The reaction of tetrapyrazine Pt(II) with adenine under basic conditions yielded two products both disubstituted by adenine and bound in all cases to the N-9 nitrogen of adenine. Crystals amenable to X-crystallographic analysis were obtained for one product which was consequently identified as trans-[Pt(II)(N9-adeH)2(pz)2](NO3)(4).H2O. The other product, though, was identified as the cis isomer...

Conjugated linoleic acids (CLA) are octadecadienoic fatty acids that have profound effects on lipid metabolism. Our previous work showed that CLA (mixture of isomers) markedly reduced milk fat synthesis. In this study, our objective was to evaluate the effects of specific CLA isomers. Multiparous Holstein cows were used in a 3x3 Latin square design, and treatments were 4-day abomasal infusions ...

For the CH3CHOO Criegee intermediates (ethanal-oxide) and analogous anions, we obtain heats of formations and electron affinities at CCSDT(Q)/CBS level of theory by means of the high-level W3-F12 thermochemical protocol. The electron affinities amount to 0.20 eV and 0.35 eV for the cis and trans isomer, respectively. Neutral cis and trans isomers are separated by 14.1 kJmol−1, the anions are al...

ß -carotene is a human nutrient found in plants or animals. It is also can be synthesized chemically. It is lipid-soluble, and is yellow, orange or red in color. ß-Carotene can be cleaved into vitamin A in vivo. The most abundant form of ß-carotene in human serum is trans isomer; cis isomers such as 9-cis ß-carotene, 13-cis ß-carotene, and 15-cis ß-carotene are only present in trace amounts. ß-...

When the fruitfly, Drosophila melanogaster, was reared on media deficient in carotenoids and retinoids, the level of 3-hydroxyretinal (the chromophore of fly rhodopsin) in the retina decreased to less than 1% compared with normal flies. The level of 3-hydroxyretinal increased markedly in flies that were given a diet supplemented with retinoids or carotenoids. The retinas of flies fed on all-tra...

In this paper, we identify the most efficient decay and isomerization route of the S1, T1, and S0 states of azobenzene. By use of quantum chemical methods, we have searched for the transition states (TS) on the S1 potential energy surface and for the S0/S1 conical intersections (CIs) that are closer to the minimum energy path on the S1. We found only one TS, at 60° of CNNC torsion from the E is...

Conjugated linoleic acid (CLA) consists of a group of naturally occurring and synthetic positional and geometric (cis-trans) stereoisomers of the polyunsaturated fatty acid linoleic acid. The cis-9,trans-11 (c9,t11) CLA isomer (the most prevalent form found in ruminant-derived foods) and the trans-10,cis-12 (t10,c12) CLA isomer (present in commercial preparations) are the two most widely studie...

Structural features and dynamical behaviour of the copper(ii) bis-complexes with glycine, d-alanine, d-valine, l-serine, l-aspartic acid, l-glutamic acid, l-lysine, l-proline, and sarcosine were studied by combined EPR and NMR relaxation methods. The cis and trans isomers were unambiguously assigned and characterized by EPR data. It was found that addition of a salt background has an influence ...

Conformational isomers of hydroquinone and their 1:1 clusters with water have been spatially separated using a Stark deflector in a supersonic jet. trans-Hydroquinone (HyQ) conformer with zero dipole moment is little influenced by inhomogeneous electric fields, whereas cis conformer with nonzero dipole moment (2.38 D) is significantly deflected from the molecular beam axis into the direction al...

An azobenzene-capped DNA hairpin coupled to an AFM is presented as an optically triggered single-molecule motor. The photoinduced trans to cis isomerization of azobenzene affects both the overall length of the molecule and the ability of the DNA bases to hybridize. Using a combination of molecular dynamics simulations and free energy calculations the unfolding of both isomers along the O5'-O3' ...