A Rare Phenoxido/Acetato/Azido Bridged Trinuclear and an Unprecedented Phenoxido/Azido Bridged One-Dimensional Polynuclear Nickel(II) Complexes: Synthesis, Crystal Structure, and Magnetic Properties with Theoretical Investigations on the Exchange Mechanism

The reaction of a tridentate Schiff base ligand HL (2-(3-dimethylaminopropylimino)-methyl]-phenol) with Ni(II) acetate or perchlorate salts in the presence of azide as coligand has led to two new Ni(II) complexes of formulas Ni3L2(OAc)(2)(mu(1,1)-N-3)(2)(H2O)(2)]center dot 2H(2)O (1) and Ni2L2(mu(1,1)-N-3) (mu(1,3)-N-3)](n)(2). Single crystal X-ray structures show that complex 1 is a linear trinuclear Ni(II) compound containing a mu(2)-phenwddo, an end-on (EO) azido and a syn-syn acetato bridge between the terminal and the central Ni(II) ions. Complex 2 can be viewed as a one-dimensional (1D) chain in which the triply bridged (di-mu(2)-phenoxido and EO azido) dimeric Ni-2 units are linked to each other in a zigzag pattern by a single end-to-end (EE) azido bridge. Variable-temperature magnetic susceptibility studies indicate the presence of moderate ferromagnetic exchange coupling in complex 1 with J value of 16.51(6) cm(-1). The magnetic behavior of 2 can be fitted in an alternating ferro- and antiferromagnetic model J(FM) = +34.2(2.8) cm(-1) and J(AF) = -21.6(1.1) cm(-1)] corresponding to the triple bridged dinuclear core and EE azido bridge respectively. Density functional theory (DFT) calculations were performed to corroborate the magnetic results of 1 and 2. The contributions of the different bridges toward magnetic interactions in both compounds have also been calculated.

ORTHOPYROXENE plus SILLIMANITE PREDATING SAPPHIRINE plus QUARTZ: A RARE CASE OF ULTRAHIGH-TEMPERATURE METAMORPHISM FROM THE CENTRAL ZONE, LIMPOPO COMPLEX, SOUTH AFRICA

Sapphirine + quartz and orthopyroxene + sillimanite occur in garnet from an Mg-Al granulite from the Central Zone of the Limpopo Complex in South Africa. Textural evidence and a chemical gradient in garnet between the zones preserving the inclusions argue for the formation of sapphirine + quartz after orthopyroxene + sillimanite. Petrological observations, pressure-temperature phase diagrams, and compositional and model proportion results on isopleths indicate the sapphirine + quartz + garnet + orthopyroxene (high-Al) assemblage as the peak metamorphic assemblage (similar to 1050 degrees C at similar to 8.5 kbars), whereas orthopyroxene (low-Al) + sillimanite represents the prograde stage (at ca. 900 degrees C at similar to 8.5 kbars). Our report of these two diagnostic ultrahigh-temperature mineral assemblages in garnet from an Mg-Al granulite is unique, given the rare occurrence of sapphirine + quartz postdating orthopyroxene + sillimanite assemblage in granulites.

Microearthquake activity near the Idukki Reservoir, south India: A rare example of renewed triggered seismicity

Earthquakes triggered by artificial reservoirs have been documented for more than seven decades and the processes leading to this phenomenon are fairly well understood. Larger among such earthquakes are known to occur within a few years of reservoir impoundment and usually the activity decreases with time. A documented example of Reservoir Triggered Seismicity (RTS), the Idukki Reservoir in Kerala, south India, impounded in 1975, is an exception wherein the triggered activity has been revived in 2011, nearly 35 years after the initial burst of activity in 1977, two years after the dam was filled. The magnitude of the largest shock in the 2011 sequence exceeded that of the previously documented largest microearthquake. Presence of faults that are close to failure and vulnerable to increase in pore pressure due to reservoir loading or increased rainfall, or a combination of both seems to trigger shocks in this area. The renewed burst of earthquakes after a prolonged period of reduced activity at the Idukki Reservoir is a rare example of RTS. (C) 2012 Elsevier B.V. All rights reserved.

