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https://www.readbyqxmd.com/read/27913358/conformational-sampling-of-a-biomolecular-rugged-energy-landscape
#1
Jakub Rydzewski, Rafal Jakubowski, Giuseppe Nicosia, Wieslaw Nowak
The protein structure refinement using conformational sampling is important in hitherto protein studies. In this paper we examined the protein structure refinement by means of potential energy minimization using immune computing as a method of sampling conformations. The method was tested on the x-ray structure and 30 decoys of the mutant of [Leu]Enkephalin, a paradigmatic example of the biomolecular multiple-minima problem. In order to score the refined conformations, we used a standard potential energy function with the OPLSAA force field...
December 1, 2016: IEEE/ACM Transactions on Computational Biology and Bioinformatics
https://www.readbyqxmd.com/read/27911124/the-impact-of-interferon-alpha2-on-hla-genes-in-patients-with-polycythemia-vera-and-related-neoplasms
#2
Vibe Skov, Caroline Hasselbalch Riley, Mads Thomassen, Lasse Kjær, Thomas Stauffer Larsen, Ole Weis Bjerrum, Torben A Kruse, Hans Carl Hasselbalch
Gene expression profiling in Philadelphia-negative chronic myeloproliferative neoplasms (MPNs) have unraveled significant deregulation of several immune and inflammation genes of potential importance for clonal evolution. Other mechanisms might be downregulation of major histocompatibility class I and II genes used by tumor cells to escape antitumor T-cell-mediated immune responses. Several genes encoding human leukocyte antigen (HLA) class I and II molecules have been shown to be significantly downregulated...
December 2, 2016: Leukemia & Lymphoma
https://www.readbyqxmd.com/read/27910569/l-shell-spectroscopic-diagnostics-of-radiation-from-krypton-hed-plasma-sources
#3
E E Petkov, A S Safronova, V L Kantsyrev, V V Shlyaptseva, R S Rawat, K S Tan, P Beiersdorfer, N Hell, G V Brown
X-ray spectroscopy is a useful tool for diagnosing plasma sources due to its non-invasive nature. One such source is the dense plasma focus (DPF). Recent interest has developed to demonstrate its potential application as a soft x-ray source. We present the first spectroscopic studies of krypton high energy density plasmas produced on a 3 kJ DPF device in Singapore. In order to diagnose spectral features, and to obtain a more comprehensive understanding of plasma parameters, a new non-local thermodynamic equilibrium L-shell kinetic model for krypton was developed...
November 2016: Review of Scientific Instruments
https://www.readbyqxmd.com/read/27910567/a-high-resolution-ir-visible-imaging-system-for-the-w7-x-limiter
#4
G A Wurden, L A Stephey, C Biedermann, M W Jakubowski, J P Dunn, M Gamradt
A high-resolution imaging system, consisting of megapixel mid-IR and visible cameras along the same line of sight, has been prepared for the new W7-X stellarator and was operated during Operational Period 1.1 to view one of the five inboard graphite limiters. The radial line of sight, through a large diameter (184 mm clear aperture) uncoated sapphire window, couples a direct viewing 1344 × 784 pixel FLIR SC8303HD camera. A germanium beam-splitter sends visible light to a 1024 × 1024 pixel Allied Vision Technologies Prosilica GX1050 color camera...
November 2016: Review of Scientific Instruments
https://www.readbyqxmd.com/read/27910422/measurements-of-laser-generated-soft-x-ray-emission-from-irradiated-gold-foils
#5
J S Davis, Y Frank, E Raicher, M Fraenkel, P A Keiter, S R Klein, R P Drake, D Shvarts
Soft x-ray emission from laser irradiated gold foils was measured at the Omega-60 laser system using the Dante photodiode array. The foils were heated with 2 kJ, 6 ns laser pulses and foil thicknesses were varied between 0.5, 1.0, and 2.0 μm. Initial Dante analysis indicates peak emission temperatures of roughly 100 eV and 80 eV for the 0.5 μm and 1.0 μm thick foils, respectively, with little measurable emission from the 2.0 μm foils.
November 2016: Review of Scientific Instruments
https://www.readbyqxmd.com/read/27908317/-sj%C3%A3-ldent-syndrom-som-differentialdiagnose-ved-markant-fregnedannelse
#6
Kristina Lings, Mathilde Faurholdt Lauridsen, Lars Kjærsgaard Hansen
No abstract text is available yet for this article.
