Jahn-Teller effect induced phase transitions in CsCuCl3

Occurence of the three Jahn-Teller effect induced phase transitions of CsCuCl3 at 423, 510 and 535 K has been established and the nature of the transitions examined by X-ray crystallography, far infrared spectroscopy and other techniques.

Jahn-Teller effect induced phase transitions in CsCuCl3

Occurence of the three Jahn-Teller effect induced phase transitions of CsCuCl3 at 423, 510 and 535 K has been established and the nature of the transitions examined by X-ray crystallography, far infrared spectroscopy and other techniques.

A novel method for mapping assembled epitopes in batches: Identification of three epitopes at the receptor binding region of human chorionic gonadotropin

Identification of conformation-specific epitopes of hCG beta has been done using a simple batch method, Chemically or enzymatically-modified hCG beta has been prepared in a batch and the effect of modifications on the integrity of different epitope regions has been investigated in a quantitative manner using monoclonal antibodies (MAbs) immobilized on plastic tubes from culture supernatants. Based on the extent of damage done to different regions by different modifications, three conformation-specific epitopes of hCG beta have been identified. The method has been shown to have important advantages over the existing methods on many considerations, Using this approach, these epitopes have been shown to be at/near the receptor-binding region.

Changes in seasonal snow cover in Hindu Kush-Himalayan region

The changes in seasonal snow covered area in the Hindu Kush-Himalayan (HKH) region have been examined using Moderate – resolution Imaging Spectroradiometer (MODIS) 8-day standard snow products. The average snow covered area of the HKH region based on satellite data from 2000 to 2010 is 0.76 million km2 which is 18.23% of the total geographical area of the region. The linear trend in annual snow cover from 2000 to 2010 is −1.25±1.13%. This is in consistent with earlier reported decline of the decade from 1990 to 2001. A similar trend for western, central and eastern HKH region is 8.55±1.70%, +1.66% ± 2.26% and 0.82±2.50%, respectively. The snow covered area in spring for HKH region indicates a declining trend (−1.04±0.97%). The amount of annual snowfall is correlated with annual seasonal snow cover for the western Himalaya, indicating that changes in snow cover are primarily due to interannual variations in circulation patterns. Snow cover trends over a decade were also found to vary across seasonally and the region. Snow cover trends for western HKH are positive for all seasons. In central HKH the trend is positive (+15.53±5.69%) in autumn and negative (−03.68±3.01) in winter. In eastern HKH the trend is positive in summer (+3.35±1.62%) and autumn (+7.74±5.84%). The eastern and western region of HKH has an increasing trend of 10% to 12%, while the central region has a declining trend of 12% to 14% in the decade between 2000 and 2010. Snow cover depletion curve plotted for the hydrological year 2000–2001 reveal peaks in the month of February with subsidiary peaks observed in November and December in all three regions of the HKH.

Structure and temperature dependence of conductivity of Ag2.5Se‐Se composite

Rapid solidification of Ag‐53 at. % Se alloy resulted in the formation of a composite mixture of Ag2.5Se and Se. The microstructure consists of spherical Se grains of 2–20 μm size, randomly distributed in a matrix of Ag2.5 Se. The Se grains were found to be layered hexagonal while the Ag2.5 Se had an orthorhombic crystal structure. The unit cell size of this phase, however, was twice that reported for the equilibrium orthorhombic Ag2 Se compound. The conductivity σ variation with temperature in the range 80–320 K was found to be similar to that observed in degenerate semiconductors. The σ decreased from 295 Ω−1 cm−1 at room temperature to a saturation value of 70 Ω−1 cm−1 for temperatures <80 K. The results are discussed in terms of percolation conduction in the Ag2.5 Se phase.

Application of UPFC for system security improvement under normal and network contingencies

Electric power systems are exposed to various contingencies. Network contingencies often contribute to over-loading of network branches, unsatisfactory voltages and also leading to problems of stability/voltage collapse. To maintain security of the systems, it is desirable to estimate the effect of contingencies and plan suitable measures to improve system security/stability. This paper presents an approach for selection of unified power flow controller (UPFC) suitable locations considering normal and network contingencies after evaluating the degree of severity of the contingencies. The ranking is evaluated using composite criteria based fuzzy logic for eliminating masking effect. The fuzzy approach, in addition to real power loadings and bus voltage violations, voltage stability indices at the load buses also used as the post-contingent quantities to evaluate the network contingency ranking. The selection of UPFC suitable locations uses the criteria on the basis of improved system security/stability. The proposed approach for selection of UPFC suitable locations has been tested under simulated conditions on a few power systems and the results for a 24-node real-life equivalent EHV power network and 39-node New England (modified) test system are presented for illustration purposes.

