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In the title compounds, (2E,2'E)-3,3'-(1,4-phenylene)bis[1-(2-methoxyphenyl)-prop-2-en-1-one], C26H22O4 (I), (2E,2'E)-3,3'-(1,4-phenylene)bis[1-(3-methoxyphenyl) prop-2-en-1-one], C26H22O4 (II) and (2E,2'E)-3,30-(1,4-phenylene)bis[1-(3,4-dimethoxyphenyl)prop-2-en-1-one], C28H26O6 (III), the asymmetric unit consists of a half-molecule, completed by crystallographic inversion symmetry. The dihedral angles between the central and terminal benzene rings are 56.98 (8), 7.74 (7) and 7.73 (7)° for (I), (II) and (III), respectively. In the crystal of (I), molecules are linked by pairs of C--H···π interactions into chains running parallel to [101]. The packing for (II) and (III), features inversion dimers linked by pairs of C--H···O hydrogen bonds, forming R2²(16) and R2²(14) ring motifs, respectively, as parts of [201] and [101] chains, respectively. [ABSTRACT FROM AUTHOR]

A new organic nonlinear optical material 3-(2-chloro-5-(trifluoromethyl)phenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one(3-CPDP) has been crystallized from CCl4. 3-CPDP crystallises in triclinic system withP1 space group. The crystal is optically transparent throughout the visible region with an absorption cut-off wavelength at 442 nm and possesses a stable phase before the melting point temperature (154 °C). The 3-CPDP molecule exhibits a minimum nonlinear transmittance at focus for 532 nm laser wavelength. The nonlinear absorption coefficient (β), excited state absorption cross section (σex) and ground state absorption cross section (σg) are estimated and found to be 1.78 cm/GW, 8.59 × 10−18and 1.99 × 10−21 cm2, respectively. [ABSTRACT FROM PUBLISHER]

Maida flour is highly refined wheat flour. after the wheat is ground in a roller mill (Chakki), the same is filtered through a fine mesh (600 meshes per square inch) to obtain maida. Maida is a lignocellulosic source that can be converted to reducing sugars. The hydrolysis of maida is carried out using (2M) Sulphuric acid and (2M) hydrochloric acid in a hotplate, equipped with a temperature controller, and continuously shaken during the operation. (i) By varying the concentration of 2M acids ranging as below, where time 60 min and temperature 75°C are kept as constant. (ii) By varying the time 30,60,90 min respectively keeping 75°C and concentration at the ratio of 2M acids (15 mL/100 mL) distilled water as constant. It was observed that the degradation has significant effects with respect to the amount of polysaccharide present and in turn the sugar yield is around 40-50% each which is estimated by Bertrand's, Benedict's and Fehling methods respectively. The quantitative values are tabulated and their values are plotted. Beyond the mentioned conditions charring occurs. [ABSTRACT FROM AUTHOR]

Imidazo[1,2-a]pyridine-based compounds are clinically important to the treatments of heart and circulatory failures, while many are under development for pharmaceutical uses. In this study, a series of imidazo[1,2-a]pyridine-based derivatives 2(a-o) were synthesized by reacting a-haloketones with 2-aminopyridines in a basic media at ambient temperature. Single crystal X-ray diffraction studies suggest that with low degree-of-freedom, the introduction of bulky adamantyl or electron-rich biphenyl moiety into the imidazopyridine derivatives will not affect its structural occupancy. Imidazo[1,2-a]pyridine-based derivatives with biphenyl side chain are potential AChE inhibitors. Compound 2h which bears a biphenyl side chain and methyl substituent at the position R 4 of the imidazo[1,2-a]pyridine ring showed the strongest AChE inhibition with an IC 50 value of 79 µM. However, imidazo[1,2-a]pyridine derivatives with phenyl side chain exhibit better BChE inhibition effect among the series. Compound 2j with 3,4-dichlorophenyl side chain and unsubstituted imidazo[1,2-a]pyridine ring appears to be the strongest BChE inhibitor with an IC 50 value of 65 µM and good selectivity. The inhibitory effects of active compounds were further confirmed by computational molecular docking studies. The results unveiled that peripheral anionic sites of AChE and acyl pocket of BChE were the predominated binding sites for the subjected inhibitors.

Biphenyl-based compounds are clinically important for the treatments of hypertension and inflammatory, while many more are under development for pharmaceutical uses. In the present study, a series of 2-([1,1'-biphenyl]-4-yl)-2-oxoethyl benzoates, 2(a-q), and 2-([1,1'-biphenyl]-4-yl)-2-oxoethyl pyridinecarboxylate, 2(r-s) were synthesized by reacting 1-([1,1'-biphenyl]-4-yl)-2-bromoethan-1-one with various carboxylic acids using potassium carbonate in dimethylformamide at ambient temperature. Single-crystal X-ray diffraction studies revealed a more closely packed crystal structure can be produced by introduction of biphenyl moiety. Five of the compounds among the reported series exhibited significant anti-tyrosinase activities, in which 2p, 2r and 2s displayed good inhibitions which are comparable to standard inhibitor kojic acid at concentrations of 100 and 250 μg/mL. The inhibitory effects of these active compounds were further confirmed by computational molecular docking studies and the results revealed the primary binding site is active-site entrance instead of inner copper binding site which acted as the secondary binding site.

In this study, computational calculations of a new quinoline derivative: 8-((4-(methylthio)-2,5-diphenylfuran-3-yl)methoxy)quinoline is carried out using ab initio methods. The geometry optimization as well as fundamental frequencies of the most stable configuration of the title compound is reported. A detailed study of Infrared spectrum, chemical shifts and electronic spectrum of the title compound is also presented. The Gauge-Invariant Atomic Orbital approach is used to calculate the proton and carbon chemical shifts of the title compound. The natural bond orbital analysis of the title compound is also reported in order to understand the stability of the molecule which arises from hyper conjugative interactions and charge delocalization. The theoretical electronic absorption spectrum is also reported using the time dependent density functional approach. The molecular structure along with vibrational frequencies as simulated for binding of iron with the title compound is also reported using ab initio methods., (Copyright © 2015 Elsevier B.V. All rights reserved.)