Synthetic studies and structural aspects of novel metallacyclic compoundsof titanium(IV) incorporating nitrogen,oxygen and sulphur: 1. Reactions of cis-dialkoxy-bis(acetylacetonato)titanium(IV) with alkoxyalkanols and the crystal structure of a new modification: di-μ-oxo-bis[diacetylacetonatotitanium(IV)]

Reactions of cis-dialkoxy-bis(acetylacetonato)titanium(IV), [(acac)₂Ti(OR)₂] (R = Et, Pr ⁱ ) with alkoxyalkanols (ROCH₂CH₂OH) (R = Me, Et, n-Bu) in 1:1 and 1:2 molar ratios in refluxing benzene under anhydrous conditions yield [(acac)₂Ti(OR)_2–n (OCH₂CH₂OR) _n ] (n = 1 or 2) complexes, which were purified by distillation under reduced pressure. On the basis of i.r. and n.m.r. (¹H- and ¹³C-) spectral studies, a cis-octahedral environment around Ti^IV is proposed. On keeping the distilled dark brown-red viscous liquid [(acac)₂Ti(OEt)(OCH₂CH₂OBu)] for 2 weeks, orange yellow crystals of [(acac)₂TiO]₂ were obtained. A single crystal X-ray diffraction study suggests the product is a new modification of [(acac)₂TiO]₂.     

Synthesis of disaccharides related to the mycobacterial arabinogalactan

Several novel glycofuranoses disaccharides related to mycobacterial cell wall polysaccharides were synthesized regio- and stereoselectively using 2,3,5-tri-O-benzoyl-alpha-D-arabinofuranosyl trichloroacetimidate as a glycosyl donor.     

Genetic Algorithms for Design of Discrete Phase-only Reconfigurable Array Antennas with Fixed Dynamic Range Ratio

In this paper, we present a new method based on real-coded Genetic Algorithm (GA) with elitist model for optimal design of a reconfigurable symmetrical dual-beam uniformly spaced linear isotropic antenna array with phase-only control of quantized phase shifters. The problem is to find a common amplitude distribution that will generate a pencil beam with zero phases and a flat-top beam with discrete phases of a six-bit discrete phase shifter, without or with pre-fixing the value of dynamic range ratio (|I _max/I _min|) of excitation current amplitude distribution equal to or less than five.     

Benzopyrans. Part 42. Reactions of 4‐Oxo‐4H‐1‐benzopyran‐3‐carbaldehyde with some active methylene compounds in the presence of ammonia

The title aldehyde 1 in the presence of ammonia gives the pyridine derivatives 9‐11 respectively with acetylacetone, diethyl malonate and ethyl cyanoacetate, and ethyl (or methyl)‐l‐benzopyrano[4,3‐b]pyri‐dine‐3‐carboxylate 22 (or 23 ) with ethyl (or methyl) acetoacetate. Acetylacetone pretreated with ammonia condenses with 1 giving the fused pyridine 24 . Ammonia converts the ester 6 to the pyridine 13 or 14 . Chromic acid oxidation of 22 and 23 affords the coumarinopyridines 25 and 26 , respectively.     

Fixed point results for set-valued contractions by altering distances in complete metric spaces

Nadler’s contraction principle has led to fixed point theory of set-valued contraction in non-linear analysis. Inspired by the results of Nadler, the fixed point theory of set-valued contraction has been further developed in different directions by many authors, in particular, by Reich, Mizoguchi–Takahashi, Feng–Liu and many others. In the present paper, the concept of generalized contractions for set-valued maps in metric spaces is introduced and the existence of fixed point for such a contraction are guaranteed by certain conditions. Our first result extends and generalizes the Nadler, Feng–Liu and Klim–Wardowski theorems and the second result is different from the Reich and Mizoguchi–Takahashi results. As a consequence, we derive some results related to fixed point of set-valued maps satisfying certain conditions of integral type.     

First enantiospecific synthesis of (+)-β-herbertenol

The first enantiospecific synthesis of (+)-β-herbertenol, from naturally occurring R-(+)-citronellal, employing Taber's diazo decomposition protocol as the key step, is described.     