November 21, 2016: Ugeskrift for Laeger
https://www.readbyqxmd.com/read/27906621/isolation-of-a-novel-protein-p12-from-adult-drosophila-melanogaster-that-inhibits-deoxyribonucleoside-and-protein-kinase-activities-and-activates-3-5-exonuclease-activity
#7
Louise Slot Christiansen, Gabriella van Zanten, Dvora Berenstein, Marianne Lauridsen, Søren Kjærulff, Leif Søndergaard, Birgitte Munch-Petersen
We have previously found that Drosophila melanogaster only has one deoxyribonucleoside kinase, Dm-dNK, however, capable to phosphorylate all four natural deoxyribonucleosides. Dm-dNK was originally isolated from an embryonic cell line. We wanted to study the expression of Dm-dNK during development from embryonic cells to adult flies and found declining Dm-dNK activity during development and no activity in adult flies. Surprisingly, the extract from adult flies exhibited a strong inhibitory effect on deoxyribonucloside kinase activity...
December 2016: Nucleosides, Nucleotides & Nucleic Acids
https://www.readbyqxmd.com/read/27903652/prepore-stability-controls-productive-folding-of-the-bam-independent-multimeric-outer-membrane-secretin-puld
#8
Ingrid Guilvout, Sébastien Brier, Mohamed Chami, Véronique Hourdel, Olivera Francetic, Anthony P Pugsley, Julia Chamot-Rooke, Gerard H M Huysmans
Members of a group of multimeric secretion pores that assemble independently of any known membrane-embedded insertase in Gram-negative bacteria fold into a prepore before membrane-insertion occurs. The mechanisms and the energetics that drive the folding of these proteins are poorly understood. Here, equilibrium unfolding and hydrogen/deuterium exchange monitored by mass spectrometry indicated that a loss of 4-5 kJ/mol/protomer in the N3-domain that is peripheral to the membrane-spanning C-domain in the dodecameric secretin PulD, the founding member of this class, prevents pore formation by destabilizing the prepore into a poorly structured dodecamer as visualized by electron microscopy...
November 30, 2016: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/27903520/visceral-adiposity-and-metabolic-syndrome-after-very-high-fat-and-low-fat-isocaloric-diets-a-randomized-controlled-trial
#9
Vivian L Veum, Johnny Laupsa-Borge, Øyvin Eng, Espen Rostrup, Terje H Larsen, Jan Erik Nordrehaug, Ottar K Nygård, Jørn V Sagen, Oddrun A Gudbrandsen, Simon N Dankel, Gunnar Mellgren
BACKGROUND: Different aspects of dietary pattern, including macronutrient and food profiles, may affect visceral fat mass and metabolic syndrome. OBJECTIVE: We hypothesized that consuming energy primarily from carbohydrate or fat in diets with similar food profiles would differentially affect the ability to reverse visceral adiposity and metabolic syndrome. DESIGN: Forty-six men (aged 30-50 y) with body mass index (in kg/m(2)) >29 and waist circumference >98 cm were randomly assigned to a very high-fat, low-carbohydrate (VHFLC; 73% of energy fat and 10% of energy carbohydrate) or low-fat, high-carbohydrate (LFHC; 30% of energy fat and 53% of energy carbohydrate) diet for 12 wk...
November 30, 2016: American Journal of Clinical Nutrition
https://www.readbyqxmd.com/read/27903076/the-potential-of-optimizing-prehospital-triage-of-patients-with-suspected-acute-myocardial-infarction-using-high-sensitivity-cardiac-troponin-t-and-copeptin
#10
Carsten Stengaard, Jacob T Sørensen, Søren A Ladefoged, Jens F Lassen, Martin B Rasmussnen, Claus Kjær Pedersen, Antoine Ayer, Hans Erik Bøtker, Christian J Terkelsen, Kristian Thygesen
PURPOSE: In patients with a suspected acute myocardial infarction (AMI), to evaluate the potential for early triage based on measurement of high-sensitivity cardiac troponin T (hs-cTnT) and copeptin in blood samples collected in the prehospital phase. MATERIALS AND METHODS: In this retrospective study, we measured hs-cTnT and copeptin in blood samples collected in the ambulance form 962 patients with suspected AMI. The diagnostic accuracy was estimated by receiver-operating characteristics curve area under the curve (AUC) for both biomarkers and a combined model...
December 1, 2016: Biomarkers: Biochemical Indicators of Exposure, Response, and Susceptibility to Chemicals
https://www.readbyqxmd.com/read/27901172/conformational-states-of-hamp-domains-interacting-with-sensory-rhodopsin-membrane-systems-an-integrated-all-atom-and-coarse-grained-molecular-dynamics-simulation-approach
#11
Bikash Ranjan Sahoo, Toshimichi Fujiwara
Understanding the downstream signaling mechanism of sensory rhodopsin and its cognate transducer complex (srII-htrII) has long been a challenge in the field of photoreceptor research. Here, an integration of all-atom and coarse-grained (CG) molecular dynamics (MD) simulations in different srII-htrII complex states is carried out. It is shown that the cytoplasmic four-helix HAMP dimer gives rise to a gear-box model interaction with discrete hydrophobic packing in Natronomonas pharaonis (Np). Structural analysis in all-atom and CG-MD reveals a stable conformational state in the physiological environment (323 K and 1...