Invisible decays of the lightest Higgs boson in supersymmetric models

We consider supersymmetric models in which the lightest Higgs scalar can decay invisibly consistent with the constraints on the 126 GeV state discovered at the CERN LHC. We consider the invisible decay in the minimal supersymmetric standard model (MSSM), as well its extension containing an additional chiral singlet superfield, the so-called next-to-minimal or nonminimal supersymmetric standard model (NMSSM). We consider the case of MSSM with both universal as well as nonuniversal gaugino masses at the grand unified scale, and find that only an E-6 grand unified model with unnaturally large representation can give rise to sufficiently light neutralinos which can possibly lead to the invisible decay h(0) -> (chi) over tilde (0)(1)(chi) over tilde (0)(1). Following this, we consider the case of NMSSM in detail, where we also find that it is not possible to have the invisible decay of the lightest Higgs scalar with universal gaugino masses at the grand unified scale. We delineate the regions of the NMSSM parameter space where it is possible for the lightest Higgs boson to have a mass of about 126 GeV, and then concentrate on the region where this Higgs can decay into light neutralinos, with the soft gaugino masses M-1 and M-2 as two independent parameters, unconstrained by grand unification. We also consider, simultaneously, the other important invisible Higgs decay channel in the NMSSM, namely the decay into the lightest CP-odd scalars, h(1) -> a(1)a(1), which is studied in detail. With the invisible Higgs branching ratio being constrained by the present LHC results, we find that mu(eff) < 170 GeV and M-1 < 80 GeV are disfavored in NMSSM for fixed values of the other input parameters. The dependence of our results on the parameters of NMSSM is discussed in detail.

DETERMINATION OF THE STRONG COUPLING FROM HADRONIC TAU DECAYS USING RENORMALIZATION GROUP SUMMED PERTURBATION THEORY

Be the strong coupling constant alpha(s) from the tau hadronn width using a renormalization group summed (RGS) expansion of the QCD Adler lunction. The main theoretical uncertainty in the extraction of as is due to the manner in which renormalization group invariance is implemented, and the as yet uncalculated higher order terms in the QCD perturbative series. We show that new expansion exhibits good renormalization group improvement and the behavior of the series is similar to that of the standard RGS expansion. The value of the strong coupling in (MS) over bar scheme obtained with the RCS expansion is alpha(s) (M-tau(2)) = 0.338 +/- 0.010. The convergence properties of the new expansion can be improved by Bond transformation and analytic continuation in t he Bond plane. This is discussed elsewhere in these issues.

Rare-earth carboxylates, Ln(2)(III)(mu(3)-OH)(C4H4O5)(2)(C4H2O4)]center dot 2H(2)O Ln = Ce, Pr and Nd]: synthesis, structure and properties

A new series of inorganic-organic hybrid framework compounds, Ln(2)(mu(3)-OH)(C4H4O5)(2)(C4H2O4)]center dot 2H(2)O, (Ln = Ce, Pr and Nd), have been prepared employing a hydrothermal method. Malic acid and fumaric acid form part of the structure. The malate units connect the lanthanide centers forming Ln-O-Ln two-dimensional layers, which are cross-linked by the fumarate units forming the three-dimensional structure. Extra framework water molecules form a dimer and occupy the channels. The water molecules can be reversibly adsorbed. The dehydrated structure did not show any differences in framework structure/ connectivity. The presence of lattice water provides a pathway for proton conductivity. Optical studies suggest an up-conversion behavior involving more than one photon for a neodymium compound.

Whole exome sequencing in an Indian family links Coats plus syndrome and dextrocardia with a homozygous novel CTC1 and a rare HES7 variation

Background: Coats plus syndrome is an autosomal recessive, pleiotropic, multisystem disorder characterized by retinal telangiectasia and exudates, intracranial calcification with leukoencephalopathy and brain cysts, osteopenia with predisposition to fractures, bone marrow suppression, gastrointestinal bleeding and portal hypertension. It is caused by compound heterozygous mutations in the CTC1 gene. Case presentation: We encountered a case of an eight-year old boy from an Indian family with manifestations of Coats plus syndrome along with an unusual occurrence of dextrocardia and situs inversus. Targeted resequencing of the CTC1 gene as well as whole exome sequencing (WES) were conducted in this family to identify the causal variations. The identified candidate variations were screened in ethnicity matched healthy controls. The effect of CTC1 variation on telomere length was assessed using Southern blot. A novel homozygous missense mutation c.1451A > C (p.H484P) in exon 9 of the CTC1 gene and a rare 3'UTR known dbSNP variation (c.*556 T > C) in HES7 were identified as the plausible candidates associated with this complex phenotype of Coats plus and dextrocardia. This CTC1 variation was absent in the controls and we also observed a reduced telomere length in the affected individual's DNA, suggesting its likely pathogenic nature. The reported p.H484P mutation is located in the N-terminal 700 amino acid regionthat is important for the binding of CTC1 to ssDNA through its two OB domains. WES data also showed a rare homozygous missense variation in the TEK gene in the affected individual. Both HES7 and TEK are targets of the Notch signaling pathway. Conclusions: This is the first report of a genetically confirmed case of Coats plus syndrome from India. By means of WES, the genetic variations in this family with unique and rare complex phenotype could be traced effectively. We speculate the important role of Notch signaling in this complex phenotypic presentation of Coats plus syndrome and dextrocardia. The present finding will be useful for genetic diagnosis and carrier detection in the family and for other patients with similar disease manifestations.

