Evaluation of Nutritional Substances and Investigation of Antioxidant and Antimicrobial Potentials of Boerhavia diffusa with in Silico Molecular Docking

Boerhavia diffusa L. Nyctanginaceae (B. diffusa) is a medicinal herb commonly considered as a weed. The exploration of phytochemicals in different parts of B. diffusa with different solvents will create awareness, along with the suitable solvent and method for extraction of pharmaceutical compounds. Hence, the present study focuses on phytochemical analysis of B. diffusa leaves, stems, and roots in various solvents with hot and cold extraction. The decoctions performed well in most of the qualitative and quantitative tests, along with the DPPH assay. The aqueous extract showed a good result in the FRAP assay and ABTS assay. In the antimicrobial test, the B. diffusa root ethanol extract inhibited the growth of Pseudomonas aeruginosa and Staphylococcus aureus with zones of inhibition of about 8 mm and 20 mm at 200 µg concentration, respectively. Using a molecular docking approach, the top four ranked molecules from the crude extract of B. diffusa profiled from GC–MS spectroscopy in terms of growth inhibition of the pathogenic bacterium P. aeruginosa were selected; among them, 2-(1,2 dihydroxyethyl)-5-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]oxolane-3,4-diol exhibited the minimum binding score, revealing high affinity in complex. B. diffusa is highly nutritious, and the maceration and decoction extracts were similar except for the chloroform extract that was found to be weak.     

Pressure Effects in Adsorption Systems

A study of the occurrence of large pressure and flow transients when a strongly adsorbed gas is fed to a column which is initially loaded with a lightly adsorbed gas is presented here. Under certain conditions, these transients can cause premature breakthrough and change the shape of the breakthrough curve. This will result in improper estimation of adsorption parameters by the dynamic column loading method and lower apparent adsorption capacity in a full scale unit. A data acquisition system was used to record the pressure and flow transients. An isothermal PDE model developed to study these transients agreed reasonably well with the nonisothermal experimental results. The PDE model predicts that pressure and flow transients will occur during step and pulse~tests conducted to obtain adsorption and mass transfer parameters by the chromatographic method. For instance, lower adsorption capacity will be realized during step tests due to lowering in column pressure. Oscillations were observed when columns are connected in series. The PDE model also predicts these oscillations. Simulations indicate that the extent of oscillations is dependent on the dead volume between columns.     

Rotational co-existence in selenium isotopes

High spin states of ^72,73,74Se nuclei are discussed using calculations from the cranked Nilsson Strutinsky method with tuning to fixed spins. The low spin anomaly in the yrast bands of these nuclei is interpreted in a rotational co-existence picture. High K rotational isomers are proposed for I ^π =4⁺ in ⁷²Se and 6⁺ in ⁷⁴Se.     

Evaluation of Value Time Sequencing Rules in a Real World Job Shop

This paper reports a case study carried out in an Engineering industry manufacturing nineteen types of products against orders. The objective of this research was to select the sequencing rule that will optimise the combined performance of work-in-process inventory in monetary terms and delivery performance. Past studies in this area show that rules based on either the value of the orders or the value-processing time of the orders have not been investigated. This study evaluates the performance of the two sequencing rules based on the value and processing time of the orders: (i) Lowest Value Time rule (LVT) (ii) Highest Value Time rule (HVT). Incidental to this study, a few other sequencing rules were evaluated. To carry out the investigations, a simulator using GPSS (General Purpose Simulation System) was developed.     

NaIO4/LiBr-mediated diastereoselective dihydroxylation of olefins: a catalytic approach to the Prevost-Woodward reaction

[reaction: see text] LiBr catalyzes efficiently the dihydroxylation of alkenes to afford syn and anti diols with excellent diastereoselectivity depending upon the use of NaIO(4) (30 mol %) or PhI(OAc)(2) (1 equiv), respectively, as the oxidants. The oxidation of non-benzylic halides has been achieved for the first time to afford the corresponding diols in excellent yields.     

Amphiphilic homopolymer as a reaction medium in water: product selectivity within polymeric nanopockets

A styrene-based water-soluble polymer has been explored for its use as a host for lipophilic substrates in aqueous medium. Unimolecular reactions, namely, photo-Fries rearrangement of naphthyl esters, alpha-cleavage reaction of 1-phenyl-3-p-tolyl-propan-2-one, and Norrish type I and type II reactions of benzoin alkyl ethers were examined. We find that the hydrophobic domains generated by the polymer not only restrict the mobility of the radicals but also modestly incarcerate the substrate, intermediates, and products during the time scale of the reactions. Comparative studies of the same photoreactions in micelles formed from small molecule surfactants and an amphiphilic diblock copolymer demonstrate that the styrene-based water-soluble polymer aggregates in aqueous medium offer better selectivity.     

A new pillared lithium bismuth phosphate,LiBi7.37P3O19, with elliptical channels

The structure of a new lithium bismuth phosphate, LiBi_7.37P₃O₁₉, consists of infinite OBi₄ edge‐sharing tetrahedral chains in the ac plane, which form Bi₂O₂ layers parallel to the b axis. They are sandwiched between PO₄ tetrahedral and Bi polyhedral layers. The PO₄–Bi–PO₄ layers are bridged by columns formed by one Bi polyhedron flanked on each side by LiO₄ tetrahedra. This bridging Bi atom lies on a twofold axis, special position 4e of the C2/c space group. This arrangement creates pillared open elliptical channels parallel to [010].     

Syntheses and characterizations of aniline/butylthioaniline copolymers: Comparisons of copolymers prepared by the new concurrent reduction and substitution route and the conventional oxidative copolymerization method

New highly solution‐processable aniline/butylthioaniline copolymers were prepared via oxidative copolymerization (OCP) and by concurrent reduction and substitution (CRS). Butylthio‐substituted polyaniline obtained via the CRS route (Pan‐SBu), being in line with the expected property changes after the addition of an electron‐donating substituent to an aromatic ring, displayed a lowered redox potential (E⁰) and a redshifted maximum wavelength (λ_max; ultraviolet–visible) in comparison with its parent unsubstituted polyaniline (Pan). However, copolymers CP1–CP4 (obtained via the OCP method) displayed opposite behaviors, showing higher E⁰ values and blueshifts in λ_max than the unsubstituted Pan. The results suggested that CP1–CP4 had shorter conjugation lengths than the unsubstituted Pan, possibly because of their chain conjugation defects (e.g., 1,3‐ring linkage structures), as evidenced by IR studies. The results of ¹H NMR studies also indicated that Pan‐SBu had much higher structural homogeneity than copolymer CP4. Because the CRS synthetic route involved no backbone alternations, the resultant copolymer (Pan‐SBu) should have maintained the same backbone structure and hence the high conductivity of the parent unsubstituted Pan. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 1767–1777, 2005