Search results for "bond"
showing 10 items of 3527 documents
Investigations of methyl lactate in the presence of reverse micelles by vibrational spectroscopy and circular dichroism
2012
Abstract The FT-IR and vibrational circular dichroism (VCD) spectra of ( S )- and -( R )-methyl lactate have been recorded for neat samples and at various concentrations in CCl 4 and DMSO solutions. These spectra are used to analyse the FT-IR and VCD spectra of methyl lactates in presence of sodium bis(2-ethylhexyl)sulfosuccinate (AOT) in CCl 4 , where the surfactant molecules are known to form reverse micelles. Some tendency of methyl lactate to interact with AOT micellar aggregates is observed, but not as well defined as previously observed for dimethyl tartrate in analogous circumstances. Besides, near infrared (NIR) absorption and VCD data have been obtained for most of the above system…
Photo-DHEA--a functional photoreactive dehydroepiandrosterone (DHEA) analog.
2011
Abstract The steroid hormone dehydroepiandrosterone (DHEA) has beneficial effects on vascular function, survival of neurons, and fatty acid metabolism. However, a specific receptor for DHEA has not been identified to date. Here, we describe the synthesis of a photoreactive DHEA derivative (Photo-DHEA). In Photo-DHEA, typical characteristics of DHEA are conserved: (i) a “planar” tetracyclic ring system with a Δ 5 double bond, (ii) a 3β-hydroxyl group, and (iii) a keto group at C17. In cell-based assays, Photo-DHEA showed the same properties as DHEA. We conclude that Photo-DHEA is suitable for radioiodination to yield a tool for the identification of the elusive DHEA receptor.
The Born–Oppenheimer equilibrium bond distance of GeO from millimetre- and submillimetre-wave spectra and quantum-chemical calculations
2014
The millimetre- and submillimetre-wave spectra of the five common isotopologues of (GeO)-O-16 in their electronic and vibrational ground state have been recorded in the spectral region 115-732GHz; for (GeO)-Ge-74-O-16, the rotational spectrum in the v = 1 state has been detected as well. Exploiting the high precision of the measurements, the Born-Oppenheimer breakdown parameter Delta(Ge)(01) could be determined from a Dunham analysis of the spectral data, whereas Delta(O)(01) was obtained from quantum-chemical calculations, because of the lack of high-precision measurements for the (GeO)-O-18 isotopologues. From the rotational equilibrium constant, the Born-Oppenheimer equilibrium distance …
Degradation of Amino-(3-methoxyphenyl)methanephosphonic Acid by Alternaria sp
2002
Alternaria sp. isolated from the surface of carrot ( Daucus carota ) seeds appeared to be able to degrade amino-(4-methoxyphenyl)-methanephosphonic acid using it as a sole source of carbon, nitrogen, and phosphorus for growth.
Intrinsic fluorescence in non-aromatic peptide structures is induced by collective vibrations, charge reorganisation and short hydrogen bonds, as sho…
2020
Abstract Disentangling the origin of the optical activity of non-aromatic proteins is challenging due to their size and thus their high computational requisites. Here we show, in a much smaller model system, that the single amino acid glutamine undergoes a chemical transformation leading to an unreported glutamine-like structure which has a similar broad absorption spectrum reported previously for non-aromatic proteins. We further show computationally that the optical activity of the glutamine-like structure is directly coupled to short-hydrogen bonds, but also displays charge and vibrational fluctuations, the latter of which are also present in less optically active structures such as in L…
Efficient stabilisation of a dihydrogenphosphate tetramer and a dihydrogenpyrophosphate dimer by a cyclic pseudopeptide containing 1,4-disubstituted …
2017
A cyclic pseudooctapeptide 2 is described containing 1,4-disubstituted 1,2,3-triazole moieties. This compound features eight converging hydrogen bond donors along the ring, namely four amide NH and four triazole CH groups, which enable 2 to engage in interactions with anions. While fully deprotonated sulfate anions exhibit only moderate affinity for 2, protonated anions such as dihydrogenpyrophosphate and dihydrogenphosphate anions are strongly bound. Complexation of the phosphate-derived anions involves sandwiching of a dihydrogenpyrophosphate dimer or a dihydrogenphosphate tetramer between two pseudopeptide rings. X-ray crystallography provided structural information, while 1H NMR spectro…
Fracture strenght and ribbond fibers: In vitro analysis of mod restorations
2023
Ribbond fibers are supposed to be a reinforcing material in restoration of compromised teeth. This study aims to compare MOD restorations with and without Ribbond Fiber in terms of fracture strength under axial loading; to identify the minimum depth of MO
Environmental evidence of Valencia lagoon coastal barrier stabilization from 8500 BP to Present. Climate and eustatic variations
2020
Abstract The Albufera de Valencia is one of the largest lagoon in the Spanish Mediterranean. Two continuous borehole cores reaching depths of 8 and 14 m in the northern part of the lagoon underwent sedimentological, micropaleontological and biological study. The organic content was also analysed, and 14C radiometric dating and amino acid racemization were performed. Study of the content of benthic foraminifera and n-alkanes and alkanoic acids in the lagoon sedimentary record identified several periods. The core records showed seven different environments: alluvial; freshwater marsh; brackish marsh; brackish lagoon; brackish lagoon with marine connection, backbarrier flat, and backshore. The…
A Germanium Isocyanide Complex Featuring (n → π*) Back-Bonding and Its Conversion to a Hydride/Cyanide Product via C-H Bond Activation under Mild Con…
2012
Reaction of the diarylgermylene Ge(ArMe6)2 [ArMe6 = C6H3-2,6-(C6H2-2,4,6-(CH3)3)2] with tert-butyl isocyanide gave the Lewis adduct species (ArMe6)2GeCNBut, in which the isocyanide ligand displays a decreased C–N stretching frequency consistent with an n → π* back-bonding interaction. Density functional theory confirmed that the HOMO is a Ge–C bonding combination between the lone pair of electrons on the germanium atom and the C–N π* orbital of the isocyanide ligand. The complex undergoes facile C–H bond activation to produce a new diarylgermanium hydride/cyanide species and isobutene via heterolytic cleavage of the N–But bond. peerReviewed
Glycosidic aroma compounds of some Portuguese grape cultivars
2006
In order to evaluate the potential aroma of some Portuguese grapes, several glycosidically bound aroma compounds of ten grape varieties grown in Evora, Alentejo, Portugal, were released, identified and quantified using gas chromatography–mass spectrophotometry. White varieties were Arinto, Perrum, Rabo-de-Ovelha, Roupeiro and Antao Vaz. Red varieties were Trincadeira, Aragonez, Tinta Caiada, Moreto and Castelao. Grapes of Roupeiro and Trincadeira from five other vines in the Alentejo region were also studied. For each variety pulp and skin were analyzed separately. The compounds produced by enzymatic hydrolysis of glycoside precursors extracted from pulps and skins of these grapes were simi…