scholarly journals Recognition and Binding of Aliphatic Dicarboxylic Acids C4 – C10 by Diiminocalix[4]arene

2019 ◽  
Vol 7 (2) ◽  
pp. 61-67
Author(s):  
Olga Kalchenko ◽  
Andrew Solovyov ◽  
Vitaly Kalchenko
Keyword(s):  
Molecular Modeling ◽  
Dicarboxylic Acids ◽  
Supramolecular Complexes ◽  
Cooh Group ◽  
Organic Solution ◽  
Modeling Methods ◽  
Rp Hplc ◽  
Aliphatic Dicarboxylic Acids ◽  
The Stability ◽  
Upper Rim

Host-Guest complexation of 5,17-bis-(N-tolyliminomethyl)-25,27-dipropoxycalix[4]arenewithaliphatic dicarboxylicacidsC4 – C10 hasbeenstudiedin water-organic solution by the RP HPLC and molecular modeling methods. The stability constants (log KA =2.56– 3.05) of the supramolecular complexes are depended on structure, pKa and log Pvalues of the acids. The complexation is determined by the hydrogen bonds of the COOH group of the dicarboxylic acids with nitrogen atoms at the upper rim or oxygen atoms at the lower rim of the calixarene.

scholarly journals Study of Calixarene Complexation with Biologically Active

2017 ◽  
Vol 5 (2) ◽  
pp. 49-55
Author(s):  
Olga Kalchenko ◽  
Sergiy Cherenok ◽  
Sergiy Suikov ◽  
Vitaly Kalchenko Vitaly Kalchenko
Keyword(s):  
Carboxylic Acids ◽  
Biologically Active ◽  
Log P ◽  
Cooh Group ◽  
Organic Solution ◽  
P Values ◽  
Rp Hplc ◽  
The Stability ◽  
Upper Rim ◽  
Modelling Methods

Host-Guest complexation of octakis(diphenoxyphosphoryloxy)tetramethylcalix[4]resorcinarene CRA and 5,17-bis-(N-tolyliminomethyl)-25,27-dipropoxycalix[4]arene CA with bio relevant aromatic, pyridine and diterpenoid carboxylic acids in water-organic solution had been studied by the RP HPLC and molecular modelling methods. The stability constants KA (387-1914 М-1) of the supramolecular complexes had been determined. It was shown the Host-Guest interactions are depended on structure of the Host molecules and log P values of the Guests. The complexation is determined by the hydrogen bonds of the COOH group of the carboxylic acids with P=O oxygen atom of diphenoxyphosphoryl group of the calixresorcinarene CRA, and oxygen or nitrogen atoms located on the lower or the upper rim of the calixarene CA.

scholarly journals The study of complexation of 5,17-bis-(n-tolyliminomethyl)- 25,27-dipropoxycalix[4]arene with benzoic acids by rp hplc and molecular modeling methods

2013 ◽  
Vol 11 (3(43)) ◽  
pp. 3-8
Author(s):  
O. I. Kalchenko ◽  
S. O. Cherenok ◽  
V. I. Kalchenko ◽  
A. V. Solovyov ◽  
V. V. Gorbatchuk
Keyword(s):  
Molecular Modeling ◽  
Benzoic Acids ◽  
Modeling Methods ◽  
Rp Hplc

Molecular modeling methods for supramolecular complexes: A hierarchical approach

2010 ◽  
Vol 5 (5-6) ◽  
pp. 290-298 ◽  
Author(s):  
F. V. Grigor’ev ◽  
A. N. Romanov ◽  
D. N. Laikov ◽  
S. N. Zhabin ◽  
A. Yu. Golovacheva ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Supramolecular Complexes ◽  
Hierarchical Approach ◽  
Modeling Methods

Investigation of Isoindolo[2,1-a]quinoxaline-6-imines as Topoisomerase I Inhibitors with Molecular Modeling Methods

2017 ◽  
Vol 13 (3) ◽  
Author(s):  
Balazs Balogh ◽  
Anna Carbone ◽  
Virginia Spanò ◽  
Alessandra Montalbano ◽  
Paola Barraja ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Topoisomerase I ◽  
Modeling Methods ◽  
Topoisomerase I Inhibitors

A review of lignin hydrogen peroxide oxidation chemistry with emphasis on aromatic aldehydes and acids

Holzforschung ◽  
2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Ajinkya More ◽  
Thomas Elder ◽  
Zhihua Jiang
Keyword(s):  
Hydrogen Peroxide ◽  
Oxidative Degradation ◽  
Reaction Medium ◽  
Dicarboxylic Acids ◽  
Aromatic Aldehydes ◽  
Product Distribution ◽  
Reaction Conditions ◽  
Alkaline Conditions ◽  
The Stability ◽  
Oxidation Chemistry

Abstract This review discusses the main factors that govern the oxidation processes of lignins into aromatic aldehydes and acids using hydrogen peroxide. Aromatic aldehydes and acids are produced in the oxidative degradation of lignin whereas mono and dicarboxylic acids are the main products. The stability of hydrogen peroxide under the reaction conditions is an important factor that needs to be addressed for selectively improving the yield of aromatic aldehydes. Hydrogen peroxide in the presence of heavy metal ions readily decomposes, leading to minor degradation of lignin. This degradation results in quinones which are highly reactive towards peroxide. Under these reaction conditions, the pH of the reaction medium defines the reaction mechanism and the product distribution. Under acidic conditions, hydrogen peroxide reacts electrophilically with electron rich aromatic and olefinic structures at comparatively higher temperatures. In contrast, under alkaline conditions it reacts nucleophilically with electron deficient carbonyl and conjugated carbonyl structures in lignin. The reaction pattern in the oxidation of lignin usually involves cleavage of the aromatic ring, the aliphatic side chain or other linkages which will be discussed in this review.

Interaction of donepezil with tau protein: Insights from surface plasmon resonance and molecular modeling methods

2021 ◽  
pp. 115924
Author(s):  
Sepideh Najar-Ahmadi ◽  
Hossein Haghaei ◽  
Safar Farajnia ◽  
Reza Yekta ◽  
Jafar Ezzati Nazhad Dolatabadi ◽  
...  
Keyword(s):  
Surface Plasmon Resonance ◽  
Molecular Modeling ◽  
Surface Plasmon ◽  
Tau Protein ◽  
Plasmon Resonance ◽  
Modeling Methods

Diversity in Itraconazole Cocrystals with Aliphatic Dicarboxylic Acids of Varying Chain Length

2013 ◽  
Vol 13 (11) ◽  
pp. 4877-4884 ◽  
Author(s):  
Anna Shevchenko ◽  
Inna Miroshnyk ◽  
Lars-Olof Pietilä ◽  
Jorma Haarala ◽  
Jukka Salmia ◽  
...  
Keyword(s):  
Chain Length ◽  
Dicarboxylic Acids ◽  
Aliphatic Dicarboxylic Acids
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