Tetramer Orbital-Ordering induced Lattice-Chirality in Ferrimagnetic, Polar MnTi2O4

Using density-functional theory calculations and experimental investigations on structural, magnetic and dielectric properties, we have elucidated a unique tetragonal ground state for MnTi2O4, a Ti^{3+} (3d^1)-ion containing spinel-oxide. With lowering of temperature around 164 K, cubic MnTi2O4 undergoes a structural transition into a polar P4_1 tetragonal structure and at further lower temperatures, around 45 K, the system undergoes a paramagnetic to ferrimagnetic transition. Magnetic superexchange interactions involving Mn and Ti spins and minimization of strain energy associated with co-operative Jahn-Teller distortions plays a critical role in stabilization of the unique tetramer-orbital ordered ground state which further gives rise to lattice chirality through subtle Ti-Ti bond-length modulations

Tracing the Vedic Saraswati River in the Great Rann of Kachchh

© The Author(s), 2017. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Scientific Reports 7 (2017): 5476, doi:10.1038/s41598-017-05745-8.The lost Saraswati River mentioned in the ancient Indian tradition is postulated to have flown independently of the Indus River into the Arabian Sea, perhaps along courses of now defunct rivers such as Ghaggar, Hakra and Nara. The persistence of such a river during the Harappan Bronze Age and the Iron Age Vedic period is strongly debated. We drilled in the Great Rann of Kachchh (Kutch), an infilled gulf of the Arabian Sea, which must have received input from the Saraswati, if active. Nd and Sr isotopic measurements suggest that a distinct source may have been present before 10 ka. Later in Holocene, under a drying climate, sediments from the Thar Desert probably choked the signature of an independent Saraswati-like river. Alternatively, without excluding a Saraswati-like secondary source, the Indus and the Thar were the dominant sources throughout the post-glacial history of the GRK. Indus-derived sediment accelerated the infilling of GRK after ~6 ka when the Indus delta started to grow. Until its complete infilling few centuries ago, freshwater input from the Indus, and perhaps from the Ghaggar-Hakra-Nara, probably sustained a productive marine environment as well as navigability toward old coastal Harappan and historic towns in the region.The drilling effort and subsequent study of the cores was funded by Department of Science and Technology (DST), Government of India sponsored research project to DMM (Project No. SR/S4/ES-21/Kachchh Window/P1) under the science of Shallow Subsurface Programme (SSS). N. Khonde gratefully acknowledges Indo-US Post-doctoral Fellowship sponsored by SERB-IUSSTF for research work at Woods Hole Oceanographic Institution

Focused molecular analysis of small cell lung cancer: feasibility in routine clinical practice

© 2015 Abdelraouf et al.Background: There is an urgent need to identify molecular signatures in small cell lung cancer (SCLC) that may select patients who are likely to respond to molecularly targeted therapies. In this study, we investigate the feasibility of undertaking focused molecular analyses on routine diagnostic biopsies in patients with SCLC. Methods: A series of histopathologically confirmed formalin-fixed, paraffin-embedded SCLC specimens were analysed for epidermal growth factor receptors (EGFR), KRAS, NRAS and BRAF mutations, ALK gene rearrangements and MET amplification. EGFR and KRAS mutation testing was evaluated using real time polymerase chain reaction (RT-PCR cobas®), BRAF and NRAS mutations using multiplex PCR and capillary electrophoresis-single strand conformation analysis, and ALK and MET aberrations with fluorescent in situ hybridization. All genetic aberrations detected were validated independently. Results: A total of 105 patients diagnosed with SCLC between July 1990 and September 2006 were included. 60 (57 %) patients had suitable tumour tissue for molecular testing. 25 patients were successfully evaluated for all six pre-defined molecular aberrations. Eleven patients failed all molecular analysis. No mutations in EGFR, KRAS and NRAS were detected, and no ALK gene rearrangements or MET gene amplifications were identified. A V600E substitution in BRAF was detected in a Caucasian male smoker diagnosed with SCLC with squamoid and glandular features. Conclusion: The paucity of patients with sufficient tumour tissue, quality of DNA extracted and low frequency of aberrations detected indicate that alternative molecular characterisation approaches are necessary, such as the use of circulating plasma DNA in patients with SCLC

