Characterization of groundwater chemistry under the influence of lithologic and anthropogenic factors along a climatic gradient in Upper Cauvery basin, South India

Hydrogeological and climatic effect on chemical behavior of groundwater along a climatic gradient is studied along a river basin. `Semi-arid' (500-800 mm of mean annual rainfall), `sub-humid' (800-1,200 mm/year) and `humid' (1,200-1,500 mm/year) are the climatic zones chosen along the granito-gneissic plains of Kabini basin in South India for the present analysis. Data on groundwater chemistry is initially checked for its quality using NICB ratio (<+/- 5 %), EC versus TZ+ (similar to 0.85 correlation), EC versus TDS and EC versus TH analysis. Groundwater in the three climatic zones is `hard' to `very hard' in terms of Ca-Mg hardness. Polluted wells are identified (> 40 % of pollution) and eliminated for the characterization. Piper's diagram with mean concentrations indicates the evolution of CaNaHCO3 (semi-arid) from CaHCO3 (humid zone) along the climatic gradient. Carbonates dominate other anions and strong acids exceeded weak acids in the region. Mule Hole SEW, an experimental watershed in sub-humid zone, is characterized initially using hydrogeochemistry and is observed to be a replica of entire sub-humid zone (with 25 wells). Extension of the studies for the entire basin (120 wells) showed a chemical gradient along the climatic gradient with sub-humid zone bridging semi-arid and humid zones. Ca/Na molar ratio varies by more than 100 times from semi-arid to humid zones. Semi-arid zone is more silicaceous than sub-humid while humid zone is more carbonaceous (Ca/Cl similar to 14). Along the climatic gradient, groundwater is undersaturated (humid), saturated (sub-humid) and slightly supersaturated (semi-arid) with calcite and dolomite. Concentration-depth profiles are in support of the geological stratification i.e., not approximate to 18 m of saprolite and similar to 25 m of fracture rock with parent gneiss beneath. All the wells are classified into four groups based on groundwater fluctuations and further into `deep' and `shallow' based on the depth to groundwater. Higher the fluctuations, larger is its impact on groundwater chemistry. Actual seasonal patterns are identified using `recharge-discharge' concept based on rainfall intensity instead of traditional monsoon-non-monsoon concept. Non-pumped wells have low Na/Cl and Ca/Cl ratios in recharge period than in discharge period (Dilution). Few other wells, which are subjected to pumping, still exhibit dilution chemistry though water level fluctuations are high due to annual recharge. Other wells which do not receive sufficient rainfall and are constantly pumped showed high concentrations in recharge period rather than in discharge period (Anti-dilution). In summary, recharge-discharge concept demarcates the pumped wells from natural deep wells thus, characterizing the basin.

Growth and characterization of L-histidinium 2-nitrobenzoate single crystals: A new NLO material

Crystals of a new nonlinear optical (NLO) material, viz., L-histidinium 2-nitrobenzoate (LHNB) (1) were grown by slow evaporation of an aqueous solution containing equimolar concentrations of L-histidine and 2-nitrobenzoic acid. The structure of the title compound which crystallizes in the non-centrosymmetric monoclinic space group P2(1) was elucidated using single crystal X-ray intensity data. The UV-Vis-NIR spectrum of 1 reveals its transparent nature while the vibrational spectra confirm the presence of the functional groups in 1. The thermal stability and second harmonic generation (SHG) conversion efficiency of 1 were also investigated. (C) 2012 Elsevier GmbH. All rights reserved.

In vitro and in vivo characterization of designed immunogens derived from the CD-helix of the stem of influenza hemagglutinin

The conserved stem domain of influenza virus hemagglutinin (HA) is a target for broadly neutralizing antibodies and a potential vaccine antigen for induction of hetero-subtypic protection. The epitope of 12D1, a previously reported bnAb neutralizing several H3 subtype influenza strains, was putatively mapped to residues 76-106 of the CD-helix, also referred to as long alpha helix (LAH) of the HA stem. A peptide derivative consisting of wt-LAH residues 76-130 conjugated to keyhole limpet hemocyanin was previously shown to confer robust protection in mice against challenge with influenza strains of subtypes H3, H1, and H5 which motivated the present study. We report the design of multiple peptide derivatives of LAH with or without heterologous trimerization sequences and show that several of these are better folded than wt-LAH. However, in contrast to the previous study immunization of mice with wt-LAH resulted in negligible protection against a lethal homologous virus challenge, while some of the newly designed immunogens could confer weak protection. Combined with structural analysis of HA, our data suggest that in addition to LAH, other regions of HA are likely to significantly contribute to the epitope for 12D1 and will be required to elicit robust protection. In addition, a dynamic, flexible conformation of isolated LAH peptide may be required for eliciting a functional anti-viral response. Proteins 2013; 81:1759-1775. (c) 2013 Wiley Periodicals, Inc.

