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https://www.readbyqxmd.com/read/28343066/calcium-triggers-reversal-of-calmodulin-on-nested-anti-parallel-sites-in-the-iq-motif-of-the-neuronal-voltage-dependent-sodium-channel-nav1-2
#1
Liam Hovey, C Andrew Fowler, Ryan Mahling, Zesen Lin, Mark Stephen Miller, Dagan C Marx, Jesse B Yoder, Elaine H Kim, Kristin M Tefft, Brett C Waite, Michael D Feldkamp, Liping Yu, Madeline A Shea
Several members of the voltage-gated sodium channel family are regulated by calmodulin (CaM) and ionic calcium. The neuronal voltage-gated sodium channel NaV1.2 contains binding sites for both apo (calcium-depleted) and calcium-saturated CaM. We have determined equilibrium dissociation constants for rat NaV1.2 IQ motif [IQRAYRRYLLK] binding to apo CaM (~3nM) and (Ca(2+))4-CaM (~85nM), showing that apo CaM binding is favored by 30-fold. For both apo and (Ca(2+))4-CaM, NMR demonstrated that NaV1.2 IQ motif peptide (NaV1...
March 9, 2017: Biophysical Chemistry
https://www.readbyqxmd.com/read/28342798/allele-frequencies-and-other-forensic-parameters-of-the-hid-ion-ampliseq%C3%A2-identity-panel-markers-in-basques-using-the-ion-torrent-pgm%C3%A2-platform
#2
O García, A Soto, I Yurrebaso
The HID-Ion AmpliSeq™ Identity Panel amplifies 90 autosomal SNPs and 34 Y- SNPs with massively parallel sequencing (MPS) using the Ion Torrent PGM™ platform. In the present study, 105 Basques were analyzed to assess this panel. All loci were in Hardy-Weinberg equilibrium and no association between them was detected. Forensic parameters were calculated as 5.74×10(-36) for combined match probability and 99.99998% for combined power of exclusion. In conclusion, the HID Identity panel and the use of this new MPS technology are very promising tools for paternity testing and human identification in routine casework in the forensic field...
March 8, 2017: Forensic Science International. Genetics
https://www.readbyqxmd.com/read/28340265/association-of-runx2-and-tnfsf11-genes-with-production-traits-in-a-paternal-broiler-line
#3
N V Grupioni, N B Stafuzza, A B Carvajal, A M G Ibelli, J O Peixoto, M C Ledur, D P Munari
Intense selection for production traits has improved the genetic gain of important economic traits. However, selection for performance and carcass traits has led to the onset of locomotors problems and decreasing bone strength in broilers. Thus, genes associated with bone integrity traits have become candidates for genetic studies in order to reduce the impact of bone disorders in broilers. This study investigated the association of the RUNX2 and TNFSF11 genes with 79 traits related to performance, carcass composition, organs, and bone integrity in a paternal broiler line...
March 22, 2017: Genetics and Molecular Research: GMR
https://www.readbyqxmd.com/read/28339633/osmotic-indices-and-kidney-concentrating-activity-population-based-data-on-correlates-and-prognostic-power
#4
Massimo Cirillo, Giancarlo Bilancio, Cinzia Lombardi, Pierpaolo Cavallo, Oscar Terradura Vagnarelli, Alberto Zanchetti, Martino Laurenzi
Background.: Research data are limited on indices of osmotic equilibrium and of kidney concentrating activity (KCA). This study investigated correlates and prognostic power of these indices in a sample of the general population. Methods.: Urine osmolality (U-osm), plasma osmolality (P-osm), plasma creatinine and other variables were measured by the Gubbio Study for the 1988-92 exam (baseline). Plasma creatinine and other variables were re-measured in the 2001-07 exam (follow-up)...
