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https://www.readbyqxmd.com/read/28228481/a-helical-bundle-in-the-n-terminal-domain-of-the-blm-helicase-mediates-dimer-and-potentially-hexamer-formation
#1
Jing Shi, Wei-Fei Chen, Bo Zhang, San-Hong Fan, Xia Ai, Na-Nv Liu, Stephane Rety, Xu-Guang Xi
Helicases play a critical role in processes such as replication or recombination by unwinding double-stranded DNA; mutations of these genes can therefore have devastating biological consequences. In human, mutations in genes of three members of the RecQ family helicases (blm, wrn and recq4) give rise to three strikingly distinctive clinical phenotypes: Bloom syndrome, Werner syndrome and Rothmund-Thomson syndrome, respectively. However, the molecular basis for these varying phenotypic outcomes is unclear, in part because a full mechanistic description of helicase activity is lacking...
February 22, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28224897/cellulose-pectin-composite-hydrogels-intermolecular-interactions-and-material-properties-depend-on-order-of-assembly
#2
Patricia Lopez-Sanchez, Marta Martinez-Sanz, Mauricio R Bonilla, Dongjie Wang, Elliot P Gilbert, Jason R Stokes, Michael J Gidley
Plant cell walls have a unique combination of strength and flexibility however, further investigations are required to understand how those properties arise from the assembly of the relevant biopolymers. Recent studies indicate that Ca(2+)-pectates can act as load-bearing components in cell walls. To investigate this proposed role of pectins, bioinspired wall models were synthesised based on bacterial cellulose containing pectin-calcium gels by varying the order of assembly of cellulose/pectin networks, pectin degree of methylesterification and calcium concentration...
April 15, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28224788/coarse-grained-molecular-modeling-of-solution-structure-ensemble-of-dengue-virus-non-structural-protein-5-with-small-angle-x-ray-scattering-intensity
#3
Guanhua Zhu, Wuan Geok Saw, Anjaiah Nalaparaju, Gerhard Grüber, Lanyuan Lu
An ensemble modeling scheme incorporating coarse-grained simulations with experimental small-angle X-ray scattering (SAXS) data is applied to the dengue virus 2 (DENV2) non-structural protein 5 (NS5). NS5 serves a key role in viral replication through its two domains that are connected by a ten-residue polypeptide segment. A set of representative structures are generated from a simulated structure pool using SAXS data fitting by the non-negativity least squares (NNLS) or the standard Ensemble Optimization Method (EOM) based on a genetic algorithm (GA)...
February 22, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28221812/intermicellar-interactions-and-the-viscoelasticity-of-surfactant-solutions-complementary-use-of-sans-and-saxs
#4
Viviane Lutz-Bueno, Marianne Liebi, Joachim Kohlbrecher, Peter Fischer
In ionic surfactant micelles, basic interactions among distinct parts of surfactant monomers, their counterion, and additives are fundamental to tune molecular self-assembly and enhance viscoelasticity. Here, we investigate the addition of sodium salicylate (NaSal) to hexa-decyltrimethyl ammonium chloride and bromide (CTAC and CTAB) and 1-hexa-decyl pyridinium chloride and bromide (CPyCl and CPyBr), which have distinct counterions and headgroup structures, but the same hydrophobic tail. Different contrasts are obtained from small-angle neutron scattering SANS, which probes differences between the nucleus of atoms, and X-rays SAXS, which probes differences in electron density...
February 21, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28219610/bictegravir-versus-dolutegravir-each-with-emtricitabine-and-tenofovir-alafenamide-for-initial-treatment-of-hiv-1-infection-a-randomised-double-blind-phase-2-trial
#5
Paul E Sax, Edwin DeJesus, Gordon Crofoot, Douglas Ward, Paul Benson, Robin Dretler, Anthony Mills, Cynthia Brinson, Julie Peloquin, Xuelian Wei, Kirsten White, Andrew Cheng, Hal Martin, Erin Quirk
BACKGROUND: All recent treatment guidelines recommend integrase strand transfer inhibitors (INSTIs) as components of initial HIV therapy. Bictegravir, a novel, once-daily, unboosted INSTI, showed potent activity in a 10 day monotherapy study and has a high in-vitro resistance barrier. On the basis of these results, we did a phase 2 trial comparing bictegravir with dolutegravir. METHODS: In this randomised, double-blind, phase 2 trial, we recruited previously untreated adults (aged ≥18 years) with HIV-1 infections from 22 outpatient centres in the USA...
February 14, 2017: Lancet HIV
https://www.readbyqxmd.com/read/28215697/directed-network-discovery-with-dynamic-network-modeling
#6
Stefano Anzellotti, Dorit Kliemann, Nir Jacoby, Rebecca Saxe
Cognitive tasks recruit multiple brain regions. Understanding how these regions influence each other (the network structure) is an important step to characterize the neural basis of cognitive processes. Often, limited evidence is available to restrict the range of hypotheses a priori, and techniques that sift efficiently through a large number of possible network structures are needed (network discovery). This article introduces a novel modeling technique for network discovery (Dynamic Network Modeling or DNM) that builds on ideas from Granger Causality and Dynamic Causal Modeling introducing three key changes: (1) efficient network discovery is implemented with statistical tests on the consistency of model parameters across participants, (2) the tests take into account the magnitude and sign of each influence, and (3) variance explained in independent data is used as an absolute (rather than relative) measure of the quality of the network model...
