Synthesis and Biological Evaluation of Novel Chalcone and Pyrazoline Derivatives Bearing Substituted Vanillin Nucleus

A series of novel chalcone 4a , 4b , 4c , 4d , 4e , 4f , 4g , 4h , 4i , 4j , 4k , 4l and pyrazoline 5a , 5b , 5c , 5d , 5e , 5f , 5g , 5h , 5i , 5j , 5k , 5l derivatives have been synthesized as potential antibacterial agents. The pyrazoline derivatives 5a , 5b , 5c , 5d , 5e , 5f , 5g , 5h , 5i , 5j , 5k , 5l have been synthesized by reaction of various chalcones 4a , 4b , 4c , 4d , 4e , 4f , 4g , 4h , 4i , 4j , 4k , 4l with hydrazine hydrate in the presence of acetic acid. The chalcones 4a , 4b , 4c , 4d , 4e , 4f , 4g , 4h , 4i , 4j , 4k , 4l were prepared by the condensation of key aldehyde 3 with appropriate acetophenone using basic condition and ethanol as a solvent. The key aldehyde 3 has been synthesized by reacting 2‐(chloromethyl)‐3‐methyl‐4‐(2,2,2‐trifluoroethoxy)pyridine hydrochloride and vanillin. The structures of the new compounds were established on the basis of ¹H‐NMR, mass, IR, and elemental analysis data. All the newly synthesized compounds were screened for their antibacterial activity against Escherichia coli, Salmonella typhi (Gram‐negative bacteria), Staphylococcus aureus, Micrococcus luteus (Gram‐positive bacteria) and antifungal activity against Candida albicans (fungi).     

Pressure-volume calculation in bcc metals using Born stability criteria

A simple analytical two-body potential φ(r) = −Ar ⁻ⁿ + B exp(−pr ^m) is considered for P-V calculations in bcc metals using Born stability criteria. It is shown that the stability of bcc metals can be expressed uniquely as a function of a parameter q (discussed in the text). The P-V calculations are done in ten bcc metals. The calculations are compared with the experimental data of shock-wave measurements and also with other potential available. It is found out that the present potential is better than the other two-body potentials in case of bcc metals. Further, the calculations done for TOEC and the first pressure derivative of SOEC are found in good agreement with the reported results.     

A Concise Total Synthesis of (+)-Waihoensene Guided by Quaternary Center Analysis

The four contiguous all-carbon quaternary centers of waihoensene, coupled with the absence of any traditional reactive functional groups other than a single alkene, render it a particularly challenging synthetic target among angular triquinane natural products. Here, we show that its polycyclic frame can be assembled concisely by using a strategically chosen quaternary center to guide the formation of the other three through judiciously selected C−C bond formation reactions. Those events, which included a unique Conia-ene cyclization and a challenging Pauson–Khand reaction, afforded a 17-step synthesis of the molecule in enantioenriched form.     

Fabrication and Cytocompatibility Evaluation of Psyllium Husk (Isabgol)/Gelatin Composite Scaffolds

Psyllium husk or isabgol contains xylan backbone linked with arabinose, rhamnose, and galacturonic acid units (arabinoxylans). In this study, we demonstrate the fabrication and characterization of a macroporous three-dimensional (3D) composite scaffold by mixing psyllium husk powder (PH) and gelatin (G) in different ratios, viz.100 PH, 75/25 PH/G, and 50/50 PH/G (w/w), using an EDC-NHS coupling reaction followed by freeze-drying method. The reaction was performed in aqueous as well as in alcoholic media to determine the most appropriate solvent system for this purpose. The mechanical strength of the scaffold system was improved from 151 to 438 kPa. The fabricated scaffolds exhibited enhanced structural stability, remarkable swelling capacity, and escalated cell growth and proliferation. ATR-FTIR analysis showed the presence of amide and ester bonds indicating covalent crosslinking. SEM micrographs revealed the porous nature of the scaffolds with pores ranging from 30 to 150 μm, and further pore size distribution curve indicated that 75/25 PH/G (w/w%) EDC-NHS-alcohol scaffold exhibited the best fit to the Gaussian distribution. Swelling capacity of the 100 PH EDC-NHS-alcohol scaffolds was found to be nearly 40% from its original weight in 48 h. MTT assay using fibroblast cells revealed ~ 80% cellular proliferation by 6th day within the fabricated scaffolds in comparison to control.