February 4, 2017: Nephrology, Dialysis, Transplantation
https://www.readbyqxmd.com/read/28338476/frank-kasper-sigma-phase-in-polybutadiene-poly-epsilon-caprolactone-diblock-copolymer-polybutadiene-blends
#5
Hideaki Takagi, Ryo Hashimoto, Noriyuki Igarashi, Shunji Kishimoto, Katsuhiro Yamamoto
Microphase-separated structures in a polybutadiene-poly(ε-caprolactone) diblock copolymer (PB-PCL)/polybutadiene homopolymer (PB) blend were investigated by small-angle X-ray scattering (SAXS). Non-equilibrium spherical micelles were observed at temperatures ranging between 60 and 100 °C. An SAXS profile with >60 scattering peaks was recorded at 140 °C. All the peak positions were in good agreement with theoretical Frank-Kasper  phase peak positions. Thus, these results indicate the formation of a Frank-Kasper  phase in the PB-PCL/PB blend at 140 °C...
March 24, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28338318/iron-ii-complexes-with-scorpiand-like-macrocyclic-polyamines-kinetico-mechanistic-aspects-of-complex-formation-and-oxidative-dehydrogenation-of-coordinated-amines
#6
M Paz Clares, Laura Acosta-Rueda, Carmen E Castillo, Salvador Blasco, Hermas R Jiménez, Enrique García-España, Manuel G Basallote
The Fe(II) coordination chemistry of a pyridinophane tren-derived scorpiand type ligand containing a pyridine ring in the pendant arm is explored by potentiometry, X-ray, NMR, and kinetics methods. Equilibrium studies in water show the formation of a stable [FeL](2+) complex that converts to monoprotonated and monohydroxylated species when the pH is changed. A [Fe(H-2L)](2+) complex containing an hexacoordinated dehydrogenated ligand has been isolated, and its crystal structure shows the formation of an imine bond involving the aliphatic nitrogen of the pendant arm...
March 24, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28338317/kinetics-and-mechanism-of-the-oxidation-of-thiourea-dioxide-by-iodine-in-a-slightly-acidic-medium
#7
Li Xu, László Valkai, Alena A Kuznetsova, Sergei V Makarov, Attila K Horváth
The thiourea dioxide (TDO)-iodine reaction was investigated spectrophotometrically monitoring the consumption of total amount of iodine at 468 nm, at T = 25.0 ± 0.1 °C, and at 0.5 M ionic strength in buffered slightly acidic medium. The nitrogen- and carbon-containing products were found to be ammonium ion and dissolved carbon dioxide, respectively, while from sulfur part sulfate ion was exclusively detected, when fresh TDO solution was used. The stoichiometry of the reaction was established as 2I2 + TDO + 4H2O → SO4(2-) + 2NH4(+) + 4I(-) + CO2 + 4H(+) indicating a strict 2:1 stoichiometric ratio...
March 24, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28338143/mastering-the-non-equilibrium-assembly-and-operation-of-molecular-machines
#8
Cristian Pezzato, Chuyang Cheng, J Fraser Stoddart, R Dean Astumian
In mechanically interlocked compounds, such as rotaxanes and catenanes, the molecules are held together by mechanical rather than chemical bonds. These compounds can be engineered to have several well-defined mechanical states by incorporating recognition sites between the different components. The rates of the transitions between the recognition sites can be controlled by introducing steric "speed bumps" or electrostatically switchable gates. A mechanism for the absorption of energy can also be included by adding photoactive, catalytically active, or redox-active recognition sites, or even charges and dipoles...
March 24, 2017: Chemical Society Reviews
https://www.readbyqxmd.com/read/28338093/-210-pb-226-ra-disequilibria-in-young-gas-laden-magmas
#9
Mark Reagan, Simon Turner, Heather Handley, Michael Turner, Christoph Beier, John Caulfield, David Peate
We present new (238)U-(230)Th-(226)Ra-(210)Pb and supporting data for young lavas from southwest Pacific island arcs, Eyjafjallajökull, Iceland, and Terceira, Azores. The arc lavas have significant (238)U and (226)Ra excesses, whereas those from the ocean islands have moderate (230)Th and (226)Ra excesses, reflecting mantle melting in the presence of a water-rich fluid in the former and mantle melting by decompression in the latter. Differentiation to erupted compositions in both settings appears to have taken no longer than a few millennia...
