Interpretation of (13)C chemical shifts is essential for structure elucidation of organic molecules by NMR. In this article, we present an improved neural network approach and compare its performance to that of commonly used approaches. Specifically, our recently proposed neural network (J. Chem. Inf. Comput. Sci. 2000, 40, 1169-1176) is improved by introducing an extended hybrid numerical desc...

A series of 5-substituted phenyl-3-(thiophen-2-yl)-4, 5-dihydro-1, 2-oxazoles (2a-l) was synthesized by reacting appropriate chalcones of 2-acetyl thiophene with hydroxylamine hydrochloride in the presence of dry pyridine. The newly synthesized compounds were characterized by IR, HNMR, CNMR and mass spectral data. All the compounds were evaluated for their antidepressant and antianxiety activit...

A highly practical and efficient preparation of 3,4-Dihydropyrimidin-2(1H)-one derivatives was developed via an efficient and simple nanocatalyst and promoted multi-component reaction of ethyl acetoacetate, aromatic aldehyde, and urea in the presence of a catalytic amount of (CTA)3[SiW12]-Li+-MMT under solvent-free conditions. In comparison to the conve...

(Euphorbiaceae) (Vietnamese name: Don mat troi) is a small plant, about 1 m high and endemic to eastern Indochina. Growing wild and also being cultivated as a medicinal and ornamental plant, the plant is characterized by the features that its leaves are nearly opposite, deep green above, and purple red beneath, and the margins denticulate. Its leaves are usually used in a Vietnamese folk medici...

The first X-ray structure of an isatin (2,3-indolinedione, isaH) metal complex, bis(isatinato)memury(II) (C(16)H(8)N(2)O(4)Hg) (1), was determined. (1) was obtained from the reaction of isaH with mercury(II) acetate in methanol. Analogously, treatment of sodium saccharinate and mercury(II) acetate in methanol yielded Hg(saccharinato)(2) (*)0.5CH(3)OH (3). (1) crystallizes in the monoclinic syst...

Natural phytochemicals such as curcumin with 3-ABN and also their synthetic derivatives have received the attention of various chemist and biochemist owing to their various pharmacological actions. Development and discovery of new 3-ABN based hydrazine derivatives with antioxidant activities is one of the interesting areas in medicinal and natural product chemistry. In the present study, a new ...

belonging to the family Guttiferae. Some species of Cratoxylum have been used as traditional medicine. Previous chemical investigations of this genus have revealed the presence of xanthones, triterpenoids and flavonoids. In the course of our ongoing search for bioactive compounds from natural sources, hexane extract of the roots of C. cochinchinense exhibited cytotoxic activity against the NCI-...