Identification and characterization of starvation induced msdgc-1 promoter involved in the c-di-GMP turnover

C-di-GMP Bis-(3'-5')-cyclic-dimeric-guanosine monophosphate], a second messenger is involved in intracellular communication in the bacterial species. As a result several multi-cellular behaviors in both Gram-positive and Gram-negative bacteria are directly linked to the intracellular level of c-di-GMP. The cellular concentration of c-di-GMP is maintained by two opposing activities, diguanylate cyclase (DGC) and phosphodiesterase (PDE-A). In Mycobacterium smegmatis, a single bifunctional protein MSDGC-1 is responsible for the cellular concentration of c-di-GMP. A better understanding of the regulation of c-di-GMP at the genetic level is necessary to control the function of above two activities. In this work, we have characterized the promoter element present in msdgc-1 along with the + 1 transcription start site and identified the sigma factors that regulate the transcription of msdgc-1. Interestingly, msdgc-1 utilizes SigA during the initial phase of growth, whereas near the stationary phase SigB containing RNA polymerase takes over the expression of msdgc-1. We report here that the promoter activity of msdgc-1 increases during starvation or depletion of carbon source like glucose or glycerol. When msdgc-1 is deleted, the numbers of viable cells are similar to 10 times higher in the stationary phase in comparison to that of the wild type. We propose here that msdgc-1 is involved in the regulation of cell population density. (C) 2013 Elsevier B.V. All rights reserved.

Growth and Characterization of Vertically Aligned ZnO Hierarchical Nanostructures

Vertically aligned zinc oxide (ZnO) hierarchical nanostructures were developed by homo-epitaxial growth method using nickel as catalyst, and their physical properties were investigated and reported. ZnO nanorods grown by vapor-liquid-solid method are single crystalline and grown along the < 001 > direction, whereas the second order nano-branches are grown along the < 110 > direction. The homo-epitaxial relation between nano-branches (ZnOb) and ZnO cores (ZnOc) is found to be (110)ZnOb//(110)ZnOc and (002)ZnOb//(002)ZnOc. The simple and hierarchical nanostructures exhibited ultra-violet emission peak at 380 nm as near band edge emission of ZnO and have very weak defects related peak at 492 nm. (C) 2013 The Electrochemical Society. All rights reserved.

Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): Insights from kinetic and crystallographic studies

Short-chain fatty acids (SCFAs) play a major role in carbon cycle and can be utilized as a source of carbon and energy by bacteria. Salmonella typhimurium propionate kinase (StTdcD) catalyzes reversible transfer of the gamma-phosphate of ATP to propionate during L-threonine degradation to propionate. Kinetic analysis revealed that StTdcD possesses broad ligand specificity and could be activated by various SCFAs (propionate > acetate approximate to butyrate), nucleotides (ATP approximate to GTP > CTP approximate to TTP; dATP > dGTP > dCTP) and metal ions (Mg2+ approximate to Mn2+ > Co2+). Inhibition of StTdcD by tricarboxylic acid (TCA) cycle intermediates such as citrate, succinate, alpha-ketoglutarate and malate suggests that the enzyme could be under plausible feedback regulation. Crystal structures of StTdcD bound to PO4 (phosphate), AMP, ATP, Ap4 (adenosine tetraphosphate), GMP, GDP, GTP, CMP and CTP revealed that binding of nucleotide mainly involves hydrophobic interactions with the base moiety and could account for the broad biochemical specificity observed between the enzyme and nucleotides. Modeling and site-directed mutagenesis studies suggest Ala88 to be an important residue involved in determining the rate of catalysis with SCFA substrates. Molecular dynamics simulations on monomeric and dimeric forms of StTdcD revealed plausible open and closed states, and also suggested role for dimerization in stabilizing segment 235-290 involved in interfacial interactions and ligand binding. Observation of an ethylene glycol molecule bound sufficiently close to the gamma-phosphate in StTdcD complexes with triphosphate nucleotides supports direct in-line phosphoryl transfer. (C) 2013 Elsevier B.V. All rights reserved.

