Search results for "Organic molecules"
showing 10 items of 46 documents
Advances in photochemical and electrochemical incorporation of sulfur dioxide for the synthesis of value-added compounds.
2021
Organic photochemistry and electrochemistry currently receive tremendous attention in organic synthesis as both techniques enable the reagent-less activation of organic molecules without using expensive and hazardous redox reagents. The incorporation of SO2 into organic molecules is a relatively modern research topic, which likewise gains immense popularity since the discovery of the SO2 surrogate DABSO. Sulfur-containing organic molecules are omnipresent in pharmaceuticals and agrochemicals. This review covers the recent progress in electrochemical and photochemical methodologies for the incorporation and uses of SO2 in the synthesis of value-added compounds. Additionally, different work t…
Crystallographic snapshots of host–guest interactions in drugs@metal–organic frameworks: towards mimicking molecular recognition processes
2018
We report a novel metal–organic framework (MOF) featuring functional pores decorated with hydroxyl groups derived from the natural amino acid L-serine, which is able to establish specific interactions of different natures, strengths and directionalities with organic molecules of technological interest, i.e. ascorbic acid, pyridoxine, bupropion and 17-β-estradiol, based on their different sizes and chemical natures. The ability of 1 to distinctly organize guest molecules within its channels, through the concomitant effect of different directing supramolecular host–guest interactions, enables gaining unique insights, by means of single-crystal X-ray crystallography, into the host–guest intera…
Advanced Glycation End Products (AGEs): Biochemistry, Signaling, Analytical Methods, and Epigenetic Effects
2020
The advanced glycation end products (AGEs) are organic molecules formed in any living organisms with a great variety of structural and functional properties. They are considered organic markers of the glycation process. Due to their great heterogeneity, there is no specific test for their operational measurement. In this review, we have updated the most common chromatographic, colorimetric, spectroscopic, mass spectrometric, and serological methods, typically used for the determination of AGEs in biological samples. We have described their signaling and signal transduction mechanisms and cell epigenetic effects. Although mass spectrometric analysis is not widespread in the detection of AGEs…
Recent advances in the synthesis of functionalised monofluorinated compounds.
2018
Over the past few years, we have tackled the synthesis of interesting monofluorinated organic molecules, such as: dihydronaphthalene derivatives, β-fluoro sulfones and related carbonyl compounds, fluorohydrins and allylic alcohols. Overall, a wide range of modern synthetic techniques are covered in this feature article including transition-metal, photo- and organocatalysis, nucleophilic and electrophilic fluorinations, chiral auxiliaries and enantioselective catalysis.
From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations
2011
It is shown that a linear correlation exists between nuclear shielding constants for nine small inorganic and organic molecules (N2, CO, CO2, NH3, CH4, C2H2, C2H4, C2H6 and C6H6) calculated with 47 methods (42 DFT methods, RHF, MP2, SOPPA, SOPPA(CCSD), CCSD(T)) and the aug-cc-pVTZ-J basis set and corresponding complete basis set results, estimated from calculations with the family of polarization-consistent pcS-n basis sets. This implies that the remaining basis set error of the aug-cc-pVTZ-J basis set is very similar in DFT and CCSD(T) calculations. As the aug-cc-pVTZ-J basis set is significantly smaller, CCSD(T)/aug-cc-pVTZ-J calculations allow in combination with affordable DFT/pcS-n com…
Stanislao Cannizzaro and the Development of Chemistry in Palermo from 1862 to 1871
2009
Stanislao Cannizzaro worked at Palermo University for about ten years. There he managed to establish a modern and well-equipped chemical laboratory. His international fame attracted co-workers even from abroad: Naquet, Lieben, and Körner came to Palermo to work with him. This greatly improved the quality of teaching and of research in Palermo, which became a worldwide acknowledged center of chemical culture. In Palermo, atomic-molecular theory was extensively taught and research was carried out on chemical atomicity (valence) and spatial structures of both aliphatic and aromatic organic molecules: Körner found the relative positions of substituent groups on the benzene ring, Paternò proved …
Detailed Analysis of Packing Efficiency Allows Rationalization of Solvate Formation Propensity for Selected Structurally Similar Organic Molecules
2018
In structural study of seven bile acids it was identified that their propensity for solvate formation is directly related to the packing efficiency of the unsolvated phases: low packing index, voids, and unsatisfied hydrogen bonding lead to extensive solvate formation, whereas efficient packing leads to the opposite. This was determined to be caused by the presence of OH group attached to carbon C12. Solvate formation was determined to provide a noticeable improvement in the packing efficiency for compounds having ansolvates with inefficient packing.
The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0 as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecu…
2012
The synthesis of a new bridged [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0 derivative (2), arising from the acid-catalyzed reaction of cobalt bis(1,2-dicarbollide)(1−) ion with formaldehyde, is reported. The proposed reaction path is supported by the isolation of side products including two zwitterionic compounds, the known bridged [8,8′-μ-(CH3O)-(1,2-C2B9H10)2-3,3′-Co]0 derivative (3), the new zwitterion [(8-(CH3)2O-1,2-C2B9H10)-(1′,2′-C2B9H11)-3,3′-Co]0 (4), and two anionic compounds—the known [(8,8′-Cl2-1,2-C2B9H10)2-3,3′-Co]− and the newly characterized dimethoxy derivative [(8,8′-(CH3O)2-1,2-C2B9H10)2-3,3′-Co]− of the cobalt bis(dicarbollide) ion. Compound 2 serves as a versatile buildi…
Quantitative Characterization of the Local Electrophilicity of Organic Molecules. Understanding the Regioselectivity on Diels−Alder Reactions
2002
Regional electrophilicity at the active sites of the reagents involved in polar Diels−Alder processes may be described on a quantitative basis using an extension of the global electrophilicity inde...
Synthèses optimisées et caractérisations avancées de nanotubes de titanate et de leurs fonctionnalisations : vers l'élaboration de nanovecteurs de mo…
2017
The aim of this PhD thesis is to develop new nanohybrids based on titanate nanotubes (TiONts) in order to use them as nanocarrier of a therapeutic molecule: a stilbene phenol, 4'-hydroxy-4-(3-aminopropoxy)-trans-stilbene (HAPtS), which is a transresveratrol derivative.TiONts are synthesized by a hydrothermal treatment from a precursor of rutile titanium dioxide. Two methods of hydrothermal synthesis have been studied (the static and dynamic ones): the second approach uses an original hydrothermal device which provides a vigorous mechanical stirring during the hydrothermal process with controllable stirring time par hour. A parametric study was carried out to evaluate the effect of reaction …