons

Chemistry, 2021
Polycyclic aromatic hydrocarbons (PAH) are a prominent substance class with a variety of applications in molecular materials science. Their electronic properties crucially depend on the bond topology in ways that are often highly non-intuitive.
Felix Plasser
doaj   +1 more source