Ruchi Kohli

eBook, PDF

Hydrogen bonding abilities of hydroxamic acid and its isosteres (eBook, PDF)

Beschreibung

This study comprises seven chapters. In chapter 1 an overview of chemistry, biological functions and literature studies of hydroxamic acids (HA) and its isosteres is presented. The principles of quantum mechanics underlying the computational methods employed to study HAs are given in brief. Chapter 2 describes intra- and intermolecular H-bonding interactions between formohydoxamic acid (FHA) and single water molecule and the dimerization among the isomeric forms. Chapter 3 involves the comparative study of H-bonding abilities of thioformohydoxamic acid (TFHA) and FHA. The deprotonation enthalpies of different sites of FHA and TFHA, probable pathways for interconversion among anions and their H-bonding with water are explored in chapter 4. The Effect of aqueous medium on deprotonation by using solvation methods is also discussed. Further insight into H-bonded aggregates and dimers of HAs is gained through the analysis of calculated stabilization energies and their comparison to similar H-bonded functionalities. The reasons behind the H-bond cooperativity in the aggregates and dimers are explored in chapter 5. Chapter 6 deals with the study of properties of formylphosphinous acid (FPA) isostere of FHA and a comparative study is carried out. In chapter 7, the aggregation of the most stable keto and enol conformer of FHA and TFHA with five amino acid side chain groups occurring at active sites of enzymes is studied.

Technische Details

• Geräte: PC
• ohne Kopierschutz
• Größe: 12.1MB

Barrierefreiheit

• Text-to-Speech

Autor

i passed MSc. Chemistry (gold medalist) in 2003 from GNDU, Amritsar, Punjab, India and obtained doctoral degree under guidance of Dr. Damanjit Kaur also from same university in 2012. The broad area of research was theoretical (physical ) chemistry. The topic of research was study of hydroxy amides particularly hydroxamic acids, exploring its various properties like tautomerism, proton affinities, deprotonation affiniities, solvent effects, substituent effects, hydrogen bonding studies with water and with amino acid side chain model molecules etc. I am in teaching profession for 7 years and presently serving as Asstt. Prof. at a reputed college. i have got nine research papers published in international journals with good impact factors.

Produktdetails

• Verlag: Anchor Academic Publishing
• Seitenzahl: 397
• Erscheinungstermin: 26. Januar 2016
• Englisch
• ISBN-13: 9783960675044
• Artikelnr.: 44489326