Synthesis, Characterization, and Properties of Few-Layer MoO3

Nanosheets of MoO3 that consist of only a few layers have been prepared by using four methods, including the oxidation of MoS2 nanosheets, intercalation with LiBr, and ultrasonication. These nanosheets have been characterized by atomic force microscopy and other techniques. Besides showing a blue-shift of the optical absorption band compared to the bulk sample, few-layer MoO3 exhibits enhanced photocatalytic activity. In combination with a borocarbonitride, few-layer MoO3 shows good performance characteristics as a supercapacitor electrode.

Interface characterization of Co2MnGe/Rh2CuSn Heusler multilayers

To address the amount of disorder and interface diffusion induced by annealing, all-Heusler multilayer structures, consisting of ferromagnetic Co2MnGe and nonmagnetic Rh2CuSn layers of varying thicknesses, have been investigated by means of hard x-ray photoelectron spectroscopy and x-ray magnetic circular dichroism. We find evidence for a 4 angstrom thick magnetically dead layer that, together with the identified interlayer diffusion, are likely reasons for the unexpectedly small magnetoresistance found for current-perpendicular-to-plane giant magnetoresistance devices based on this all-Heusler system. We find that diffusion begins already at comparably low temperatures between 200 and 250 degrees C, where Mn appears to be most prone to diffusion.

Synthesis, structure, characterization and photocatalytic activity of Bi2Zr2O7 under solar radiation

Bi2Zr2O7 was synthesized via a facile solution combustion method. Two different fuels, urea and tartaric acid were used in the synthesis, which resulted in Bi2Zr2O7 crystals with different band gaps and surface areas. The structure has been determined by Rietveld refinement followed by the difference Fourier technique. The compound crystallizes in the space group Fm (3) over barm. The photocatalytic degradation of two dyes was carried out under solar radiation. Bi2Zr2O7 prepared using urea as the fuel exhibits a higher photocatalytic activity than the compound prepared using tartaric acid and comparable activity to that of commercial Evonik P-25 TiO2. It is suggested that this is due to the oxygen vacancies occurring in the two cases, the urea based compound has an occupancy of 0.216, whereas the tartaric acid based synthesis shows disorder in the oxygen position amounting to a small number of oxygen vacancies.

Algebraic characterization of rainbow connectivity

The use of algebraic techniques to solve combinatorial problems is studied in this paper. We formulate the rainbow connectivity problem as a system of polynomial equations. We first consider the case of two colors for which the problem is known to be hard and we then extend the approach to the general case. We also present a formulation of the rainbow connectivity problem as an ideal membership problem.

Polymer template-assisted microemulsion synthesis of large surface area, porous Li2MnO3 and its characterization as a positive electrode material of Li-ion cells

Lithium-rich manganese oxide (Li2MnO3) is prepared by reverse microemulsion method employing Pluronic acid (P123) as a soft template and studied as a positive electrode material. The as-prepared sample possesses good crystalline structure with a broadly distributed mesoporosity but low surface area. As expected, cyclic voltammetry and charge-discharge data indicate poor electrochemical activity. However, the sample gains surface area with narrowly distributed mesoporosity and also electrochemical activity after treating in 4 M H2SO4. A discharge capacity of about 160 mAh g(-1) is obtained. When the acid-treated sample is heated at 300 A degrees C, the resulting porous sample with a large surface area and dual porosity provides a discharge capacity of 240 mAh g(-1). The rate capability study suggests that the sample provides about 150 mAh g(-1) at a specific discharge current of 1.25 A g(-1). Although the cycling stability is poor, the high rate capability is attributed to porous nature of the material.

