Results 11 to 20 of about 6,921,159 (245)

Solid-state NMR for the characterization of retinal chromophore and Schiff base in TAT rhodopsin embedded in membranes under weakly acidic conditions

Biophysics and Physicobiology, 2023
TAT rhodopsin extracted from the marine bacterium SAR11 HIMB114 has a characteristic Thr-Ala-Thr motif and contains both protonated and deprotonated states of Schiff base at physiological pH conditions due to the low pKa.
Sui Arikawa, Teppei Sugimoto, Takashi Okitsu, Akimori Wada, Kota Katayama, Hideki Kandori, Izuru Kawamura   +6 more
doaj   +1 more source

Interaction of TX-100 and Antidepressant Imipramine Hydrochloride Drug Mixture: Surface Tension, ¹H NMR, and FT-IR Investigation

Gels, 2022
Interfacial interaction amongst the antidepressant drug-imipramine hydrochloride (IMP) and pharmaceutical excipient (triton X-100 (TX-100-nonionic surfactant)) mixed system of five various ratios in dissimilar media (H2O/50 mmol·kg−1 NaCl/250 mmol·kg−1 ...
Malik Abdul Rub, Naved Azum, Dileep Kumar, Abdullah M. Asiri   +3 more
doaj   +1 more source

A Comprehensive Computational NMR Analysis of Organic Polyarsenicals including the Marine Sponge-Derived Arsenicins A–D and Their Synthetic Analogs

Marine Drugs, 2023
The adamantane structure of arsenicin A and nor-adamantane structures of arsenicins B–D have gained attention as unique natural polyarsenicals, as well as hits showing promising anticancer activity.
Andrea Defant, Ines Mancini
doaj   +1 more source

Spectroscopy, Crystal and Molecular Structures of New 4-Acylpyrazolone Dinitrophenylhydrazones

Crystals, 2016
Still looking at the development of new materials with unique properties and taking advantage of the nucleophilic properties of amines to form stable azomethines, dinitrophenylhydrazine was reacted with 4-ethyl-5-methyl-2-phenyl-pyrazol-3-one and then ...
Omoruyi G. Idemudia, Eric C. Hosten
doaj   +1 more source

Computational and Experimental ¹H-NMR Study of Hydrated Mg-Based Minerals

Molecules, 2020
Magnesium oxide (MgO) can convert to different magnesium-containing compounds depending on exposure and environmental conditions. Many MgO-based phases contain hydrated species allowing 1H-nuclear magnetic resonance (NMR) spectroscopy to be used in the ...
Eric G. Sorte, Jessica M. Rimsza, Todd M. Alam   +2 more
doaj   +1 more source

¹H/¹³C chemical shift calculations for biaryls: DFT approaches to geometry optimization

Royal Society Open Science, 2021
Twelve common density functional methods and seven basis sets for geometry optimization were evaluated on the accuracy of 1H/13C NMR chemical shift calculations for biaryls. For these functionals, 1H shifts calculations for gas phase optimized geometries
Thien T. Nguyen
doaj   +1 more source

Magnetic Aromaticity of Cycloporphyrin Nanorings

Chemistry, 2021
The ascertainment of magnetic aromaticity is not necessarily straightforward, especially for large and bent systems, such as the cycloporphyrin nanorings recently synthesized by the group of Anderson.
Alessandro Landi, Francesco Ferdinando Summa, Guglielmo Monaco   +2 more
doaj   +1 more source

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

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   +1 more source

Investigating Relationships between the Crystal Structure and 31P Isotropic Chemical Shifts in Calcined Aluminophosphates [PDF]

, 2014
Solid-state NMR spectra have historically been assigned using simple relationships between NMR parameters, e.g., the isotropic chemical shift, and aspects of the local structure of the material in question, e.g., bond angles or lengths.
Daniel M. Dawson, Ashbrook, Sharon Elizabeth, Sharon E. Ashbrook, Dawson, Daniel McLean   +3 more
core   +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