November 30, 2016: Molecular BioSystems
https://www.readbyqxmd.com/read/27900769/influence-of-menstrual-phase-and-arid-vs-humid-heat-stress-on-autonomic-and-behavioural-thermoregulation-during-exercise-in-trained-but-unacclimated-women
#12
Tze-Huan Lei, Stephen R Stannard, Blake G Perry, Zachary J Schlader, James D Cotter, Toby Mündel
We studied thermoregulatory responses of ten well-trained (VO2 max, 57 (7) mL min(-1) kg(-1) ) eumenorrheic women exercising in dry and humid heat, across their menstrual cycle. They completed four trials, each of resting and cycling at fixed intensities (125 and 150 W), to assess autonomic regulation, then self-paced intensity (30-min work trial), to assess behavioural regulation. Trials were in early-follicular (EF) and mid-luteal (ML) phases in dry (DRY) and humid (HUM) heat matched for wet bulb globe temperature (WBGT, 27°C)...
November 29, 2016: Journal of Physiology
https://www.readbyqxmd.com/read/27898888/effects-of-level-of-brackish-water-on-feed-intake-digestion-heat-energy-and-blood-constituents-of-growing-boer-and-spanish-goat-wethers
#13
Y Tsukahara, R Puchala, T Sahlu, A L Goetsch
Twenty Boer (6.1 mo old and 21.3 kg) and 20 Spanish (6.6 mo old and 19.7 kg) goat wethers were used to determine effects of brackish water on feed intake, digestion, heat energy, and blood constituents. Brackish water had 6,900 mg/L total dissolved salts, 1,885 mg/L Na, 75 mg/L Mg, 1,854 mg/L chloride, 2,478 mg/L sulfate, and 9 mg/L boron. Water treatments were 100% tap water (control), 100% of a brackish water source (100-BR), 33% control and 67% brackish water (67-BR), and 67% control and 33% brackish water (33-BR)...
September 2016: Journal of Animal Science
https://www.readbyqxmd.com/read/27898672/lifestyle-advice-combined-with-personalized-estimates-of-genetic-or-phenotypic-risk-of-type-2-diabetes-and-objectively-measured-physical-activity-a-randomized-controlled-trial
#14
Job G Godino, Esther M F van Sluijs, Theresa M Marteau, Stephen Sutton, Stephen J Sharp, Simon J Griffin
BACKGROUND: Information about genetic and phenotypic risk of type 2 diabetes is now widely available and is being incorporated into disease prevention programs. Whether such information motivates behavior change or has adverse effects is uncertain. We examined the effect of communicating an estimate of genetic or phenotypic risk of type 2 diabetes in a parallel group, open, randomized controlled trial. METHODS AND FINDINGS: We recruited 569 healthy middle-aged adults from the Fenland Study, an ongoing population-based, observational study in the east of England (Cambridgeshire, UK)...
November 2016: PLoS Medicine
https://www.readbyqxmd.com/read/27898184/intrinsic-kinetics-for-dimethyl-ether-synthesis-from-plasma-activation-co2-hydrogenation-over-cu-fe-ce-hzsm-5
#15
Tongming Su, Xinhui Zhou, Zuzeng Qin, Hongbing Ji
The CO2 was activated in a plasma reactor followed by hydrogenation over the Cu-Fe-Ce/HZSM-5 catalyst, and the intrinsic kinetics of the plasma-catalytic process were studied. Compared with the CO2 hydrogenation using the Cu-Fe-Ce/HZSM-5 alone, the CO2 conversion and the dimethyl ether (DME) selectivity for the plasma-catalytic process were increased by 16.3%, and 10.1%, respectively, indicating the CO2 was activated by the plasma and promoted the CO2 hydrogenation. The intrinsic kinetics study shown that the activation energies of the methanol synthesis, the reverse water-gas shift reaction, and the methanol dehydration to DME were 149...
