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Chirality recognition between largely rigid molecules can be applied as a benchmark for the description of intermolecular forces by theoretical methods because one constituent is merely mirrored so that other deficits of the methods, such as neglect of anharmonicity, should mostly cancel. To test this approach, mixed OH···pi bridged dimers between the enantiomers of the bicyclic monoterpene alpha-pinene and the chiral secondary alcohols borneol, alpha-fenchol, isopinocampheol and 1-phenylethanol were formed in a supersonic jet and probed by linear FTIR spectroscopy. With borneol and alpha-fenchol, pronounced shifts in the hydroxyl stretching frequencies upon exchange of the handedness are observed. From three tested density functionals only B3LYP-D3(BJ) is able to predict these diastereomeric shifts in a satisfactory manner, while M06-2X and omegaB97X-D fall short.
This article was published in the following journal.
Name: Angewandte Chemie (International ed. in English)
The present study was designed to examine the role of alpha-pinene (AP) against skin photoaging in UVA-irradiated mice.
This study aims to evaluate the protective effect of alpha pinene (AP), an essential oil monoterpene, against ultraviolet-A (UVA; 320-400 nm) induced cellular damages in human skin epidermal keratin...
The axial chirality of carbodiimide was proposed in 1932, but the synthesis of carbodiimide with one-handed axial chirality has not been achieved because of the low barrier of racemization. This work ...
Spectroscopy of vibrational optical activity has established as a powerful tool to study molecular structures and interactions. In most cases, only fundamental molecular transitions are analyzed. In t...
Continuous observation of isoprene, α-pinene and β-pinene was carried out in a typical urban area of Beijing from March 2014 to February 2015, using an AirmoVOC online analyzer. Based on the analysi...
With this study the investigators investigate the effects of amino acids (tryptophan in two different concentrations, leucin) and sugar alcohols (xylitol, erythritol) on satiety mechanisms...
The purpose of the study is to test safety and efficacy of different doses of thymosin alpha 1 (1.6 mg, 3.2 mg, and 6.4 mg) in combination with dacarbazine and with or without Interferon a...
We plan to use this platform to map biochemical signatures in unmedicated schizophrenic patients prior to and 4 weeks post treatment with the antipsychotic drug aripiprazole and compare th...
By integrating approaches from the physical, biological, computational, statistical and clinical sciences, this study will test the hypothesis that early diagnosis of subclinical signature...
This study aims to determine the efficacy of training on facial recognition and multitasking. The researchers hypothesize that participants who have undergone facial recognition and multit...
Alkyl compounds containing a hydroxyl group. They are classified according to relation of the carbon atom: primary alcohols, R-CH2OH; secondary alcohols, R2-CHOH; tertiary alcohols, R3-COH. (From Grant & Hackh's Chemical Dictionary, 5th ed)
An approximately 80 amino acid RNA binding motif that consists of four anti-parallel surface beta sheets and two alpha helices arranged in a beta-alpha-beta-beta-alpha-beta configuration. One of the surface beta sheets interacts with two or three specific RNA bases. Interactions between additional sequences and the RNA, as well as within the RNA recognition motif increase the affinity and specificity of the protein-RNA interaction.
Usually high-molecular-weight, straight-chain primary alcohols, but can also range from as few as 4 carbons, derived from natural fats and oils, including lauryl, stearyl, oleyl, and linoleyl alcohols. They are used in pharmaceuticals, cosmetics, detergents, plastics, and lube oils and in textile manufacture. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)
Alcohols derived from the aryl radical (C6H5CH2-) and defined by C6H5CHOH. The concept includes derivatives with any substituents on the benzene ring.
Polyhydric alcohols having no more than one hydroxy group attached to each carbon atom. They are formed by the reduction of the carbonyl group of a sugar to a hydroxyl group.(From Dorland, 28th ed)