Chromospheric Velocities of a C-class Flare

We use high spatial and temporal resolution observations from the Swedish Solar Telescope to study the chromospheric velocities of a C-class flare originating from active region NOAA 10969. A time-distance analysis is employed to estimate directional velocity components in H-alpha and Ca II K image sequences. Also, imaging spectroscopy has allowed us to determine flare-induced line-of-sight velocities. A wavelet analysis is used to analyse the periodic nature of associated flare bursts. Time-distance analysis reveals velocities as high as 64 km/s along the flare ribbon and 15 km/s perpendicular to it. The velocities are very similar in both the H-alpha and Ca II K time series. Line-of-sight H-alpha velocities are red-shifted with values up to 17 km/s. The high spatial and temporal resolution of the observations have allowed us to detect velocities significantly higher than those found in earlier studies. Flare bursts with a periodicity of approximately 60 s are also detected. These bursts are similar to the quasi-periodic oscillations observed at hard X-ray and radio wavelength data. Some of the highest velocities detected in the solar atmosphere are presented. Line-of-sight velocity maps show considerable mixing of both the magnitude and direction of velocities along the flare path. A change in direction of the velocities at the flare kernel has also been detected which may be a signature of chromospheric evaporation.Comment: Accepted for publication in Astronomy and Astrophysics, 5 figure

Oxidation of benzoin catalyzed by oxovanadium (IV) schiff base complexes

BACKGROUND: The oxidative transformation of benzoin to benzil has been accomplished by the use of a wide variety of reagents or catalysts and different reaction procedures. The conventional oxidizing agents yielded mainly benzaldehyde or/and benzoic acid and only a trace amount of benzil. The limits of practical utilization of these reagents involves the use of stoichiometric amounts of corrosive acids or toxic metallic reagents, which in turn produce undesirable waste materials and required high reaction temperatures. In recent years, vanadium complexes have attracted much attention for their potential utility as catalysts for various types of reactions. RESULTS: Active and selective catalytic systems of new unsymmetrical oxovanadium(IV) Schiff base complexes for the oxidation of benzoin is reported. The Schiff base ligands are derived between 2-aminoethanol and 2-hydroxy-1- naphthaldehyde (H2L1) or 3-ethoxy salicylaldehyde (H2L3); and 2-aminophenol and 3-ethoxysalicylaldehyde (H2L2) or 2-hydroxy-1-naphthaldehyde (H2L4). The unsymmetrical Schiff bases behave as tridentate dibasic ONO donor ligands. Reaction of these Schiff base ligands with oxovanadyl sulphate afforded the mononuclear oxovanadium(IV) complexes (VIVOLx.H2O), which are characterized by various physico-chemical techniques. The catalytic oxidation activities of these complexes for benzoin were evaluated using H2O2 as an oxidant. The best reaction conditions are obtained by considering the effect of solvent, reaction time and temperature. Under the optimized reaction conditions, VOL4 catalyst showed high conversion (>99%) with excellent selectivity to benzil (~100%) in a shorter reaction time compared to the other catalysts considered. CONCLUSION: Four tridentate ONO type Schiff base ligands were synthesized. Complexation of these ligands with vanadyl(IV) sulphate leads to the formation of new oxovanadium(IV) complexes of type VIVOL.H2O. Elemental analyses and spectral data of the free ligands and their oxovanadium(IV) complexes were found to be in good agreement with their structures, indicating high purity of all the compounds. Oxovanadium complexes were screened for the oxidation of benzoin to benzil using H2O2 as oxidant. The effect of time, solvent and temperature were optimized to obtain maximum yield. The catalytic activity results demonstrate that these catalytic systems are both highly active and selective for the oxidation of benzoin under mild reaction conditions.Web of Scienc

