ChemInform Abstract: 1H-NMR as a Structural and Analytical Tool of Intra- and Inter-Molecular Hydrogen Bonds of Phenol-Containing Natural Products and Model Compounds

ChemInform ◽  
2016 ◽  
Vol 47 (26) ◽  
Author(s):  
Pantelis Charisiadis ◽  
Vassiliki G. Kontogianni ◽  
Constantinos G. Tsiafoulis ◽  
Andreas G. Tzakos ◽  
Michael Siskos ◽  
...  
Keyword(s):  
Natural Products ◽  
Hydrogen Bonds ◽  
1H Nmr ◽  
Molecular Hydrogen ◽  
Analytical Tool ◽  
Model Compounds

scholarly journals 1H-NMR as a Structural and Analytical Tool of Intra- and Intermolecular Hydrogen Bonds of Phenol-Containing Natural Products and Model Compounds

Molecules ◽  
2014 ◽  
Vol 19 (9) ◽  
pp. 13643-13682 ◽  
Author(s):  
Pantelis Charisiadis ◽  
Vassiliki Kontogianni ◽  
Constantinos Tsiafoulis ◽  
Andreas Tzakos ◽  
Michael Siskos ◽  
...  
Keyword(s):  
Natural Products ◽  
Hydrogen Bonds ◽  
1H Nmr ◽  
Analytical Tool ◽  
Model Compounds ◽  
Intermolecular Hydrogen Bonds

scholarly journals Molecular Hydrogen as a Lewis Base in Hydrogen Bonds and Other Interactions

Molecules ◽  
2020 ◽  
Vol 25 (14) ◽  
pp. 3294 ◽  
Author(s):  
Sławomir J. Grabowski
Keyword(s):  
Hydrogen Bonds ◽  
Molecular Hydrogen ◽  
Spectroscopic Properties ◽  
Lewis Base ◽  
Basis Set ◽  
Orbital Method ◽  
Topological Parameters ◽  
Theoretical Approaches ◽  
Strength Of Interaction ◽  
Moller Plesset

The second-order Møller–Plesset perturbation theory calculations with the aug-cc-pVTZ basis set were performed for complexes of molecular hydrogen. These complexes are connected by various types of interactions, the hydrogen bonds and halogen bonds are most often represented in the sample of species analysed; most interactions can be classified as σ-hole and π-hole bonds. Different theoretical approaches were applied to describe these interactions: Quantum Theory of ‘Atoms in Molecules’, Natural Bond Orbital method, or the decomposition of the energy of interaction. The energetic, geometrical, and topological parameters are analysed and spectroscopic properties are discussed. The stretching frequency of the H-H bond of molecular hydrogen involved in intermolecular interactions is considered as a parameter expressing the strength of interaction.

Improved Enzymatic Depolymerization of Chitosan by Ionic Liquid Pretreatment and the Effect of Oligo-Chitosan on Intestinal Flora In Vitro

2011 ◽  
Vol 391-392 ◽  
pp. 1319-1323
Author(s):  
Cui Zheng ◽  
Lin Li ◽  
Hao Pang ◽  
Zhao Mei Wang ◽  
Na Li
Keyword(s):  
Ionic Liquid ◽  
Hydrogen Bonds ◽  
Molecular Hydrogen ◽  
Intestinal Flora ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrolysis Of ◽  
Positive Effect ◽  
Enzymatic Depolymerization

It still remains challenging for effective hydrolysis of chitosan into chitosan oligomers. In this work, a pretreatment was conducted on chitosan by an ionic liquid 1-butyl-3-methylimidazolium chloride ([C4mim]Cl), aiming at improving enzymatic depolymerization of chitosan. X-ray diffraction analysis indicated that the inter- and intra-molecular hydrogen bonds within chitosan molecules were broken by [C4mim]Cl and the crystalline was destroyed. The oligo-chitosan hydrolyzed from IL-pretreated chitosan, coded as COS-IL, showed a DP of 3~5, in contrast to DP 5~8 with oligo-chitosan obtained from untreated chitosan(coded as COS-UN). COS-IL was more effective than COS-UN in inhibiting intestinal spoilage bacterials growth and it has positive effect on the growth of intestinal probiotic bacterials.

scholarly journals Asymmetric Synthesis and Cytotoxicity Evaluation of Right-Half Models of Antitumor Renieramycin Marine Natural Products

Marine Drugs ◽  
2018 ◽  
Vol 17 (1) ◽  
pp. 3 ◽  
Author(s):  
Takehiro Matsubara ◽  
Masashi Yokoya ◽  
Natchanun Sirimangkalakitti ◽  
Naoki Saito
Keyword(s):  
Prostate Cancer ◽  
Colorectal Cancer ◽  
Natural Products ◽  
Asymmetric Synthesis ◽  
Active Compound ◽  
Hct116 Cell ◽  
Human Prostate Cancer ◽  
Model Compounds ◽  
Structure Activity ◽  
Sar Study

A general protocol for the asymmetric synthesis of 3-N-arylmethylated right-half model compounds of renieramycins was developed, which enabled structure–activity relationship (SAR) study of several 3-N-arylmethyl derivatives. The most active compound (6a) showed significant cytotoxic activity against human prostate cancer DU145 and colorectal cancer HCT116 cell lines (IC50 = 11.9, and 12.5 nM, respectively).

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