March 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28338014/entropic-stabilization-of-a-deubiquitinase-provides-conformational-plasticity-and-slow-unfolding-kinetics-beneficial-for-functioning-on-the-proteasome
#10
Yun-Tzai Cloud Lee, Chia-Yun Chang, Szu-Yu Chen, Yun-Ru Pan, Meng-Ru Ho, Shang-Te Danny Hsu
Human ubiquitin C-terminal hydrolyase UCH-L5 is a topologically knotted deubiquitinase that is activated upon binding to the proteasome subunit Rpn13. The length of its intrinsically disordered cross-over loop is essential for substrate recognition. Here, we showed that the catalytic domain of UCH-L5 exhibits higher equilibrium folding stability with an unfolding rate on the scale of 10(-8) s(-1), over four orders of magnitudes slower than its paralogs, namely UCH-L1 and -L3, which have shorter cross-over loops...
March 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28337629/an-innovative-application-of-extended-exergy-analysis-into-an-industrial-park
#11
Yupeng Fan, Qi Qiao, Lin Fang
Exergy is a thermodynamic term used to account all possible useful work theoretically throughout one process when it is brought into equilibrium with its environment. It however cannot directly incorporate non-physical flows, which can be accounted by extensions of the exergy consumption method. Extended exergy, which builds a bridge between thermal and anthropic dimensions, can both measure resource consumption and economic system. In this study, we applied extended exergy analysis to analyze an industrial park, including material consumption, social investment, and environmental influence...
March 23, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28337497/dimerization-and-conformation-related-free-energy-landscapes-of-dye-tagged-amyloid-%C3%AE-12-28-linked-to-fret-experiments
#12
Alexander Kulesza, Steven Daly, Philippe Dugourd
We have investigated the free energy landscape of Aβ-peptide dimer models in connection to gas-phase FRET experiments. We use a FRET-related distance coordinate and one conformation-related coordinate per monomer for accelerated structural exploration with well-tempered metadynamics in solvent and in vacuo. The free energy profiles indicate that FRET under equilibrium conditions should be significantly affected by the de-solvation upon the transfer of ions to the gas-phase. In contrast, a change in the protonation state is found to be less impacting once de-solvated...
March 24, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28335826/first-establishment-of-microsatellite-markers-in-clausiliid-snails-mollusca-gastropoda-clausiliidae
#13
Katharina Jaksch, Luise Kruckenhauser, Elisabeth Haring, Zoltán Fehér
BACKGROUND: Clausiliidae (door snails) are gastropods with a very high diversity concerning shell morphology, especially of their complex closing apparatus, which provides the most important diagnostic traits for classification of taxa. Due to the high variability, a high number of taxa has been described, though their systematics and taxonomy is partially controversially discussed. Montenegrina is the second most speciose door snail genus in Europe. It is an obligate rock-dwelling land snail and has, compared to its complex systematics, a rather small distribution range in the western parts of the Balkan Peninsula...
March 23, 2017: BMC Research Notes
https://www.readbyqxmd.com/read/28335678/computational-study-on-transfer-of-l-ascorbic-acid-by-ulaa-through-escherichia-coli-membrane
#14
Ehsan Faghih-Mirzaee, Maryam Dehestani, Leila Zeidabadinejad
In this study, the transfer of L-ascorbic acid by UlaA through Escherichia coli (E. coli) membrane was evaluated using density functional theory (DFT), molecular docking, and molecular dynamics (MD) simulation methods. DFT calculations at the B3lyp/6[Formula: see text]311[Formula: see text]G(p,d) level were performed to investigate the interaction properties and molecular descriptors. The physical properties, such as chemical potential, chemical hardness, and chemical electrophilicity of all studied molecules, were investigated...
February 24, 2017: Journal of Bioinformatics and Computational Biology
https://www.readbyqxmd.com/read/28335613/tightly-bound-soil-water-introduces-isotopic-memory-effects-on-mobile-and-extractable-soil-water-pools
#15
Sarah L Newberry, Ulrich E Prechsl, Matthew Pace, Ansgar Kahmen
Cryogenic vacuum extraction is the well-established method of extracting water from soil for isotopic analyses of waters moving through the soil-plant-atmosphere continuum. We investigate if soils can alter the isotopic composition of water through isotope memory effects, and determined which mechanisms are responsible for it. Soils with differing physicochemical properties were re-wetted with reference water and subsequently extracted by cryogenic water distillation. Results suggest some reference waters bind tightly to the soil and not all of this tightly bound water is removed during cryogenic vacuum extraction...