November 29, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/27896831/anomerization-reaction-of-bare-and-microhydrated-d-erythrose-via-explicitly-correlated-coupled-cluster-approach-two-water-molecules-are-optimal
#16
Marek Szczepaniak, Jerzy Moc
We present a comprehensive benchmark computational study which has explored a complete path of the anomerization reaction of bare d-erythrose involving a pair of the low-energy α- and β-furanose anomers, the former of which was observed spectroscopically (Cabezas et al., Chem. Commun. 2013, 49, 10826). We find that the ring opening of the α-anomer yields the most stable open-chain tautomer which step is followed by the rotational interconversion of the open-chain rotamers and final ring closing to form the β-anomer...
November 29, 2016: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/27896044/curricular-activities-and-change-in-determinants-of-fruit-and-vegetable-intake-among-adolescents-results-from-the-boost-intervention
#17
Thea Suldrup Jørgensen, Mette Rasmussen, Sanne Ellegaard Jørgensen, Annette Kjær Ersbøll, Trine Pagh Pedersen, Anne Kristine Aarestrup, Pernille Due, Rikke Krølner
Knowledge of the association between implementation of different intervention components and the determinants they are tailored to change may contribute to evaluating the effects and working mechanisms of multi-component interventions. This study examined 1) the effect of a Danish multi-component school-based intervention (2010 - 2011) on key determinants of adolescents' fruit and vegetable intake and 2) if dose of curricular activities was positively associated with change in these determinants. Using multi-level linear and logistic regression analyses stratified by gender and socioeconomic position, we analyzed survey data from the cluster-randomized Boost study targeting Danish 13-year-olds' fruit and vegetable intake...
March 2017: Preventive Medicine Reports
https://www.readbyqxmd.com/read/27892472/atomistic-characterization-of-the-active-site-solvation-dynamics-of-a-model-photocatalyst
#18
Tim B van Driel, Kasper S Kjær, Robert W Hartsock, Asmus O Dohn, Tobias Harlang, Matthieu Chollet, Morten Christensen, Wojciech Gawelda, Niels E Henriksen, Jong Goo Kim, Kristoffer Haldrup, Kyung Hwan Kim, Hyotcherl Ihee, Jeongho Kim, Henrik Lemke, Zheng Sun, Villy Sundström, Wenkai Zhang, Diling Zhu, Klaus B Møller, Martin M Nielsen, Kelly J Gaffney
The interactions between the reactive excited state of molecular photocatalysts and surrounding solvent dictate reaction mechanisms and pathways, but are not readily accessible to conventional optical spectroscopic techniques. Here we report an investigation of the structural and solvation dynamics following excitation of a model photocatalytic molecular system [Ir2(dimen)4](2+), where dimen is para-diisocyanomenthane. The time-dependent structural changes in this model photocatalyst, as well as the changes in the solvation shell structure, have been measured with ultrafast diffuse X-ray scattering and simulated with Born-Oppenheimer Molecular Dynamics...
November 28, 2016: Nature Communications
https://www.readbyqxmd.com/read/27891234/normative-values-for-musculoskeletal-and-neuromotor-fitness-in-apparently-healthy-norwegian-adults-and-the-association-with-obesity-a-cross-sectional-study
#19
Ingirid Geirsdatter Heald Kjær, Monica Klungland Torstveit, Elin Kolle, Bjørge Herman Hansen, Sigmund Alfred Anderssen
BACKGROUND: Up-to-date research on musculoskeletal- and neuromotor fitness (MSMF) is lacking. The aims of the present paper were to a) establish normative values of MSMF by gender and age, and b) to assess how much of the variance in MSMF can be explained by obesity in adults. METHODS: A random selection of 726 Norwegians (20-65 years) participated in a national cross-sectional study. Muscular endurance, muscular strength, explosive power, flexibility and balance were assessed in addition to waist circumference (WC)...
2016: BMC Sports Science, Medicine and Rehabilitation
https://www.readbyqxmd.com/read/27889809/reversal-of-type-2-diabetes-in-youth-who-adhere-to-a-very-low-energy-diet-a-pilot-study
#20
Megan L Gow, Louise A Baur, Nathan A Johnson, Chris T Cowell, Sarah P Garnett
AIMS/HYPOTHESIS: The aim of the study was to investigate whether a very-low-energy diet (VLED) is a feasible and acceptable treatment option for type 2 diabetes in children and adolescents, and whether adherence can lead to rapid weight loss, reversal of type 2 diabetes and reduced liver fat as seen in adult studies. METHODS: Eight participants with type 2 diabetes and obesity, aged 7-16 years, non-medicated (n = 1) or treated with metformin (n = 7) and in some cases insulin (n = 3), followed a VLED (<3360 kJ/day) for 8 weeks, then transitioned to a hypocaloric diet (∼6300 kJ/day) that they followed to 34 weeks...
November 26, 2016: Diabetologia
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