نتایج جستجو برای: bond chemical
تعداد نتایج: 440732 فیلتر نتایج به سال:
Robust methods to tune the unique electronic properties of graphene by chemical modification are in great demand due to the potential of the two dimensional material to impact a range of device applications. Here we show that carbon and nitrogen core-level resonant X-ray spectroscopy is a sensitive probe of chemical bonding and electronic structure of chemical dopants introduced in single-sheet...
With the aim of recognizing the steric effects on the silylenic R2C6H6Si structures, DFT calculationsare carried out on 8 structures of R2C6H6Si (where R is hydrogen (H), methyl (Me), isopropyl (i-pro),and tert-butyl (tert-Bu)). These species are at either triplet (t) or singlet (s) states. Singlet–tripletenergy separations ( Me (20.32) > t-Bu (15.92).all singlet states of R2C6H6Si, are more st...
علیرغم پیشرفتهای قابل توجه در زمینه ایجاد باند مناسب مواد ترمیمی همرنگ با نسج دندان ، بقای باند ایجاد شده از مسائل چالش برانگیز است. به نظر می رسد استفاده از عوامل ایجادکننده کراس لینک (مانند اسید تانیک و کلرهگزیدین) می تواند به حفظ و افزایش استحکام باند رزین- عاج کمک نماید. هدف از انجام این مطالعه،مقایسه اسیدتانیک و کلرهگزیدین بر استحکام باند برشی سیستم های ادهزیو etch&rinse و self etch در عا...
The C(alpha) chemical shift tensors of proteins contain information on the backbone conformation. We have determined the magnitude and orientation of the C(alpha) chemical shift tensors of two peptides with a-helical torsion angles: the Ala residue in G*AL (phi = -65.7 degrees, psi = -40 degrees), and the Val residue in GG*V (phi = -81.5 degrees, psi = -50.7 degrees). The magnitude of the tenso...
a theoretical density functional theory (dft) study was performed on a series of the neutral n-phenylthiourea substituents (p-oc2h5, p-ch3, m-ch3, h, p-cl, p-br, m-cl, and p-no2) as the sensor of acetate and fluoride anions. the hydrogen bond character was analyzed as a scale of the sensing activity. it was confirmed that hydrogen bond between the p-no2 derivatives of n-phenylthiourea and fluor...
The NMR spectra of azo dyes, 5-arylazobarbituric (5a-g), 5-arylazo-1,3-dimethylbarbituric(6a-g) and 5-arylazothiobarbituric acids (7a-g) were studied in DMSO-d6 in differentconcentrations. An intramolecular hydrogen bond was observed and indicating that thehydrazone forms is mostly predominant. The peak of the hydrazone proton was severelybroadened and its chemical shift appeared at down field ...
In chemoinformatics and bioinformatics, it is effective to automatically predict the properties of chemical compounds and proteins with computeraided methods, since this can substantially reduce the costs of research and development by screening out unlikely compounds and proteins from the candidates for ‘wet” experiment. Data-driven predictive modeling is one of the main research topics in che...
According to the 'Adhesion-Decalcification' concept, specific functional monomers within dental adhesives can ionically interact with hydroxyapatite (HAp). Some specific functional monomers form monomer-Ca salts due to chemical interactions. The chemical stability of the monomer-Ca salts was thought to contribute to bond durability. In the present study, we analyzed the chemical interaction bet...
The effect of mechanical force on the free-energy surface that governs a chemical reaction is largely unknown. The combination of protein engineering with single-molecule force-clamp spectroscopy allows us to study the influence of mechanical force on the rate at which a protein disulfide bond is reduced by nucleophiles in a bimolecular substitution reaction (S(N)2). We found that cleavage of a...
AIMS To evaluate the influence of mechanical surface treatment and chemical primer application on the composite shear bond strength to zirconia. METHODS Eighty blocks of Lava Frame Zirconia were randomly assigned to the experimental groups, according to the several possible combinations between mechanical (untreated/aluminum oxide sandblast) and chemical treatment (no primer/Monobond Plus/Exp...
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