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https://www.readbyqxmd.com/read/27894968/crystallographic-structure-intermolecular-packing-energetics-crystal-morphology-and-surface-chemistry-of-salmeterol-xinafoate-form-i
#1
Alexandru A Moldovan, Ian Rosbottom, Vasuki Ramachandran, Christopher M Pask, Oboroghene Olomukhoro, Kevin J Roberts
Single crystals of salmeterol xinafoate (form I), prepared from slow cooled supersaturated propan-2-ol solutions, crystallise in a triclinic P‾1 symmetry with two closely related independent salt pairs within the asymmetric unit, with an approximately double unit cell volume compared to the previously published crystal structure(1). Synthonic analysis of the bulk intermolecular packing confirms the similarity in packing energetics between the two salt pairs. The strongest synthons, as expected, are dominated by coulombic interactions...
November 25, 2016: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/27884327/inhibition-of-c-jun-n-terminal-kinase-signaling-suppresses-skin-flap-apoptosis-in-a-rat-ischemia-and-or-reperfusion-model
#2
Ming Bai, Yifang Liu, Dechang Yin, Mingzi Zhang, Youbin Wang, Xuemei Ma, Yunqi Liu, Pengxiang Zhao
BACKGROUND: The goals of this study were to validate the role of c-Jun N-terminal kinase (JNK) activation in skin flap apoptosis in a rat model of abdomen skin ischemia and/or reperfusion (IR) and to compare the protective effect of SP600125 and hydrogen-rich saline in skin IR injury. METHODS: Male Sprague-Dawley rats were divided into five groups: one sham surgery group and four surgery groups. Before undergoing 3 h of IR management, the surgery groups were treated with normal saline (IR), dimethyl sulfoxide, SP600125 (SP), and hydrogen-rich saline (H)...
December 2016: Journal of Surgical Research
https://www.readbyqxmd.com/read/27802034/structural-studies-of-perfluoroaryldiselenadiazolyl-radicals-insights-into-dithiadiazolyl-chemistry
#3
Rebecca L Melen, Robert J Less, Christopher M Pask, Jeremy M Rawson
The synthesis and structural characterization of a series of perfluoroaryldiselenadiazolyls [DSeDA; p-XC6F4CNSeSeN (X = F, Cl, Br, CF3, NO2, and CN for 2a-2f, respectively)] are described. Concentration-dependent solution UV/vis measurements on 2a follow the Beer-Lambert law and the transitions assigned through time-dependent density functional theory (TD-DFT) studies, indicating little propensity for dimerization in solution (10(-3)-10(-4) M). Solution electron paramagnetic resonance (EPR) spectra reveal that these radicals exhibit a broad featureless singlet around g = 2...
November 1, 2016: Inorganic Chemistry
https://www.readbyqxmd.com/read/27782453/chebyshev-polynomial-filtered-subspace-iteration-in-the-discontinuous-galerkin-method-for-large-scale-electronic-structure-calculations
#4
Amartya S Banerjee, Lin Lin, Wei Hu, Chao Yang, John E Pask
The Discontinuous Galerkin (DG) electronic structure method employs an adaptive local basis (ALB) set to solve the Kohn-Sham equations of density functional theory in a discontinuous Galerkin framework. The adaptive local basis is generated on-the-fly to capture the local material physics and can systematically attain chemical accuracy with only a few tens of degrees of freedom per atom. A central issue for large-scale calculations, however, is the computation of the electron density (and subsequently, ground state properties) from the discretized Hamiltonian in an efficient and scalable manner...
October 21, 2016: Journal of Chemical Physics
https://www.readbyqxmd.com/read/27661449/pask-integrates-hormonal-signaling-with-histone-modification-via-wdr5-phosphorylation-to-drive-myogenesis
#5
Chintan K Kikani, Xiaoying Wu, Litty Paul, Hana Sabic, Zuolian Shen, Arvind Shakya, Alexandra Keefe, Claudio Villanueva, Gabrielle Kardon, Barbara Graves, Dean Tantin, Jared Rutter
PAS domain containing protein kinase (Pask) is an evolutionarily conserved protein kinase implicated in energy homeostasis and metabolic regulation across eukaryotic species. We now describe an unexpected role of Pask in promoting the differentiation of myogenic progenitor cells, embryonic stem cells and adipogenic progenitor cells. This function of Pask is dependent upon its ability to phosphorylate Wdr5, a member of several protein complexes including those that catalyze histone H3 Lysine 4 trimethylation (H3K4me3) during transcriptional activation...
