Capparis cartilaginea and C. deserti growing in Egypt were investigated for their glucosiolates and rutin content. From Capparis cartilaginea four isothiocynates were isolated and identified using GC and EI/MS techniques. These compounds were butyl isothiocyanate (1), 6-methylsulphonylhexyl isothiocyanate (2), 7-methylsulphonylheptyl isothiocyanate (3) and 5-benzylsulphonyl-4-pentenyl isothiocy...

The precipitation reaction of bovine serum albumin coupled with p-azophenylleucine with homologous antibody was inhibited by several structurally related haptens. The isobutyl group substituent on alpha-carbon atom of the leucine residue contributed more than -5.8 Kcal/mol to the free energy of binding. This value was consistent with the free energy change expected from the transfer of n-butane...

Ibuprofen's pain-relieving properties arise from its ability to physically block the active site of an enzyme, thus making its structural and conformational properties highly interesting. We here present a conformer-selective high-resolution broadband rotational spectroscopy study of gas-phase ibuprofen. The interpretation of the spectroscopic results is supported by quantum-chemical calculatio...

The present work elaborates the process design methodology for the evaluation of the distillation systems based on the economic, exergetic and environmental point of view, the greenhouse gas (GHG) emissions. The methodology proposes the Heat Integrated Pressure Swing Distillation Sequence (HiPSDS) is economic and reduces the GHG emissions than the conventional Extractive Distillation Sequence (...

Catalysts based on ruthenium diphosphine complexes convert methanol/ethanol mixtures to the advanced biofuel isobutanol, with extremely high selectivity (>99%) at good (>75%) conversion via a Guerbet-type mechanism.

We calculate the standard state entropy, heat capacity, enthalpy, and Gibbs free energy for 13 radicals important for the combustion chemistry of biofuels. These thermochemical quantities are calculated from recently proposed methods for calculating partition functions of complex molecules by taking into account their multiple conformational structures and torsional anharmonicity. The radicals ...

The pungent natural compound allyl isothiocyanate isolated from the seeds of Cruciferous (Brassica) plants such as mustard is reported to exhibit numerous beneficial health-promoting antimicrobial, antifungal, anticarcinogenic, cardioprotective, and neuroprotective properties. Because it is also reported to damage DNA and is toxic to aquatic organisms, the objective of the present study was to ...

The S-(5-aryl-1,3,4-oxadiazol-2-yl) O-alkyl carbonothioate (4-9) and the alkyl 2-((5-aryl-1,3,4-oxadiazol-2-yl)thio) acetate (10-15) were synthesized by interaction of 5-aryl-1,3,4-oxadiazole-2-thiones with esters chloroformic acid chloroacetic acid. yields target compounds (7-9) obtained isobutyl chloroformate 69-73%, (4-6) propyl - 74-79% 86-92%, respectively. structures confirmed IR, UV, 1H ...

Campylobacter jejuni is a widespread pathogen responsible for most of the food-borne gastrointestinal diseases in Europe. The use of natural antimicrobial molecules is a promising alternative to antibiotic treatments for pathogen control in the food industry. Isothiocyanates are natural antimicrobial compounds, which also display anticancer activity. Several studies described the chemoprotectiv...

This study provides a basis for a new and straightforward method for LC/MS/MS-based screening of N-terminal protein adducts. This procedure is denoted the "FIRE procedure" as fluorescein isothiocyanate (FITC) gave superior sensitivity by LC/MS/MS when measuring adducts (R) of electrophilic compounds with a modified Edman procedure. The principles of the FIRE-procedure are that adducts to N-term...