Implicit solvation is a mean force approach to model solvent forces acting on a solute molecule. It is frequently used in molecular simulations to reduce the computational cost of solvent treatment. In the first instance, the free energy of solvation and the associated solvent-solute forces can be approximated by a function of the solvent-accessible surface area (SASA) of the solute and differe...

The title compound, C(26)H(25)NO, was obtained via a one-pot synthesis from the reaction of 2-naphthol, 1-(p-tol-yl)ethyl-amine, p-toluene-sulfonic acid and benzaldehyde. There are three mol-ecules per asymmetric unit, all having similar conformations. There are intra-molecular O-H⋯N and C-H⋯O hydrogen bonds, with only van der Waals forces found between mol-ecules.

We examined several parameters of urine excretion during a two-year initiation-promotion experiment in male Fischer rats using four weeks of N-[4-(5-nitro-2-furyl)-2-thiazoly]formamide at 0.2% of the diet as the initiating agent and either 5% sodium saccharin or 2% L-tryptophan in the diet as promoting agents. Rats fed sodium saccharin increased their intake of water; this was accompanied by di...

Estrus cycle has been used as a base to study gustatory responses in rats under conditions of two-bottle choice test given for one hour daily, and the data pooled respectively for diestrus/metestrus (D/M) and proestrus/estrus (P/E). Glucose (13.5%), sodium saccharin (0.2%), sodium chloride (0.9%), citric acid (0.004%) and quinine sulphate (0.002%) was each paired with water and a particular sol...

In the title compound, [Pd(C(7)H(7)O(3)S)(2)(C(13)H(14)N(2))(2)](n), the metal ion, located on a twofold rotation axis, exhibits a slightly distorted octa-hedral coordination environment, with bond angles that deviate by at most 2.2° from an ideal geometry, completed by two O atoms from two deprotonated p-toluene-sulfonic acid ligands and four N atoms from four 1,3-di-4-pyridylpropane ligands. ...

Biodiesel was prepared from Citrullus colocynthis oil (CCO) via a two-step process. The first esterification step was explored in two ionic liquids (ILs) with 1,3-disulfonic acid imidazolium hydrogen sulfate (DSIMHSO4) and 3-methyl-1-sulfonic acid imidazolium hydrogen sulfate (MSIMHSO4). Both ILs appeared to be good candidates to replace hazardous acidic catalyst due to their exceptional proper...

We have evaluated the Technicon SMA 12/60 modification of a glucose oxidase/peroxidase-3-methyl2-benzothiazolinone hydrazone-N, N-dimethylaniline method, and find it acceptable. Added bilirubin, creatinine, dextrans, and uric acid did not interfere. We compared values for patients’ sera by this method to those by the glucose oxidase/peroxidase-2,2’-azinodiethylbenzothiazoline-6-sulfonic acid, n...

sulfonic acid functionalized sba-15 as a nanoporous acid catalyst was used in the synthesis of 2-aryl benzoxazoles 4 by the condensation of 2-aminophenol 1 and benzoyl chlorides 2 under microwave irradiation in solvent free reaction conditions. the advantages of this methodology are good product yields (60-98%), being environmentally benign, short reaction times and easy work up.