Structural characteristics of some metallo-organic discogens

We have recently analysed the crystal and molecular structures of six metalloorganic discogens with substituted β-diketone ligands. The molecules consist of a rigid 11 atom core and a fringe made up of four phenyl rings substituted with alkyl/alkoxy chains. In complex (i), with four octyloxy chains, there are four oxygen atoms around the core. Complex (ii) is asymmetrically substituted with two heptyloxy and two heptyl chains and therefore has two oxygen atoms and complexes (iii) to (vi) have only alkyl chains and hence no oxygen atoms around the core. The metal atom used for coordination has been chosen as Cu/Pd/Ni. Determination of the crystal and molecular structures of these discogens has led to the identification of the following similarities: (1) All the six discogens crystallize in the triclinic space group P1. The recurrence of the space group may be correlated with the structural requirements for efficient packing of the molecules in the crystal lattice. (2) The coordination around the metal atom is square planar. (3) The 11 atom core is only nearly planar. (4) The phenyl rings and the chains are tilted with respect to the core. (5) The molecular conformation in the crystal confers a nearly rectangular shape to these discogens. (6) The chains are fully extended in an all trans conformation. (7) The molecular arrangement is tilted columnar except for the crystal structure of complex (ii).

In addition to the similarities, distinct differences in the crystal structural characteristics have also been observed. For example, when oxygen atoms are present in the fringe, the molecules have no crystallographic symmetry and they tend to pair. In the crystal structure of (i) where the repeat unit along the column is a molecular pair, the metal atoms are distributed in a zig-zag fashion. In the other crystals with columnar arrangement, the metal atoms are stacked one over another. Complex (ii) has a layer-like molecular arrangement in the crystalline phase.     

Novel heterocyclic 1,3,4-oxadiazole derivatives of fluoroquinolones as a potent antibacterial agent: Synthesis and computational molecular modeling

Design and synthesis of novel series of 1,3,4-oxadiazoles containing FQs derivatives and screened their antibacterial, antimycobacterial properties. The synthesized compounds were characterized by different spectral techniques like IR, ¹H NMR, ¹³C NMR, mass and elemental analysis. The results of the antimicrobial activity and compounds 6d, 6b, 6e, 6f and 6a demonstrated potent antibacterial activities with zone of inhibition of 42, 36, 37, 34 and 30 mm against S. aureus, E. faecalis, S. pneumoniae, E. coli and K. pneumoniae, respectively. 1,3,4-Oxadiazole derivatives 6a, 6b, 6 g were showed excellent antimycobacterial activity against M. smegmatis H₃₇Rv with MICs 22.35, 16.20, 20.28 µg/mL, respectively. FQs 6d and 6b exhibited highest hydrogen bonding interactions with Asp83 (3.11 A?), Ser80 (2.15 A?) Asp27 (σ-σ), Arg87 (Π-Π), Arg87 (Π-Π), Ser80 (σ-σ), Ala84 (σ-σ) and binding energies ΔG?=????6.41, ??6.97 kcal/mol with active site of topoisomerase-IV from S. pneumoniae [4KPE]. We performed a computational investigation of compounds 6a–j for their absorption, distribution, metabolism and excretion (ADME) properties by using the Molinspiration, Molsoft toolkits. The ligands 6f, 6d and 6b reveal the highest pharmacokinetic properties and possess maximum drug-likeness model score 1.59, 1.46 and 1.23, respectively.