Structure, interactions, and antibacterial activities of MSI-594 derived mutant peptide MSI-594F5A in lipopolysaccharide micelles: role of the helical hairpin conformation in outer-membrane permeabilization

Lipopolysaccharide (LPS) provides a well-organized permeability barrier at the outer membrane of Gram-negative bacteria. Host defense cationic antimicrobial peptides (AMPs) need to disrupt the outer membrane before gaining access to the inner cytoplasmic membrane or intracellular targets. Several AMPs are largely inactive against Gram-negative pathogens due to the restricted permeation through the LPS layer of the outer membrane. MSI-594 (GIGKFLKKAKKGIGAVLKVLTTG) is a highly active AMP with a broad-spectrum of activities against bacteria, fungi, and virus. In the context of LPS, MSI-594 assumes a hairpin helical structure dictated by packing interactions between two helical segments. Residue Phe5 of MSI-594 has been found to be engaged in important interhelical interactions. In order to understand plausible structural and functional inter-relationship of the helical hairpin structure of MSI-594 with outer membrane permeabilization, a mutant peptide, termed MSI-594F5A, containing a replacement of Phe5 with Ala has been prepared. We have compared antibacterial activities, outer and inner membrane permeabilizations, LPS binding affinity, perturbation of LPS micelles structures by MSI-594 and MSI-594F5A peptides. Our results demonstrated that the MSI-594F5A has lower activities against Gram-negative bacteria, due to limited permeabilization through the LPS layer, however, retains Gram-positive activity, akin to MSI-594. The atomic-resolution structure of MSI-594F5A has been determined in LPS micelles by NMR spectroscopy showing an amphipathic curved helix without any packing interactions. The 3D structures, interactions, and activities of MSI-594 and its mutant MSI-594F5A in LPS provide important mechanistic insights toward the requirements of LPS specific conformations and outer membrane permeabilization by broad-spectrum antimicrobial peptides.     

Biosynthesis of Indigo Dye by Newly Isolated Naphthalene-Degrading Strain <Emphasis Type="Italic">Pseudomonas s</Emphasis>p. HOB1 and its Application in Dyeing Cotton Fabric

Indigo is one of the oldest dyes manufactured chemically and is mostly used in textile, food, and pharmaceutical industries. However, owing to the environmental hazards posed by the chemical production, the present scenario in the field stipulates a biosynthesis alternative for indigo production. The present study describes an indigenously isolated naphthalene-degrading strain Pseudomonas sp. HOB1 producing a blue pigment when indole was added in the growth medium. This blue pigment was analyzed by high-pressure thin-layer chromatography and other spectroscopic techniques which revealed it to be the indigo dye. Pseudomonas sp. HOB1 showed ability to produce 246 mg indigo liter⁻¹ of the medium. The K _m for the enzyme naphthalene dioxygenase which is involved in indigo formation is 0.3 mM, and V _max was as high as 50 nmol min⁻¹ mg dry biomass⁻¹. The bacterial indigo dye was further successfully applied for dyeing cotton fabrics. The high indigo productivity of Pseudomonas sp. HOB1 using naphthalene as growth substrate and its applicability on cotton fabrics, therefore, stems the probability of using this culture for commercial indigo production.     

Recovery of plutonium from aqueous waste solutions using porous zirconia spherical particles

Based on the Linssi database and UniSampo/Shaman software, an automated analysis platform has been setup for the analysis of large amounts of gamma-spectra from the primary coolant monitoring systems of a CANDU reactor. Thus, a database inventory of gaseous and volatile fission products in the primary coolant of a CANDU reactor has been established. This database is comprised of 15,000 spectra of radioisotope analysis records. Records from the database inventory were retrieved by a specifically designed data-mining module and subjected to further analysis. Results from the analysis were subsequently used to identify the reactor coolant half-life of ¹³⁵Xe and ¹³³Xe, as well as the correlations of ¹³⁵Xe and ⁸⁸Kr activities.     

N–H···π Interactions in Two Isomers of an Amino Group Containing <Emphasis Type="Italic">bis</Emphasis>-Phenol

Abstract  

Crystal structures of two bis-phenols namely bis-(3,5-dimethyl-2-hydroxyphenyl)(3-amino phenyl)methane 1 and bis-(3,5-dimethyl-4-hydroxyphenyl)(3-aminophenyl) methane 2 are determined. The compound 1 crystallises in monoclinic P2₁/c with a = 12.2579(16) ?, b = 16.0906(19) ?, c = 10.6664(13) ?, β = 115.417(7)°, V = 1900.2(4) ?³ whereas 2 crystallizes in monoclinic C2/c, a = 9.2538(2) ?, b = 18.6579(4) ?, c = 23.2725(5) ?, β = 98.796(2)°, V = 3970.89(15) ?³. The crystal lattice of both the compounds shows presence of N–H···π interactions but no O–H···π interactions.