Morphological and electrochemical characterization of electrodeposited Zn-Ag nanoparticle composite coatings

Silver nanoparticles with an average size of 23 nm were chemically synthesized and used to fabricate Zn-Ag composite coatings. The Zn-Ag composite coatings were generated by electrodeposition method using a simple sulfate plating bath dispersed with 0.5, land 1.5 g/l of Ag nanoparticles. Scanning electron microscopy, X-ray diffraction and texture co-efficient calculations revealed that Ag nanoparticles appreciably influenced the morphology, micro-structure and texture of the deposit. It was also noticed that agglomerates of Ag nanopartides, in the case of high bath load conditions, produced defects and dislocations on the deposit surface. Ag nanoparticles altered the corrosion resistance property of Zn-Ag composite coatings as observed from Tafel polarization, electrochemical impedance analysis and an immersion test. Reduction in corrosion rate with increased charge transfer resistance was observed for Zn-Ag composite coatings when compared to a pure Zn coating. However, the particle concentration in the plating bath and their agglomeration state directly influenced the surface morphology and the subsequent corrosion behavior of the deposits. (C) 2013 Elsevier Inc. All rights reserved.

CHARACTERIZATION AND HARDNESS OF Co-P COATINGS OBTAINED FROM DIRECT CURRENT ELECTRODEPOSITION USING GLUCONATE BATH

Direct current electrodeposition of Co-P alloy coatings were carried out using gluconate bath and they were characterized by employing techniques like XRD, FESEM, DSC and XPS. Broad XRD lines demonstrate the amorphous nature of Co-P coatings. Spherical and rough nodules are observed on the surface of coatings as seen from FESEM images. Three exothermic peaks around 290, 342 and 390 degrees C in DSC profiles of Co-P coatings could be attributed to the crystallization and formation of Co2P phase in the coatings. As-deposited coatings consist of Co metal and oxidized Co species as revealed by XPS studies. Bulk alloy P (P delta-) as well as oxidized P (P5+) are present on the surface of coatings. Concentrations of Co metal and P delta- increase with successive sputtering of the coating. Observed microhardness value is 1005 HK when Co-P coating obtained from 10 g L-1 NaH2PO2 is heated at 400 degrees C that is comparable with hard chromium coatings.

Pr6O11 micro-spherical nano-assemblies: microwave-assisted synthesis, characterization and optical properties

We report the synthesis of Pr6O11 microspheres self-assembled from ultra-small nanocrystals formed by the microwave irradiation of a solution of a salt of Pr in ethylene glycol (EG). The as-prepared product consists of microspheres measuring 200 to 500 nm in diameter and made of <5 nm nano-crystallites. The surface of these microspheres/nanocrystals is covered/capped with an organic layer of ethylene glycol as shown by TEM analysis and confirmed by IR spectroscopy measurements. The as-prepared product shows blue-green emission under excitation, which changes to orange-red when the product is annealed in air at 600 degrees C for 2 h. This change in luminescence behaviour can be attributed to presence of ethylene glycol layer in the as-prepared product. The samples were characterized by X-ray powder diffraction (XRD), field emission scanning electron microscopy (FE-SEM), IR Spectroscopy (IR), transmission electron microscopy (TEM), and thermogravimetric analysis (TGA). (C) 2013 Elsevier B.V. All rights reserved.

Crystallographic texture and microstructure evolution during hot compression of Ti-6Al-4V-0.1B alloy in the (alpha plus beta)-regime

Microstructure and texture are known to undergo drastic modifications due to trace hypoeutectic boron addition (similar to 0.1wt.%) for various titanium alloys e.g. Ti-6Al-4V. The deformation behaviour of such an alloy Ti-6Al-4V-0.1B is investigated in the (+) phase field and compared against that of the base alloy Ti-6Al-4V studied under selfsame conditions. The deformation microstructures for the two alloys display bending and kinking of lamellae in near and softening via globularization of lamella in near phase regimes, respectively. The transition temperature at which pure slip based deformation changes to softening is lower for the boron added alloy. The presence of TiB particles is largely held attributable for the early softening of Ti-6Al-4V-0.1B alloy. The compression texture of both the alloys carry signature of pure phase defamation at lower temperature and phase transformation near the transus temperature. Texture is influenced by a complex interplay of the deformation and transformation processes in the intermediate temperature range. The contribution from phase transformation is prominent for Ti-6Al-4V-0.1B alloy at comparatively lower temperature.