Novel procedure for the estimation of swelling pressures of compacted bentonites based on diffuse double layer theory

Bentonite clays are proven to be attractive as buffer and backfill material in high-level nuclear waste repositories around the world. A quick estimation of swelling pressures of the compacted bentonites for different clay-water-electrolyte interactions is essential in the design of buffer and backfill materials. The theoretical studies on the swelling behavior of bentonites are based on diffuse double layer (DDL) theory. To establish theoretical relationship between void ratio and swelling pressure (e versus P), evaluation of elliptic integral and inverse analysis are unavoidable. In this paper, a novel procedure is presented to establish theoretical relationship of e versus P based on the Gouy-Chapman method. The proposed procedure establishes a unique relationship between electric potentials of interacting and non-interacting diffuse clay-water-electrolyte systems. A procedure is, thus, proposed to deduce the relation between swelling pressures and void ratio from the established relation between electric potentials. This approach is simple and alleviates the need for elliptic integral evaluation and also the inverse analysis. Further, application of the proposed approach to estimate swelling pressures of four compacted bentonites, for example, MX 80, Febex, Montigel and Kunigel V1, at different dry densities, shows that the method is very simple and predicts solutions with very good accuracy. Moreover, the proposed procedure provides continuous distributions of e versus P and thus it is computationally efficient when compared with the existing techniques.

Tuning solubility and stability of hydrochlorothiazide co-crystals

Hydrochlorothiazide (HCT), C7H8ClN3O4S2, is a diuretic BCS (Biopharmaceutics Classification System) class IV drug which has primary and secondary sulfonamide groups. To modify the aqueous solubility of the drug, co-crystals with biologically safe co-formers were screened. Multi-component molecular crystals of HCT were prepared with nicotinic acid, nicotinamide, succinamide, p-aminobenzoic acid, resorcinol and pyrogallol using liquid-assisted grinding. The co-crystals were characterized by FT-IR spectroscopy, powder X-ray diffraction (PXRD) and differential scanning calorimetry. Single crystal structures were obtained for four of them. The N-H center dot center dot center dot O sulfonamide catemer synthons found in the stable polymorph of pure HCT are replaced in the co-crystals by drug-co-former heterosynthons. Isostructural co-crystals with nicotinic acid and nicotinamide are devoid of the common sulfonamide dimer/catemer synthons. Solubility and stability experiments were carried out for the co-crystals in water (neutral pH) under ambient conditions. Among the six binary systems, the co-crystal with p-aminobenzoic acid showed a sixfold increase in solubility compared with pure HCT, and stability up to 24 h in an aqueous medium. The co-crystals with nicotinamide, resorcinol and pyrogallol showed only a 1.5-2-fold increase in solubility and transformed to HCT within 1 h of the dissolution experiment. An inverse correlation is observed between the melting points of the co-crystals and their solubilities.

Design and synthesis of new low band gap organic semiconductors for photovoltaic applications

Donor-acceptor (D-A) conjugated polymers have attracted a good deal of attention in recent years. In D-A systems, the introduction of electron withdrawing groups reduces E-g by lowering the LUMO levels whereas, the introduction of electron donating groups reduces E-g by raising the HOMO levels. Also, conjugated polymers with desired HOMO and LUMO energy levels could be obtained by the proper selection of donor and acceptor units. Because of this reason, D-A conjugated polymers are emerging as promising materials particularly for polymer light emitting diodes (PLEDs) and polymer solar cells (PSCs). We report the design and synthesis of four new narrow band gap donor-acceptor (D-A) conjugated polymers, PTCNN, PTCNF, PTCNV and PTCNO, containing electron donating 3,4-didodecyloxythiophene and electron accepting cyanovinylene units. The effects of further addition of electron donating and electron withdrawing groups to the repeating unit of a D-A conjugated polymer (PTCNN) on its optical and electrochemical properties are discussed. The studies revealed that the nature of D and A units as well as the extent of alternate D-A structure influences the optical and the electrochemical properties of the polymers. All the polymers are thermally stable up to a temperature of 300 degrees C under nitrogen atmosphere. The electrochemical studies revealed that the polymers possess low-lying HOMO energy levels and low-lying LUMO energy levels. In the UV-Vis absorption study, the polymer films displayed broad absorption in the wavelength region of 400-700 nm. The polymers exhibited low optical band gaps in the range 1.70 - 1.77 eV.

