Molecular Dynamic and Docking Interaction Study of Heterodera glycines Serine Proteinase with Vigna mungo Proteinase Inhibitor

Many plants do produce various defense proteins like proteinase inhibitors (PIs) to protect them against various pests. PIs function as pseudosubstrates of digestive proteinase, which inhibits proteolysis in pests and leads to amino acid deficiency-based mortality. This work reports the structural interaction studies of serine proteinase of Heterodera glycines (SPHG) with Vigna mungo proteinase inhibitor (VMPI). 3D protein structure modeling, validation of SPHG and VMPI, and their putative protein–protein binding sites were predicted. Protein–protein docking followed by molecular dynamic simulation was performed to find the reliable confirmation of SPHG–VMPI complex. Trajectory analysis of each successive conformation concludes better interaction of first loop in comparison with second loop. Lysine residues of first loop were actively participating in complex formation. Overall, this study discloses the structural aspects and interaction mechanisms of VMPI with SPHG, and it would be helpful in the development of pest-resistant genetically modified crops.     

Benzotriazole-Mediated Facile Synthesis of Novel Glycosyl Tetrazole

A facile, simple, and high-yielding synthetic protocol for novel glycosyl tetrazoles has been devised from different carbohydrate-containing amides using benzotriazole methodology under mild reaction condition.     

Synthesis of a Pentasaccharide Repeating Unit of the Extracellular Polysaccharide Produced by Lactobacillus Delbrueckii Subsp. Bulgaricus 291

A pentasaccharide methyl glycoside has been synthesized efficiently using a modified glycosylation strategy. This pentasaccharide is a repeating unit of the exopolysaccharides produced by Lactobacillus delbrueckii subsp. bulgaricus 291.     

A Novel Synthesis of Berbines1-Synthesis of 2,3-Dimethoxy-10,11-Methylenedioxyberbine by Use of Palladium Catalyzed Insertion of Carbon Monoxide

Palladium catalyzed amidation has recently been reported for the synthesis of benzolactams². We wish to report a simple and efficient method for the synthesis of berbines by the Palladium catalyzed insertion of carbon monoxide under mild reaction conditions such as an atmospheric pressure of carbon monoxide at 95° by use of a catalytic amount of Pd(OAc)₂ and PPh₃ in presence of a tertiary amine. The approach has wider applicability in the berbine synthesis³ as examplified by the synthesis of 2,3-dimethoxy-10,11-methylene-dioxyberbine 7. The bromo-1-benzyl tetrahydroisoquinoline derivative 5 ⁴, the key precursor, was prepared from the known reaction sequence involving an Schotten-Baumann condensation⁵ and B.N. reaction followed by sodium borohydride reduction.     

A Convenient Synthesis of Sendaverine

Sendaverine was isolated from Corydalis aurea willd by Manske and it was found to possess a tetrahydro-isoquinoline skeleton¹. The structural formula of the alkaloid has been established by the unambiguous synthesis by Kametani² and Miwako Mori et al.³     

H2SO4-Promoted Synthesis of (E)-Stilbenes from Substituted Phenylacetones and Substituted Benzaldehydes Through Tandem Aldol–Grob Reaction

Stilbene derivates (stilbenoids) are present in plants and show a wide range of biological activities and potential therapeutic value. In continuation of our natural product synthesis program, an efficient, simple, and practical method has been developed to regioselectively synthesize (E)-stilbenes using H₂SO₄ as a catalyst in a short time (30–60 s) at room temperature in good to excellent yields.

Hydrodynamic permeability of biporous membrane

This paper concerns the hydrodynamic permeability of biporous medium built up by porous cylindrical particles located in another porous medium by using cell model technique. It is continuation of the previous work of authors where biporous membrane was built up by porous spherical particles embedded in accompanying porous medium. Four known boundary conditions, namely, Happel’s, Kuwabara’s, Kvashnin’s and Cunningham/Mehta-Morse’s, are considered on the outer surface of the cell. The variation of hydrodynamic permeability of biporous medium (membrane) with viscosity ratio, Brinkman constants, and solid fraction are presented and discussed graphically. Comparison of the resulting hydrodynamic permeability is undertaken. Some previous results for dimensionless hydrodynamic permeability have been verified.     