A combined model reduction algorithm for controlled biochemical systems

Background: Systems Biology continues to produce increasingly large models of complex biochemical reaction networks. In applications requiring, for example, parameter estimation, the use of agent-based modelling approaches, or real-time simulation, this growing model complexity can present a significant hurdle. Often, however, not all portions of a model are of equal interest in a given setting. In such situations methods of model reduction offer one possible approach for addressing the issue of complexity by seeking to eliminate those portions of a pathway that can be shown to have the least effect upon the properties of interest. Methods: In this paper a model reduction algorithm bringing together the complementary aspects of proper lumping and empirical balanced truncation is presented. Additional contributions include the development of a criterion for the selection of state-variable elimination via conservation analysis and use of an ‘averaged’ lumping inverse. This combined algorithm is highly automatable and of particular applicability in the context of ‘controlled’ biochemical networks. Results: The algorithm is demonstrated here via application to two examples; an 11 dimensional model of bacterial chemotaxis in Escherichia coli and a 99 dimensional model of extracellular regulatory kinase activation (ERK) mediated via the epidermal growth factor (EGF) and nerve growth factor (NGF) receptor pathways. In the case of the chemotaxis model the algorithm was able to reduce the model to 2 state-variables producing a maximal relative error between the dynamics of the original and reduced models of only 2.8% whilst yielding a 26 fold speed up in simulation time. For the ERK activation model the algorithm was able to reduce the system to 7 state-variables, incurring a maximal relative error of 4.8%, and producing an approximately 10 fold speed up in the rate of simulation. Indices of controllability and observability are additionally developed and demonstrated throughout the paper. These provide insight into the relative importance of individual reactants in mediating a biochemical system’s input-output response even for highly complex networks. Conclusions: Through application, this paper demonstrates that combined model reduction methods can produce a significant simplification of complex Systems Biology models whilst retaining a high degree of predictive accuracy. In particular, it is shown that by combining the methods of proper lumping and empirical balanced truncation it is often possible to produce more accurate reductions than can be obtained by the use of either method in isolation

Counter-current chromatography for the separation of terpenoids: A comprehensive review with respect to the solvent systems employed

Copyright @ 2014 The Authors.This article is distributed under the terms of the Creative Commons Attribution License which permits any use, distribution, and reproduction in any medium, provided the original author(s) and the source are credited.Natural products extracts are commonly highly complex mixtures of active compounds and consequently their purification becomes a particularly challenging task. The development of a purification protocol to extract a single active component from the many hundreds that are often present in the mixture is something that can take months or even years to achieve, thus it is important for the natural product chemist to have, at their disposal, a broad range of diverse purification techniques. Counter-current chromatography (CCC) is one such separation technique utilising two immiscible phases, one as the stationary phase (retained in a spinning coil by centrifugal forces) and the second as the mobile phase. The method benefits from a number of advantages when compared with the more traditional liquid-solid separation methods, such as no irreversible adsorption, total recovery of the injected sample, minimal tailing of peaks, low risk of sample denaturation, the ability to accept particulates, and a low solvent consumption. The selection of an appropriate two-phase solvent system is critical to the running of CCC since this is both the mobile and the stationary phase of the system. However, this is also by far the most time consuming aspect of the technique and the one that most inhibits its general take-up. In recent years, numerous natural product purifications have been published using CCC from almost every country across the globe. Many of these papers are devoted to terpenoids-one of the most diverse groups. Naturally occurring terpenoids provide opportunities to discover new drugs but many of them are available at very low levels in nature and a huge number of them still remain unexplored. The collective knowledge on performing successful CCC separations of terpenoids has been gathered and reviewed by the authors, in order to create a comprehensive document that will be of great assistance in performing future purifications. © 2014 The Author(s)

Food Choice Motives among the Students of a Dental Institution in Mysore City, India

