Search results for " Structure-Property"
showing 3 items of 3 documents
Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding
2019
A systematic structure-property relationship study on hydrogen-bonded liquid crystals was performed, revealing the impact of resonance-assisted hydrogen bonds (RAHBs) on the self-assembling behavior of the supramolecular architecture. The creation of a six-membered intramolecular hydrogen-bonded ring acts as a counterpart to the self-organization between hydrogen bond donators and acceptors and determines thus the suprastructure. Variation of the hydrogen-bonding pattern allowed us to significantly improve the temperature range of the reported liquid crystalline assemblies.
Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies
2019
The skin is the main barrier between the internal body environment and the external one. The characteristics of this barrier and its properties are able to modify and affect drug delivery and chemical toxicity parameters. Therefore, it is not surprising that permeability of many different compounds has been measured through several in vitro and in vivo techniques. Moreover, many different in silico approaches have been used to identify the correlation between the structure of the permeants and their permeability, to reproduce the skin behavior, and to predict the ability of specific chemicals to permeate this barrier. A significant number of issues, like interlaboratory variability, experim…
Enantioseparations with polysaccharide-based chiral stationary phases in HPLC. Application to the enantioselective evaluation of the biodegradability…
2023
The chiral nature of living systems has obvious implications for the biologically active compounds that interact with them. At the molecular level, chirality represents an intrinsic property of the essential building blocks of life, such as amino acids and sugars, and therefore, of peptides, proteins, enzymes, carbohydrates, nucleosides and a number of alkaloids and hormones. As a consequence, processes mediated by biological systems are stereochemistry-sensitive, and a pair of enantiomers can have different effects on living organisms. The scientific community has been studying the implications of chirality for life for more than a century. Today, it is still a topic of active research and…