2016: ELife
https://www.readbyqxmd.com/read/27628410/tunable-terahertz-generation-in-the-picosecond-regime-from-the-stimulated-polariton-scattering-in-a-linbo-sub-3-sub-crystal
#6
Aravindan M Warrier, Ran Li, Jipeng Lin, Andrew J Lee, Helen M Pask, David J Spence
We demonstrate narrowband tunable terahertz generation from a picosecond LiNbO<sub>3</sub> polariton laser, pumped by a CW mode-locked Nd:YVO<sub>4</sub> picosecond laser. We generated up to 5.4 μW of terahertz output in untuned mode. We tuned the terahertz output, using etalons in the cavity, from 0.51 to 2.12 THz. Terahertz output powers of 3.7 μW and 2.4 μW were achieved at terahertz frequencies of 1.6 THz and 0.9 THz, respectively.
September 15, 2016: Optics Letters
https://www.readbyqxmd.com/read/27441848/chelating-n-heterocyclic-carbene-carboranes-offer-flexible-ligand-coordination-to-ir-iii-rh-iii-and-ru-ii-effect-of-ligand-cyclometallation-in-catalytic-transfer-hydrogenation
#7
Jordan Holmes, Christopher M Pask, Charlotte E Willans
Imidazolium salts linked by an ethyl tether to closo-dicarbadodecaboranes were reacted with [IrCp*Cl2]2, [RhCp*Cl2]2 or [Ru(p-cymene)Cl2]2 in the presence of Ag2O to prepare complexes of the type [MCp*(NHC)Cl2] (M = Ir, Rh; NHC = N-heterocyclic carbene) or [Ru(p-cymene)(NHC)Cl2]. When the NHC contained an N-(t)Bu substituent, C-H activation of the (t)Bu and subsequent alkyl coordination was observed at Ir. Coordination of the closo-dicarbadodecaborane moiety to Ir was possible to give 7-membered metallacycles, coordinated through the carbenic carbon of the NHC and either a carbon atom or a boron atom of the carborane...
October 12, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/27418509/has-land-use-pushed-terrestrial-biodiversity-beyond-the-planetary-boundary-a-global-assessment
#8
Tim Newbold, Lawrence N Hudson, Andrew P Arnell, Sara Contu, Adriana De Palma, Simon Ferrier, Samantha L L Hill, Andrew J Hoskins, Igor Lysenko, Helen R P Phillips, Victoria J Burton, Charlotte W T Chng, Susan Emerson, Di Gao, Gwilym Pask-Hale, Jon Hutton, Martin Jung, Katia Sanchez-Ortiz, Benno I Simmons, Sarah Whitmee, Hanbin Zhang, Jörn P W Scharlemann, Andy Purvis
Land use and related pressures have reduced local terrestrial biodiversity, but it is unclear how the magnitude of change relates to the recently proposed planetary boundary ("safe limit"). We estimate that land use and related pressures have already reduced local biodiversity intactness--the average proportion of natural biodiversity remaining in local ecosystems--beyond its recently proposed planetary boundary across 58.1% of the world's land surface, where 71.4% of the human population live. Biodiversity intactness within most biomes (especially grassland biomes), most biodiversity hotspots, and even some wilderness areas is inferred to be beyond the boundary...
July 15, 2016: Science
https://www.readbyqxmd.com/read/27417660/cytotoxic-hydrogen-bridged-ruthenium-quinaldamide-complexes-showing-induced-cancer-cell-death-by-apoptosis
#9
Rianne M Lord, Simon J Allison, Karen Rafferty, Laura Ghandhi, Christopher M Pask, Patrick C McGowan
This report presents the first known p-cymene ruthenium quinaldamide complexes which are stabilised by a hydrogen-bridging atom, [{(p-cym)Ru(II)X(N,N)}{H(+)}{(N,N)XRu(II)(p-cym)}][PF6] (N,N = functionalised quinaldamide and X = Cl or Br). These complexes are formed by a reaction of [p-cymRu(μ-X)2]2 with a functionalised quinaldamide ligand. When filtered over NH4PF6, and under aerobic conditions the equilibrium of NH4PF6 ⇔ NH3 + HPF6 enables incorporation of HPF6 and the stabilisation of two monomeric ruthenium complexes by a bridging H(+), which are counter-balanced by a PF6 counterion...