Enhancement of the stability and temperature range of the mesophases in the binary mixtures of cholesteryl myristate and 4-n-decyloxy benzoic acid

Thermodynamical, optical, and electrical properties of the binary mixtures of cholesteryl myristate (ChM) and 4-n-decyloxybenzoic acid (DOBA) have been carried out by the differential scanning calorimeter, polarized optical microscopy (POM), and impedance spectroscopy. Through thermodynamic study, various phase transition temperatures, transition enthalpies, and transition entropies have been determined to investigate temperature range and stability of the mesophases of the mixtures. Phase diagrams in the heating and cooling cycles have been drawn for the ChM–DOBA binary system. Optical textures of different mesophases have identified with the help of POM. Dielectric permittivity has been determined in planar and homeotropic alignments of the mixtures having DOBA concentrations 30.0 and 92.3 mol %. The experimental dielectric data in the frequency range of 1 Hz to 35 MHz do not show any relaxation mode in both the alignments of these mixtures. Dielectric anisotropy has been determined for the various observed phases of the mixtures.     

Copper-catalyzed 1,2-addition of nucleophilic silicon to aldehydes: mechanistic insight and catalytic systems

Activation of the Si-B inter-element bond with copper(I) alkoxides produces copper-based silicon nucleophiles that react readily with aldehydes to yield α-silyl alcohols (that is, α-hydroxysilanes) after hydrolysis. Two independent protocols were developed, one employing a well-defined NHC-CuOtBu complex and one using the simple CuCN-NaOMe combination without added ligand. The mechanism of the aldehyde addition was investigated in detail by stoichiometric and catalytic experiments as well as NMR spectroscopic measurements. The primary reaction product of the addition of the Si-B reagent and the aldehyde (a boric acid ester of the α-silyl alcohol) and also the "dead-end" intermediate, formed in the competing [1,2]-Brook rearrangement, were characterized crystallographically. Based on these data, a reasonable catalytic cycle is proposed. The NHC-CuOtBu catalytic setup performs nicely at elevated temperature. A more reactive catalytic system is generated from CuCN-NaOMe, showing fast turnover at a significantly lower temperature. Both aromatic and aliphatic aldehydes are transformed into the corresponding α-silyl alcohols in good to very good yields under these mild reaction conditions.     

Experimental and Theoretical Studies of Green Synthesized Cu2O Nanoparticles Using Datura Metel L

In biomedical applications, Cu₂O nanoparticles are of great interest. The bioengineered route is eco-friendly for the synthesis of nanoparticles. Therefore, in the present study, there is an attempt to synthesis Cu₂O nanoparticles using Datura metel L. The synthesized nanoparticles were characterized by UV–Vis, XRD, and FT-IR. UV–Vis results suggest the presence of hyoscyamine, atropine in Datura metel L, and also, nanoparticles formation has been confirmed by the presence of absorption peak at 790 nm. The average crystallite size (19.56 nm) was obtained by XRD. FT-IR was also used to confirm the different functional groups. Fourier Power Spectrum was also employed to examine the synthesized nanomaterials spectrum data to emphasize the peak of the prominent frequencies. Density functional theory (DFT) was also utilized to assess the energy of the substance over time, which appears to indicate a stable molecule. Furthermore, calculated energies, thermodynamic properties (such as enthalpies, entropies, and Gibbs-free energies), modeled structures of complexes, crystals, and clusters, and predicted yields, rates, and regio- and stereospecificity of reactions were all in good agreement with experimental results. Overall, the results show that the successful production of Cu₂O nanoparticles with Datura metel L. corresponds to theoretical research.