March 23, 2017: Isotopes in Environmental and Health Studies
https://www.readbyqxmd.com/read/28335595/ligand-exchange-dynamics-on-gold-nanocrystals-direct-monitoring-of-nanoscale-polyvinylpyrrolidone-thiol-domain-surface-morphology
#16
Shuaidi Zhang, Sunghan Kim, Vladimir V Tsukruk
We report direct high-resolution monitoring of an evolving mixed nanodomain surface morphology during thiol adsorption on polyvinylpyrrolidone (PVP)-stabilized single crystal gold nanocrystals. The thiol adsorption and replacement dynamics are found to be much more complex than a simple complete substitution of the initial polymer ligand. We observed that during ligand exchange with linear thiol, the nanocrystal surface evolved from an initial 1 nm uniform PVP coating into a remarkably stable network of globular PVP domains 20-100 nm in size and ~4 nm in height surrounded by thiol self-assembled monolayers (SAMs)...
March 24, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28335257/characteristic-evaluation-of-graphene-oxide-for-bisphenol-a-adsorption-in-aqueous-solution
#17
Thatchaphong Phatthanakittiphong, Gyu Tae Seo
This paper investigates the characteristics of graphene oxide (GO) for Bisphenol A (BPA) adsorption in water. Batch experiments on the influence of significant parameters were performed. While an improvement of the adsorption capacity of BPA was obtained by the increment of contact time and the initial BPA concentration, the increment of pH above 8, GO dosage, and temperature showed the reverse results. The thermodynamic study suggested that BPA adsorption on GO was an exothermic and spontaneous process. The kinetics was explained by the pseudo-second-order model which covers all steps of adsorption...
July 2, 2016: Nanomaterials
https://www.readbyqxmd.com/read/28334630/probing-the-oxidative-etching-induced-dissolution-of-palladium-nanocrystals-in-solution-by-liquid-cell-transmission-electron-microscopy
#18
Yingying Jiang, Guomin Zhu, Ganxing Dong, Fang Lin, Hui Zhang, Jun Yuan, Ze Zhang, Chuanhong Jin
A microscopic study of dissolution process of nanocrystals, an opposite while functioning cooperatively with growth in many cases, is an essential issue in variety aspects of research on nanocrystals. In this work, an in situ study of the dynamic dissolution process of palladium nanocrystals by liquid cell transmission electron microscope (TEM) is presented. The effective critical size (Rcritical) for monodispersed nanocrystals is determined to be about 5nm in the experimental condition of this article. When the size of nanocrystal is above Rcritical, the dissolution rate (dr/dt) is nearly a constant...
March 7, 2017: Micron: the International Research and Review Journal for Microscopy
https://www.readbyqxmd.com/read/28334077/a-powerful-and-efficient-two-stage-method-for-detecting-gene-to-gene-interactions-in-gwas
#19
Jakub Pecanka, Marianne A Jonker, Zoltan Bochdanovits, Aad W Van Der Vaart
For over a decade functional gene-to-gene interaction (epistasis) has been suspected to be a determinant in the "missing heritability" of complex traits. However, searching for epistasis on the genome-wide scale has been challenging due to the prohibitively large number of tests which result in a serious loss of statistical power as well as computational challenges. In this article, we propose a two-stage method applicable to existing case-control data sets, which aims to lessen both of these problems by pre-assessing whether a candidate pair of genetic loci is involved in epistasis before it is actually tested for interaction with respect to a complex phenotype...
February 6, 2017: Biostatistics
https://www.readbyqxmd.com/read/28334005/multi-scale-model-of-drug-induced-adaptive-resistance-of-gram-negative-bacteria-to-polymyxin-b
#20
Wojciech Krzyzanski, Gauri G Rao
The purpose of this report is to apply multi-scale modeling using the theory of physiologically structured populations (PSP) to develop a mathematical model for antimicrobial resistance based on a heterogeneous distribution of receptors and affinities among bacterial cells. The theory has been tested on data obtained from an in vitro static time-kill infection model analyzing the pharmacodynamics of polymyxin B against Gram-negative bacteria. The drug binding parameter KD (dissociation equilibrium constant) is assumed to vary between the bacterial cells...
2017: PloS One
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