Infrared photodissociation (IRPD) spectra of [H(2)O x (CO(2))(n)](+) and [CH(3)OH x (CO(2))(n)](+) (n=1-7) are measured in the 1100-3800 cm(-1) region. At the same time, the solvation characteristics in the clusters are investigated theoretically; the geometry optimization and the vibrational analysis are carried out for the [H(2)O x (CO(2))(n)](+) (n=1-4) and the [CH(3)OH x (CO(2))(n)](+) (n=1...

Chromatography is a tool to measure molecular interactions, and computational chemistry is a tool to explain molecular interactions. Therefore, reversed-phase liquid chromatography of acidic drugs using a pentyland an octyl-bonded silica gels was quantitatively analyzed in silico. A model pentyland an octyl-bonded silica gel and a methanol phases were constructed for docking with acidic drugs. ...

INTRODUCTION The aim of the study is to evaluate interfacial bond strength between silicone prosthetic elastomers and polymethylmethacrylate (PMMA). MATERIALS AND METHODS Silicone elastomers were attached to PMMA and a total 120 specimens were fabricated which were then subdivided into 12 sub-groups. Each sample was then subjected to laboratory test to determine the bond strength. The specime...

introduction a large number of orthodontists prefer to rebond the failed bonded brackets or use recycled brackets in some instances. the aim of this study was to compare the shear bond strength of rebonding with using recycled brackets on enamel surface. methods bonding of brackets on the surface of extracted first bicuspids was tested in five different groups to compare their shear bond streng...

In this work, the ionic liquid triethylamine-bonded sulfonic acid {[Et3N–SO3H]Cl}, N,N-diethyl-N-sulfoethanammonium chloride was used as a green acidic homogeneous catalyst to synthesis of 3,4-dihydropyrimidin-2(1H)-ones and 3,4-dihydropyrimidin-2(1H)-thiones as two categories of heterocycles, from aldehyde, dicarbonyl compound and urea or thiourea throughout the one-pot three components cycloc...

A new class of polypeptide helices in hybrid sequences containing alpha-, beta-, and gamma-residues is described. The molecular conformations in crystals determined for the synthetic peptides Boc-Leu-Phe-Val-Aib-betaPhe-Leu-Phe-Val-OMe 1 (betaPhe: (S)-beta3-homophenylalanine) and Boc-Aib-Gpn-Aib-Gpn-OMe 2(Gpn: 1-(aminomethyl)cyclohexaneacetic acid) reveal expanded helical turns in the hybrid se...

in this work, the ionic liquid triethylamine-bonded sulfonic acid {[et3n–so3h]cl}, n,n-diethyl-n-sulfoethanammonium chloride was used as a green acidic homogeneous catalyst to synthesis of 3,4-dihydropyrimidin-2(1h)-ones and 3,4-dihydropyrimidin-2(1h)-thiones as two categories of heterocycles, from aldehyde, dicarbonyl compound and urea or thiourea throughout the one-pot three components cycloc...

In the title complex, [Cu(I)Cu(II)(CN)3(C4H12N2)2], the Cu(I) and Cu(II) ions and a bridging cyanide group lie on a twofold rotation axis. The Cu(II) ion is in a slightly-distorted square-pyramidal coordination environment, with the N atoms of the two symmetry-related N-ethyl-ethylenedi-amine ligands occupying the basal positions and an N-bonded cyanide group in the apical position. The Cu(I) i...

Four new hybrid inorganic–organic salts of 1,4-diazabicyclo[2.2.2]octane N,N’-dioxide (odabco) with the formulae odabco·2HNO3 (1), odabco·HClO4 (2), odabco·H2SO4 (3) and odabco·2H2SO4 (4) were synthesized characterized by single-crystal x-ray diffraction (XRD), powder XRD infrared spectroscopy. Compound 1 is based on isolated (H2odabco)2+ fragments, representing 0D structure. 2 cationic 1D {Hod...