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Evaluation of Lignocellulosic Wastes for Production of Edible Mushrooms

The degradation of lignocellulosic wastes such as paddy straw, sorghum stalk, and banana pseudostem was investigated during solid-state fermentation by edible mushrooms Pleurotus eous and Lentinus connotus. Biological efficiency of 55-65% was observed in paddy straw followed by sorghum stalk (45%) and banana pseudostem (33%) for both fungal species. The activity of extracellular enzymes, namely cellulase, polyphenol oxidase, and laccase, together with the content of cellulose, lignin, and phenols, was studied in spent substrates on seventh, 17th, and 27th days of spawning, and these values were used as indicators of the extent of lignocellulosic degradation by mushroom. Both the mushroom species proved to be efficient degraders of lignocellulosic biomass of paddy straw and sorghum stalk, and the extent of cellulose degradation was 63-72% of dry weight (d.w.), and lignin degradation was 23-30% of the d.w. In banana pseudostem, the extent of the degradation was observed to be only 15-22% of the d.w. for both lignin and cellulose. Preferential removal of cellulose during initial growth period and delayed degradation of lignin were observed in all three substrates. This is associated with decrease in activity of cellulase and polyphenol oxidase and increase in laccase activity with spawn aging in spent substrates. Thus, bioconversion of lignocellulosic biomass by P. eous and L. connotus offers a promising way to convert low-quality biomass into an improved human food.     

Study of photophysical properties AlBaq5

Pure and Ba²⁺ doped Alq₃ complexes were synthesized by simple precipitation method at room temperature, maintaining stoichiometric ratio. These complexes were characterized by XRD, UV–vis and FT-IR and photoluminescence (PL) spectra. XRD analysis reveals the polycrystalline nature of the synthesized complexes, while UV and FTIR confirm the molecular structure and the completion of quinoline ring formation and presence of quinoline structure in the metal complex. PL spectra of Alq₃ compared with barium doped complexes exhibit highest intensity in comparison to Alq₃ phosphor, which proves that barium enhances PL emission intensity of Alq₃ phosphor. The excitation spectra of the synthesized complexes are in the range of 300–480 nm with a broad peak in the range of 429–440 nm and shoulder at 380 nm, but with varying intensity. The emission wavelength lies in the range of 501–506 nm. Among all the synthesized complexes, AlBa₂q₅ exhibits maximum emission intensity. These remarkable properties of AlBaq₅ could be considered as promising materials as optoelectronic materials as well as green light emissive materials for OLEDs, PLLCD and solid state lighting applications.     

Student Outcomes in a Local Systemic Change Project

The Local Systemic Change initiative of the National Science Foundation supports projects focusing primarily on teacher enhancement through extensive professional development and the use of standards‐based curriculum materials. The underlying rationale is that the effective use of such materials will ultimately result in enhanced student learning. However, the research base regarding the impact of these efforts on student learning is rather lean. This paper describes the results of a curriculum‐aligned assessment comprising selected items from the Third International Mathematics and Science Study. The assessment was administered to fifth graders involved in a Local Systemic Change project to address the following questions: How does the performance of students involved in the project compare nationally and internationally? and Does length of involvement in the project make a difference in student performance? Additional evidence to relate student outcomes to the project's systemic change efforts are provided.     

Performance studies of compact GGAG:Ce,B thermal neutron detector coupled to Si-based photosensors

Pramana - This work concerns the modelling of the dynamics of polarisation of a centrosymmetric material subjected to an amplitude-modulated excitation (AME). The dynamic equation obtained for the...     

Enantioselective radical reactions. Evaluation of nitrogen protecting groups in the synthesis of beta-amino acids

We have investigated the effect of nitrogen protecting groups in radical addition trapping experiments leading to beta(2)-amino acids. Of the three N-protecting groups examined, the phthalimido group was optimal with respect to both yields and enantioselectivity. Additionally, radical additions to more complex acrylates were also investigated, which provided access to functionalized beta(2)-amino acids in modest selectivity.     

Modulation of morphology,water uptake/retention,and rheological properties by in-situ modification of bacterial cellulose with the addition of biopolymers

Cellulose - In situ modification of bacterial cellulose (BC) allows structural and morphological tuning which determines the crucial properties such as water absorption/retention and rheological...     

Scope and selectivity in palladium-catalyzed directed C-H bond halogenation reactions

Palladium-catalyzed ligand directed C-H activation/halogenation reactions have been extensively explored. Both the nature of the directing group and the substitution pattern on the arene ring of the substrate lead to different reactivity profiles, and often different and complementary products, in the presence and absence of the catalyst.