Thermal Decomposition of Propargyl Alcohol: Single Pulse Shock Tube Experimental and ab Initio Theoretical Study

Thermal decomposition of propargyl alcohol (C3H3OH), a molecule of interest in interstellar chemistry and combustion, was investigated using a single pulse shock tube in the temperature ranging from 953 to 1262 K. The products identified include acetylene, propyne, vinylacetylene, propynal, propenal, and benzene. The experimentally observed overall rate constant for thermal decomposition of propargyl alcohol was found to be k = 10((10.17 +/- 0.36)) exp(-39.70 +/- 1.83)/RT) s(-1) Ab initio theoretical calculations were carried out to understand the potential energy surfaces involved in the primary and secondary steps of propargyl alcohol thermal decomposition. Transition state theory was used to predict the rate constants, which were then used and refined in a kinetic simulation of the product profile. The first step in the decomposition is C-O bond dissociation, leading to the formation of two important radicals in combustion, OH and propargyl. This has been used to study the reverse OH propargyl radical reaction, about which there appears to be no prior work. Depending on the site of attack, this reaction leads to propargyl alcohol or propenal, one of the major products at temperatures below 1200 K. A detailed mechanism has been derived to explain all the observed products.

Searches for new symmetries in pp collisions with the razor kinematic variables at √s = 7 TeV

The construction and LHC phenomenology of the razor variables M_R, an event-by-event indicator of the heavy particle mass scale, and R, a dimensionless variable related to the transverse momentum imbalance of events and missing transverse energy, are presented.  The variables are used  in the analysis of the first proton-proton collisions dataset at CMS  (35 pb^-1) in a search for superpartners of the quarks and gluons, targeting indirect hints of dark matter candidates in the context of supersymmetric theoretical frameworks. The analysis produced the highest sensitivity results for SUSY to date and extended the LHC reach far beyond the previous Tevatron results.  A generalized inclusive search is subsequently presented for new heavy particle pairs produced in √s = 7 TeV proton-proton collisions at the LHC using 4.7±0.1 fb^-1 of integrated luminosity from the second LHC run of 2011.  The selected events are analyzed in the 2D razor-space of M_R and R and the analysis is performed in 12 tiers of all-hadronic, single and double leptons final states in the presence and absence of b-quarks, probing the third generation sector using the event heavy-flavor content.   The search is sensitive to generic supersymmetry models with minimal assumptions about the superpartner decay chains. No excess is observed in the number or shape of event yields relative to Standard Model predictions. Exclusion limits are derived in the CMSSM framework with  gluino masses up to 800 GeV and squark masses up to 1.35 TeV excluded at 95% confidence level, depending on the model parameters. The results are also interpreted for a collection of simplified models, in which gluinos are excluded with masses as large as 1.1 TeV, for small neutralino masses, and the first-two generation squarks, stops and sbottoms are excluded for masses up to about 800, 425 and 400 GeV, respectively.

With the discovery of a new boson by the CMS and ATLAS experiments in the γ-γ and 4 lepton final states, the identity of the putative Higgs candidate must be established through the measurements of its properties. The spin and quantum numbers are of particular importance, and we describe a method for measuring the J^PC of this particle using the observed signal events in the H to ZZ^* to 4 lepton channel developed before the discovery. Adaptations of the razor kinematic variables are introduced for the H to WW^* to 2 lepton/2 neutrino channel, improving the resonance mass resolution and increasing the discovery significance. The prospects for incorporating this channel in an examination of the new boson J^PC is discussed, with indications that this it could provide complementary information to the H to ZZ^* to 4 lepton final state, particularly for measuring CP-violation in these decays.

Valoración de la composición corporal y de la percepción de la imagen en un grupo de mujeres universitarias del País Vasco

Este trabajo se encuentra bajo la licencia Creative Commons Attribution 3.0.