August 16, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/27409850/stimulated-polariton-scattering-in-an-intracavity-rbtiopo-sub-4-sub-crystal-generating-frequency-tunable-thz-output
#10
Tiago A Ortega, Helen M Pask, David J Spence, Andrew J Lee
A high power, frequency-tunable THz source based on intracavity stimulated polariton scattering (SPS) in RbTiOPO<sub>4</sub> (RTP) is demonstrated for the first time. Frequency tunable THz output was obtained from 3.10 to 4.15 THz, with a gap at 3.17 to 3.49 THz, arising from the 104 cm<sup>-1</sup> A<sub>1</sub> mode in RTP. A maximum average output power of 16.2 µW was detected at 3.8 THz. This is the highest average output power ever reported for an intracavity polariton laser...
May 16, 2016: Optics Express
https://www.readbyqxmd.com/read/27338626/cell-type-specific-deletion-in-mice-reveals-roles-for-pas-kinase-in-insulin-and-glucagon-production
#11
Francesca Semplici, Angeles Mondragon, Benedict Macintyre, Katja Madeyski-Bengston, Anette Persson-Kry, Sara Barr, Anna Ramne, Anna Marley, James McGinty, Paul French, Helen Soedling, Ryohsuke Yokosuka, Julien Gaitan, Jochen Lang, Stephanie Migrenne-Li, Erwann Philippe, Pedro L Herrera, Christophe Magnan, Gabriela da Silva Xavier, Guy A Rutter
AIMS/HYPOTHESIS: Per-Arnt-Sim kinase (PASK) is a nutrient-regulated domain-containing protein kinase previously implicated in the control of insulin gene expression and glucagon secretion. Here, we explore the roles of PASK in the control of islet hormone release, by generating mice with selective deletion of the Pask gene in pancreatic beta or alpha cells. METHODS: Floxed alleles of Pask were produced by homologous recombination and animals bred with mice bearing beta (Ins1 (Cre); PaskBKO) or alpha (Ppg (Cre) [also known as Gcg]; PaskAKO) cell-selective Cre recombinase alleles...
September 2016: Diabetologia
https://www.readbyqxmd.com/read/27318418/attitudes-towards-antenatal-vaccination-group-b-streptococcus-and-participation-in-clinical-trials-insights-from-focus-groups-and-interviews-of-parents-and-healthcare-professionals
#12
Fiona McQuaid, Sophie Pask, Louise Locock, Elizabeth Davis, Zoe Stevens, Jane Plumb, Matthew D Snape
INTRODUCTION: Antenatal vaccination has become a part of routine care during pregnancy in the UK and worldwide, leading to improvements in health for both pregnant women and their infants. However, uptake remains sub-optimal. Other antenatal vaccines targeting major neonatal pathogens, such as Group B streptococcus (GBS), the commonest cause of sepsis and meningitis in the neonatal period, are undergoing clinical trials but more information is needed on how to improve acceptance of such vaccines...
July 25, 2016: Vaccine
https://www.readbyqxmd.com/read/27098432/tethered-n-heterocyclic-carbene-carboranes-unique-ligands-that-exhibit-unprecedented-and-versatile-coordination-modes-at-rhodium
#13
Jordan Holmes, Christopher M Pask, Mark A Fox, Charlotte E Willans
Four brand new hybrid ligands combining an N-heterocyclic carbene tethered with two isomeric nido-dicarbaundecaborane dianions, a neutral closo-dicarbadodecaborane or a closo-dicarbadodecaborane anion are described. Versatile coordination of the ligands to Rh(I) is demonstrated, in which both NHC and carborane moieties covalently coordinate a metal centre.
May 11, 2016: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/27064119/optimized-expression-and-purification-of-biophysical-quantities-of-lac-repressor-and-lac-repressor-regulatory-domain
#14
Matthew A Stetz, Marie V Carter, A Joshua Wand
The recombinant production of Lac repressor (LacI) in Escherichia coli is complicated by its ubiquitous use as a regulatory element in commercially-available expression vectors and host strains. While LacI-regulated expression systems are often used to produce recombinant LacI, the product can be heterogeneous and unsuitable for some studies. Alternative approaches include using unregulated vectors which typically suffer from low yield or vectors with promoters induced by metabolically active sugars which can dilute isotope labels necessary for certain biophysical studies...