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Structural,optical and magnetic study of (1−x)ZnO–xMgO composites prepared through solid state reaction method

We report the study of structural, optical and magnetic properties of (1−x)ZnO–xMgO (x=0.35, 0.40, 0.45 and 0.50) composites prepared by solid state reaction method. X-ray diffraction pattern confirms the presence of both the phases associated with ZnO (hexagonal) and MgO (cubic), which is revealed through the existence of (1 1 1) and (2 0 0) peaks in addition to ZnO peaks. The lattice parameter c as calculated using X-ray analysis undergoes shrinkage with increasing content of MgO. Microstructural analysis suggests that there is no variation in spherical elongated shape of grains with increasing concentration of MgO, where the average grain size is found to be ∼600 nm. The band gap as calculated from optical absorption spectra obtained by diffuse reflectance method recorded at room temperature is tuned from 3.16 to 3.55 eV. Photoluminescence spectra consist of near band edge UV emission (389 nm) and defect level emission (503 nm). The increase of MgO concentration leads to blue shift of UV emission peaks. The magnetic measurements conducted using SQUID at 5 K temperature reveals ferromagnetism along with paramagnetic and superparamagnetic components. Saturation magnetisation (M_s) is observed to be enhanced with MgO doping.     

Enatioselective quantitative separation of d- and l-thyroxine by molecularly imprinted micro-solid phase extraction silver fiber coupled with complementary molecularly imprinted polymer-sensor

Thyroxine is a known disease biomarker which demands a highly sensitive and selective technique to measure ultratrace level with enantiodifferentiation of its optical isomers (d- and l-), in real samples. In this work, an approach of hyphenation between molecularly imprinted micro-solid phase extraction and a complementary molecularly imprinted polymer-sensor was adopted for enantioseparation, preconcentration, and analysis of d- and l-thyroxine. In both techniques, the same imprinted polymer, coated on a vinyl functionalized self-assembled monolayer modified silver wire, was used as the respective extraction fiber as well as sensor material. This combination enabled enhanced preconcentration of test analyte substantially so as to achieve the stringent limit [limit of detection: 0.0084 ng mL⁻¹, RSD = 0.81%, S/N = 3 (d-thyroxine); 0.0087 ng mL⁻¹, RSD = 0.63%, S/N = 3 (l-thyroxine)] of clinical detection of thyroid-related diseases, without any problems of non-specific false-positive contribution and cross-reactivity.     

Efficient Synthesis of Dimeric Oxazoles,Piperidines and Tetrahydroisoquinolines from N‐Substituted 2‐Oxazolones

A mild and practical method for the construction of heterocycles from N‐substituted 2‐oxazolones through cascade, BF₃?Et₂O/H₂O‐catalyzed reactions involving iminium ion generation and trapping by external or internal olefinic and aryl moieties is described. Mechanistic and computational studies revealed the strong protic acid HBF₄ as the initiating catalyst for these cascade reactions. Providing access to novel molecular diversity, these processes may facilitate chemical biology studies, drug discovery efforts and natural products synthesis.     

Approximation Algorithms for Two-State Anti-Ferromagnetic Spin Systems on Bounded Degree Graphs

We show that for the anti-ferromagnetic Ising model on the Bethe lattice, weak spatial mixing implies strong spatial mixing. As a by-product of our analysis, we obtain what is to the best of our knowledge the first rigorous proof of the uniqueness threshold for the anti-ferromagnetic Ising model (with non-zero external field) on the Bethe lattice. Following a method due to Weitz [15], we then use the equivalence between weak and strong spatial mixing to give a deterministic fully polynomial time approximation scheme for the partition function of the anti-ferromagnetic Ising model with arbitrary field on graphs of degree at most  $d$ , throughout the uniqueness region of the Gibbs measure on the infinite $d$ -regular tree. By a standard correspondence, our results translate to arbitrary two-state anti-ferromagnetic spin systems with soft constraints. Subsequent to a preliminary version of this paper, Sly and Sun [13] have shown that our results are optimal in the sense that, under standard complexity theoretic assumptions, there does not exist a fully polynomial time approximation scheme for the partition function of such spin systems on graphs of maximum degree  $d$ for parameters outside the uniqueness region. Taken together, the results of [13] and of this paper therefore indicate a tight relationship between complexity theory and phase transition phenomena in two-state anti-ferromagnetic spin systems.