Li2MnO3: a rare red-coloured manganese(IV) oxide exhibiting tunable red-yellow-green emission

An experimental assessment of Li2MnO3 has been conducted, in conjunction with related Mn(IV) oxides, to investigate its red colour and photoluminescence. Optical absorption spectra revealed strong band gap absorption, with a sharp edge at similar to 610 nm and a transparent region between similar to 610 and similar to 650 nm, giving rise to the red colour of this compound. Octahedral Mn(IV) ligand field transitions have been observed in the excitation spectra of Li2MnO3, corresponding both to Mn(IV) at ideal sites and displaced in Li sites in the rock salt-based layered structure of Li2MnO3. Optical excitation at ligand field transition energies produces tunable emission in the red-yellow-green region, rendering Li2MnO3 a unique Mn(IV) oxide. The honeycomb-ordered LiMn6] units in its structure are probably the origin of both the absorption and the photoluminescent properties of Li2MnO3.

Invisible decays of the heavier Higgs boson in the minimal supersymmetric standard model

We consider the possibility that the heavier CP-even Higgs boson (H-0) in the minimal supersymmetric standard model (MSSM) decays invisibly into neutralinos in the light of the recent discovery of the 126 GeV resonance at the CERN Large Hadron Collider (LHC). For this purpose we consider the minimal supersymmetric standard model with universal, nonuniversal and arbitrary boundary conditions on the supersymmetry breaking gaugino mass parameters at the grand unified scale. Typically, scenarios with universal and nonuniversal gaugino masses do not allow invisible decays of the lightest Higgs boson (h(0)), which is identified with the 126 GeV resonance, into the lightest neutralinos in the MSSM. With arbitrary gaugino masses at the grand unified scale, such an invisible decay is possible. The second lightest Higgs boson can decay into various invisible final states for a considerable region of the MSSM parameter space with arbitrary gaugino masses as well as with the gaugino masses restricted by universal and nonuniversal boundary conditions at the grand unified scale. The possibility of the second lightest Higgs boson of the MSSM decaying into invisible channels is more likely for arbitrary gaugino masses at the grand unified scale. The heavier Higgs boson decay into lighter particles leads to the intriguing possibility that the entire Higgs boson spectrum of the MSSM may be visible at the LHC even if it decays invisibly, during the searches for an extended Higgs boson sector at the LHC. In such a scenario the nonobservation of the extended Higgs sector of the MSSM may carefully be used to rule out regions of the MSSM parameter space at the LHC.

Status of the MSSM Higgs sector using global analysis and direct search bounds, and future prospects at the High Luminosity LHC

In this paper, we search for the regions of the phenomenological minimal supersymmetric standard model (pMSSM) parameter space where one can expect to have moderate Higgs mixing angle (alpha) with relatively light (up to 600 GeV) additional Higgses after satisfying the current LHC data. We perform a global fit analysis using most updated data (till December 2014) from the LHC and Tevatron experiments. The constraints coming from the precision measurements of the rare b-decays B-s -> mu(+)mu(-) and b -> s gamma are also considered. We find that low M-A(less than or similar to 350) and high tan beta(greater than or similar to 25) regions are disfavored by the combined effect of the global analysis and flavor data. However, regions with Higgs mixing angle alpha similar to 0.1-0.8 are still allowed by the current data. We then study the existing direct search bounds on the heavy scalar/pseudoscalar (H/A) and charged Higgs boson (H-+/-) masses and branchings at the LHC. It has been found that regions with low to moderate values of tan beta with light additional Higgses (mass <= 600 GeV) are unconstrained by the data, while the regions with tan beta > 20 are excluded considering the direct search bounds by the LHC-8 data. The possibility to probe the region with tan beta <= 20 at the high luminosity run of LHC are also discussed, giving special attention to the H -> hh, H/A -> t (t) over bar and H/A -> tau(+)tau(-) decay modes.