July 2016: Protein Expression and Purification
https://www.readbyqxmd.com/read/27052461/large-scale-production-of-megakaryocytes-from-human-pluripotent-stem-cells-by-chemically-defined-forward-programming
#15
Thomas Moreau, Amanda L Evans, Louella Vasquez, Marloes R Tijssen, Ying Yan, Matthew W Trotter, Daniel Howard, Maria Colzani, Meera Arumugam, Wing Han Wu, Amanda Dalby, Riina Lampela, Guenaelle Bouet, Catherine M Hobbs, Dean C Pask, Holly Payne, Tatyana Ponomaryov, Alexander Brill, Nicole Soranzo, Willem H Ouwehand, Roger A Pedersen, Cedric Ghevaert
The production of megakaryocytes (MKs)--the precursors of blood platelets--from human pluripotent stem cells (hPSCs) offers exciting clinical opportunities for transfusion medicine. Here we describe an original approach for the large-scale generation of MKs in chemically defined conditions using a forward programming strategy relying on the concurrent exogenous expression of three transcription factors: GATA1, FLI1 and TAL1. The forward programmed MKs proliferate and differentiate in culture for several months with MK purity over 90% reaching up to 2 × 10(5) mature MKs per input hPSC...
2016: Nature Communications
https://www.readbyqxmd.com/read/26862182/the-new-world-of-inorganic-polyphosphates
#16
REVIEW
Cristina Azevedo, Adolfo Saiardi
Post-translational modifications (PTMs) add regulatory features to proteins that help establish the complex functional networks that make up higher organisms. Advances in analytical detection methods have led to the identification of more than 200 types of PTMs. However, some modifications are unstable under the present detection methods, anticipating the existence of further modifications and a much more complex map of PTMs. An example is the recently discovered protein modification polyphosphorylation. Polyphosphorylation is mediated by inorganic polyphosphate (polyP) and represents the covalent attachment of this linear polymer of orthophosphate to lysine residues in target proteins...
February 2016: Biochemical Society Transactions
https://www.readbyqxmd.com/read/26806635/the-x-factor-x-chromosome-dosage-compensation-in-the-evolutionarily-divergent-monotremes-and-marsupials
#17
REVIEW
Deanne J Whitworth, Andrew J Pask
Marsupials and monotremes represent evolutionarily divergent lineages from the majority of extant mammals which are eutherian, or placental, mammals. Monotremes possess multiple X and Y chromosomes that appear to have arisen independently of eutherian and marsupial sex chromosomes. Dosage compensation of X-linked genes occurs in monotremes on a gene-by-gene basis, rather than through chromosome-wide silencing, as is the case in eutherians and marsupials. Specifically, studies in the platypus have shown that for any given X-linked gene, a specific proportion of nuclei within a cell population will silence one locus, with the percentage of cells undergoing inactivation at that locus being highly gene-specific...
August 2016: Seminars in Cell & Developmental Biology
https://www.readbyqxmd.com/read/26698976/optical-remote-sensing-of-water-temperature-using-raman-spectroscopy
#18
C P Artlett, H M Pask
A detailed investigation into the use of Raman spectroscopy for determining water temperature is presented. The temperature dependence of unpolarized Raman spectra is evaluated numerically, and methods based on linear regression are used to determine the accuracy with which temperature can be obtained from Raman spectra. These methods were also used to inform the design and predict the performance of a two-channel Raman spectrometer, which can predict the temperature of mains supply water to an accuracy of ± 0...
December 14, 2015: Optics Express
https://www.readbyqxmd.com/read/26659484/the-reproductive-system
#19
REVIEW
Andrew Pask
Correct sexual development is arguably the most important trait in an organism's life history since it is directly related to its genetic fitness. The developing gonad houses the germ cells, the only legacy we pass on to subsequent generations. Given the pivotal importance of correct reproductive function, it is confounding that disorders of sex development (DSDs) are among the most common congenital abnormalities in humans (Lee et al. J Pediatr Urol 8(6):611-615, 2012). Urogenital development is a highly complex process involving coordinated interactions between molecular and hormonal pathways in a tightly regulated order...
2016: Advances in Experimental Medicine and Biology
https://www.readbyqxmd.com/read/26613581/the-genetic-and-environmental-factors-underlying-hypospadias
#20
REVIEW
Aurore Bouty, Katie L Ayers, Andrew Pask, Yves Heloury, Andrew H Sinclair
Hypospadias results from a failure of urethral closure in the male phallus and affects 1 in 200-300 boys. It is thought to be due to a combination of genetic and environmental factors. The development of the penis progresses in 2 stages: an initial hormone-independent phase and a secondary hormone-dependent phase. Here, we review the molecular pathways that contribute to each of these stages, drawing on studies from both human and mouse models. Hypospadias can occur when normal development of the phallus is disrupted, and we provide evidence that mutations in genes underlying this developmental process are causative...
2015: Sexual Development: Genetics, Molecular Biology, Evolution, Endocrinology, Embryology, and Pathology of Sex Determination and Differentiation
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