Background: In pursuit of a more gholistich dentistry and an increasing focus on promoting oral health, dental students are increasingly being trained to take a more active part in health promotion and education. In particular, this incorporates an emphasis on diet and educating people to eat in more healthy ways.Aim: This paper works from the premise that if dental students are toengage in oral health promotion, they will do so more effectively if they have first explored their own food choice motivations. Subjects and Methods: A descriptive, cross.sectional questionnaire study. The food choice questionnaire (FCQ) was distributed to a comparative  group of 1st and 5th year dental students in timetabled lecture slots. The FCQ is a previously validated measure designed to assess ten main factors relevant to peoplesh food choices. The data was analyzed using SPSS version 18.0 (Chicago, IL, USA) using descriptive statistics and  independent sample t-test.Results: Nearly 77% (122/159) students responded. Findings were  analyzed using independent sample t-test. Results indicated statistically significant differences in terms of food choice motivations between male and female students of 1st and 5th year.Conclusion: Awareness and an understanding of the differences in  motivational factors affecting food choice between dental students is important as they are increasingly taught to play an active role in oral health promotion. Keywords: Africa, Food, Oral healt

Highly c-axis oriented growth of GaN film on sapphire (0001) by laser molecular beam epitaxy using HVPE grown GaN bulk target

Growth temperature dependant surface morphology and crystalline properties of the epitaxial GaN layers grown on pre-nitridated sapphire (0001) substrates by laser molecular beam epitaxy (LMBE) were investigated in the range of 500-750 degrees C. The grown GaN films were characterized using high resolution x-ray diffraction, atomic force microscopy (AFM), micro-Raman spectroscopy, and secondary ion mass spectroscopy (SIMS). The x-ray rocking curve full width at a half maximum (FWHM) value for (0002) reflection dramatically decreased from 1582 arc sec to 153 arc sec when the growth temperature was increased from 500 degrees C to 600 degrees C and the value further decreased with increase of growth temperature up to 720 degrees C. A highly c-axis oriented GaN epitaxial film was obtained at 720 degrees C with a (0002) plane rocking curve FWHM value as low as 102 arc sec. From AFM studies, it is observed that the GaN grain size also increased with increasing growth temperature and flat, large lateral grains of size 200-300 nm was obtained for the film grown at 720 degrees C. The micro-Raman spectroscopy studies also exhibited the high-quality wurtzite nature of GaN film grown on sapphire at 720 degrees C. The SIMS measurements revealed a non-traceable amount of background oxygen impurity in the grown GaN films. The results show that the growth temperature strongly influences the surface morphology and crystalline quality of the epitaxial GaN films on sapphire grown by LMBE

Positive and Negative Regulation of Gli Activity by Kif7 in the Zebrafish Embryo

Loss of function mutations of Kif7, the vertebrate orthologue of the Drosophila Hh pathway component Costal2, cause defects in the limbs and neural tubes of mice, attributable to ectopic expression of Hh target genes. While this implies a functional conservation of Cos2 and Kif7 between flies and vertebrates, the association of Kif7 with the primary cilium, an organelle absent from most Drosophila cells, suggests their mechanisms of action may have diverged. Here, using mutant alleles induced by Zinc Finger Nuclease-mediated targeted mutagenesis, we show that in zebrafish, Kif7 acts principally to suppress the activity of the Gli1 transcription factor. Notably, we find that endogenous Kif7 protein accumulates not only in the primary cilium, as previously observed in mammalian cells, but also in cytoplasmic puncta that disperse in response to Hh pathway activation. Moreover, we show that Drosophila Costal2 can substitute for Kif7, suggesting a conserved mode of action of the two proteins. We show that Kif7 interacts with both Gli1 and Gli2a and suggest that it functions to sequester Gli proteins in the cytoplasm, in a manner analogous to the regulation of Ci by Cos2 in Drosophila. We also show that zebrafish Kif7 potentiates Gli2a activity by promoting its dissociation from the Suppressor of Fused (Sufu) protein and present evidence that it mediates a Smo dependent modification of the full length form of Gli2a. Surprisingly, the function of Kif7 in the zebrafish embryo appears restricted principally to mesodermal derivatives, its inactivation having little effect on neural tube patterning, even when Sufu protein levels are depleted. Remarkably, zebrafish lacking all Kif7 function are viable, in contrast to the peri-natal lethality of mouse kif7 mutants but similar to some Acrocallosal or Joubert syndrome patients who are homozygous for loss of function KIF7 alleles