We describe a procedure of finding low-energy tautomers of a molecule. The procedure consists of (i) combinatorial generation of a library of tautomers, (ii) screening based on the results of geometry optimization of initial structures performed at the density functional level of theory, and (iii) final refinement of geometry for the top hits at the second-order Möller-Plesset level of theory f...

Background: Previous studies have suggested that BRCA1 dysregulation has been shown to have a role in triple-negative phenotypic manifestation. However, differences of BRCA1 expression, as a tumor suppressor gene, have rarely been investigated between luminal and triple-negative breast tumors. Therefore, the present study attempted to compare the BRCA1 expression in triple-negative with lu...

The functionalization of a Csp2-H bond an heteroarene with alkyne represent one the most attractive procedure for late-stage aromatic core, due to structural characteristics and synthetic versatility given by triple carbon-carbon bond. aim this review is cover significant results reported in literature regarding synthesis alkynyl-substituted five-membered heteroarenes selective direct alkynylat...

Without doubt the most satisfactory procedure for the quantitative determination of small amounts of sodium is that involving its precipitation as uranyl zinc sodium acetate, (UO&ZnNa(CH,C00)9.6Hz0, first introduced by Barber and Kolthoff (2). Applications of this method to biological material have been numerous, since the triple salt is readily estimated by a variet,y of gravimetric, calorimet...

eradication rate of helicobacter pylori using low dose furazolidone in triple & quadruple therapies versus metronidazol in triple therapy in du patients

This paper focuses on the robustness problem of full implication triple implication inference method for fuzzy reasoning. First of all, based on strong regular implication, the weighted logic metric for measuring distance between two fuzzy sets is proposed. Besides, under this metric, some robustness results of the triple implication method are obtained, which demonstrates that the triple impli...

The combination of capillary electrophoresis and mass spectrometry (CE-MS) is particularly well suited to forensic toxicology due to its high separation efficiency, selectivity and sensitivity, short analytical time, and low solvent and sample consumption. A CE-ESI-MS/MS method was developed for the quantitation of drugs of abuse in urine samples with the highly sensitive Agilent 6490 Triple Qu...

BACKGROUND The recommended surgical treatment for chronic neuropathic pain after herniorrhaphy has been a 2-stage operation including: (1) ilioinguinal and iliohypogastric neurectomies through an inguinal approach and (2) genital nerve neurectomy through a flank approach. HYPOTHESIS A 1-stage surgical procedure resecting all 3 nerves from an anterior approach avoids a second operation through...