The enthalpy of hydrolysis of the 3’-bond of several cyclic 3’,5’-nucleotides and of the 2’-bond of several cyclic 2’,3’nucleotides has been measured calorimetrically. In each case, the enthalpy was indicative of a high energy bond, although values for different compounds varied from -7.7 to 14.1 kcal mole-‘. The enthalpy of hydrolysis of the cyclic 3’,5’-nucleotides, but not that of the cyclic...

Decabromodiphenylether (deca-BDE) and triclosan (2,4,4'-trichloro-2'hydroxydiphenylether) are used in consumer products as flame retardant and bactericide, respectively. Dermal contact is a major human exposure pathway. Deca-BDE and triclosan are known to be photolytically degraded to compounds like lower-BDEs and dioxins. My hypothesis is that photolysis of deca-BDE and triclosan generates fre...

The mechanisms of Ni-catalyzed C-H arylation, alkylation, and sulfenylation with N,N-bidentate directing groups are investigated using density functional theory (DFT) calculations. While the C-H cleavage occurs via the concerted metalation-deprotonation (CMD) mechanism in all types of reactions, the subsequent C-C and C-X bond formation steps may occur via either oxidative addition to form a Ni...

Hydroaminoalkylation (HAA) of alkenes is one the most appealing methods for construction α-alkylated amines, and impressive advances in intermolecular HAA non-electrophilic have been made secondary tertiary alkylamine substrates. We recently developed a general catalytic solution with unprotected primary alkylamines using combination organophotoredox catalysis hydrogen atom transfer (HAT) catal...

The anthropogenic substance 4,4'-biphenol and its analogues are estrogenic and cytotoxic. It has been previously found that synthesized ortho-dimers of phenolic compounds possess potent antioxidative and anti-inflammatory activity. To clarify the relationships between radical-scavenging and anti-inflammatory activities, the radical-scavenging activities of 4,4'-biphenol, 2,2'-biphenol and pheno...

A wide variety of molecular systems undergo fast structural changes under thermal equilibrium conditions. Such transformations are involved in a vast array of chemical problems. Experimentally measuring equilibrium dynamics is a challenging problem that is at the forefront of chemical research. This review describes ultrafast 2D IR vibrational echo chemical exchange experiments and applies them...

Aryl-cobalamins are a new class of organometallic structural mimics vitamin B12 designed as potential ‘antivitamins B12’. Here, the first cationic aryl-cobinamides described, which were synthesized using newly developed diaryl-iodonium method. The obtained pairs coordination isomers, stereo-structure was unambiguously assigned based on homo- and heteronuclear NMR spectra. availability isomers w...

A chemical behavior of Quercetin as antioxidant and metal chelator has become the subject of intense experimental research. In this paper, we apply a semi empirical approach to study the stability constant of Quercetin with metals like Cd, Pb and Bi. The comparative analysis of the theoretical formation constant of Quercetin-metal complexes with metals with experimental results shows that H-rem...