The pretreatment or disruption of a cellulose I \(\beta \) crystallite by four deep eutectic solvents (DES): choline-chloride ethylene glycol, oxalic acid, urea, and levulinic was described from the atomistic interactions observed in molecular dynamics ab-initio (NCI-AIM) studies. studied considering plausible correlations between Kamlet-Taft (α β) solvent parameters, series thermodynamic, stru...

The formation constants of the species formed in the systems H+ + Mo(VI) + histidine and H+ +histidine have been determined at different aqueous solutions of methanol (0 - 45 % v/v) at 25 °C andconstant ionic strength (0.1 mol dm-3 sodium perchlorate), using a combination of spectrophotometricand potentiometric techniques. The composition of the complex species was determined by thecontinuous v...

Despite many computer based codes like CHEETAH, TIGER, RUBY, BKW, etc. the velocity of detonation (VOD) for explosive molecules and explosive mixtures (formulations) is estimated by several empirical formulations. This article discusses various approaches for the estimation of the velocity of detonation by empirical mathematical equations. The formulation proposed by Kamlet in 1968 is the oldes...

This paper deals with tolerance to timing faults in time-constrained systems. TAFT (Time Aware Fault-Tolerant) is a recently devised approach which applies tolerance to timing violations. According to TAFT, a task is structured in a pair, to guarantee that deadlines are met (although possibly offering a degraded service) without requiring the knowledge of tasks attributes difficult to estimate ...

We have investigated the kinetic and thermodynamic parameters of thermal reversion of the spirooxazine 1,3,3-trimethyl-5'-(2-benzothiazolyl)-spiroindoline-2,3'-naphtho(2,1-b)(1,4) oxazine (SO) in molecular solvents and ionic liquids containing the [NTf2]- anion. E(T)30 and Kamlet-Taft parameter studies were employed to interpret IL polarity and attempt to rationalise the kinetic-polarity relati...

Photoacidity is frequently found in aromatic alcohols where the equilibrium dissociation constant increases by some orders of magnitude upon electronic excitation. In this study we investigated the solvatochromism of a family of recently synthesized super-photoacids and their methylated counterparts based on pyrene. The chemical similarity of these molecules on the one hand and their differing ...

the formation constants of the species formed in the systems h+ + mo(vi) + histidine and h+ +histidine have been determined at different aqueous solutions of methanol (0 - 45 % v/v) at 25 °c andconstant ionic strength (0.1 mol dm-3 sodium perchlorate), using a combination of spectrophotometricand potentiometric techniques. the composition of the complex species was determined by thecontinuous v...

Recently it has been suggested that the C≡N stretching vibration of a tryptophan analog, 5-cyanotryptophan, could be used as an infrared probe of the local environment, especially the hydration status, of tryptophan residues in proteins. However, the factors that influence the frequency of this vibrational mode are not understood. To determine these factors, herein we carried out linear and non...