Connecting Active-Site Loop Conformations and Catalysis in Triosephosphate Isomerase: Insights from a Rare Variation at Residue96 in the Plasmodial Enzyme

Despite extensive research into triosephosphate isomerases (TIMs), there exists a gap in understanding of the remarkable conjunction between catalytic loop-6 (residues 166-176) movement and the conformational flip of Glu165 (catalytic base) upon substrate binding that primes the active site for efficient catalysis. The overwhelming occurrence of serine at position96 (98% of the 6277 unique TIM sequences), spatially proximal to E165 and the loop-6 residues, raises questions about its role in catalysis. Notably, Plasmodium falciparum TIM has an extremely rare residuephenylalanineat this position whereas, curiously, the mutant F96S was catalytically defective. We have obtained insights into the influence of residue96 on the loop-6 conformational flip and E165 positioning by combining kinetic and structural studies on the PfTIM F96 mutants F96Y, F96A, F96S/S73A, and F96S/L167V with sequence conservation analysis and comparative analysis of the available apo and holo structures of the enzyme from diverse organisms.

Measurement of the direct CP asymmetry in b-->s+gamma via sum of exclusive B Meson decays using the BABAR detector

We perform a measurement of direct CP violation in b to s+gamma Acp, and the measurement of a difference between Acp for neutral B and charged B mesons, Delta A_{X_s\gamma}, using 429 inverse femtobarn of data recorded at the Upsilon(4S) resonance with the BABAR detector. B mesons are reconstructed from 16 exclusive final states. Particle identification is done using an algorithm based on Error Correcting Output Code with an exhaustive matrix. Background rejection and best candidate selection are done using two decision tree-based classifiers. We found $\acp = 1.73%+-1.93%+-1.02% and Delta A_X_sgamma = 4.97%+-3.90%+-1.45% where the uncertainties are statistical and systematic respectively. Based on the measured value of Delta A_X_sgamma, we determine a 90% confidence interval for Im C_8g/C_7gamma, where C_7gamma and C_8g are Wilson coefficients for New Physics amplitudes, at -1.64 < Im C_8g/C_7gamma < 6.52.

Interactions of a femtosecond intense laser with rare gas clusters in a dense jet\

A study on the interactions of high intensity (similar to 10(16) W/cm(2)) femtosecond laser pulses with rare gas clusters in a dense jet is performed. Energy absorption by Ar and Xe clusters is measured and it can be as high as 90%. Very energetic ions produced in the laser interaction with a dense cluster jet are detected by time-of-flight spectrometry and the maximum ion energy of Xe is up to 1.3 MeV. The average ion energies are found to increase with increasing cluster size and get saturated gradually. The average ion energies also show a strong directionality and the average ion energy in the direction parallel to the laser polarization vector is 40% higher than that perpendicular to it. The findings are discussed in terms of a model of charge-dependent ion acceleration.

I. Spectroscopic evidence for slow vibrational relaxation in excited electronic states of diatomics in rare gas solids. II. Static crystal field effects in the electronic spectra of isotopically mixed benzene crystals

Part I

Studies of vibrational relaxation in excited electronic states of simple diatomic molecules trapped in solid rare-gas matrices at low temperatures are reported. The relaxation is investigated by monitoring the emission intensity from vibrational levels of the excited electronic state to vibrational levels of the ground electronic state. The emission was in all cases excited by bombardment of the doped rare-gas solid with X-rays.

The diatomics studied and the band systems seen are: N₂, Vegard-Kaplan and Second Positive systems; O₂, Herzberg system; OH and OD, A ²Σ⁺ - X²II_i system. The latter has been investigated only in solid Ne, where both emission and absorption spectra were recorded; observed fine structure has been partly interpreted in terms of slightly perturbed rotational motion in the solid. For N₂, OH, and OD emission occurred from v' > 0, establishing a vibrational relaxation time in the excited electronic state of the order, of longer than, the electronic radiative lifetime. The relative emission intensity and decay times for different v' progressions in the Vegard-Kaplan system are found to depend on the rare-gas host and the N₂ concentration, but are independent of temperature in the range 1.7°K to 30°K.

Part II

Static crystal field effects on the absorption, fluorescence, and phosphorescence spectra of isotopically mixed benzene crystals were investigated. Evidence is presented which demonstrate that in the crystal the ground, lowest excited singlet, and lowest triplet states of the guest deviate from hexagonal symmetry. The deviation appears largest in the lowest triplet state and may be due to an intrinsic instability of the ³B_1u state. High resolution absorption and phospho- rescence spectra are reported and analyzed in terms of site-splitting of degenerate vibrations and orientational effects. The guest phosphorescence lifetime for various benzene isotopes in C₆D₆ and sym-C₆H₃D₃ hosts is presented and discussed.