February 16, 2017: Neuropsychologia
https://www.readbyqxmd.com/read/28212858/refractive-index-and-thickness-determination-in-langmuir-monolayers-of-myelin-lipids
#7
Julio M Pusterla, Antonio A Malfatti-Gasperini, Ximena E Puentes-Martinez, Leide P Cavalcanti, Rafael G Oliveira
Langmuir monolayers at the air/water interface are widely used as biomembrane models and for amphiphilic molecules studies in general. Under controlled intermolecular organization (lateral molecular area), surface pressure, surface potential, reflectivity (R) and other magnitudes can be precisely determined on these planar monomolecular films. However, some physical parameters such as the refractive index of the monolayer (n) still remain elusive. The refractive index is very relevant because (in combination with R) it allows for the determination of the thickness of the film...
February 16, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28199111/parallel-comparison-of-n-linked-glycopeptide-enrichment-techniques-reveals-extensive-glycoproteomic-analysis-of-plasma-enabled-by-sax-erlic
#8
Sarah M Totten, Christa L Feasley, Abel Bermudez, Sharon J Pitteri
Protein glycosylation is of increasing interest due to its important roles in protein function and aberrant expression with disease. Characterizing protein glycosylation remains analytically challenging due to its low abundance, ion suppression issues, and microheterogeneity at glycosylation sites, especially in complex samples such as human plasma. In this study, the utility of three common N-linked glycopeptide enrichment techniques is compared using human plasma. By analysis on an LTQ-Orbitrap Elite mass spectrometer, electrostatic repulsion hydrophilic interaction liquid chromatography using strong anion exchange solid-phase extraction (SAX-ERLIC) provided the most extensive N-linked glycopeptide enrichment when compared with multilectin affinity chromatography (M-LAC) and Sepharose-HILIC enrichments...
February 15, 2017: Journal of Proteome Research
https://www.readbyqxmd.com/read/28199082/influence-of-solvent-on-the-structure-of-an-amphiphilic-block-copolymer-in-solution-and-in-formation-of-an-integral-asymmetric-membrane
#9
Maryam Radjabian, Clarissa Abetz, Birgit Fischer, Andreas Meyer, Volker Abetz
Nanoporous membranes with tailored size pores and multifunctionality derived from self-assembled block copolymers attract growing interest in ultrafiltration. The influence of the structure of block copolymer in the membrane casting solution on the formation of integral asymmetric isoporous block copolymer membranes using the nonsolvent induced phase separation process (NIPS) has been one of the long-standing questions in this research area. In this work we studied the principal role of the solvent on the micellization and self-assembly of asymmetric polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP) diblock copolymers by using a combination of dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS)...
February 15, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28195741/behavior-of-ppi-g2-dendrimer-in-a-microemulsion
#10
Shifra Rokach, Maria Francesca Ottaviani, Alexander I Shames, Abraham Aserin, Nissim Garti
Dendrimer nanostructures are of eminent interest in biomedical applications because of their uniform and well-defined molecular size and shape, and their ability to cross cell membranes and reduce the risk of premature clearance from the human body. Dendrimers perform as gene and drug carriers and have also shown significant therapeutic properties for treating cancer and neurodegenerative diseases. A complex drug delivery system, based on a dendrimer solubilized in the aqueous core of a water-in-oil (W/O) microemulsion (ME) along with the drug may combine the advantages of both dendrimers and MEs to provide better control of drug release...
February 14, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28192906/coupling-high-throughput-microfluidics-and-small-angle-x-ray-scattering-to-study-protein-crystallization-from-solution
#11
Nhat Pham, Dimitri Radajewski, Adam Round, Martha Brennich, Petra Pernot, Béatrice Biscans, Françoise Bonneté, Sébastien Teychené
In this work, we propose the combination of small-angle X-ray scattering (SAXS) and high throughput, droplet based microfluidics as a powerful tool to investigate macromolecular interactions, directly related to protein solubility. For this purpose, a robust and low cost microfluidic platform was fabricated for achieving the mixing of proteins, crystallization reagents, and buffer in nanoliter volumes and the subsequent generation of nanodroplets by means of a two phase flow. The protein samples are compartmentalized inside droplets, each one acting as an isolated microreactor...
February 8, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28192671/electron-deficient-dihydroindaceno-dithiophene-regioisomers-for-n-type-organic-field-effect-transistors
#12
Jean-David Peltier, Benoît Heinrich, Bertrand Donnio, Joëlle Rault-Berthelot, Emmanuel Jacques, Cyril Poriel
In this work, we wish to report the first member of a new family of organic semiconductors constructed on a meta dihydroindacenodithiophene core, that is, 2,2'-(2,8-dihexyl-4,6-dihydro-s-indaceno[1,2-b:7,6-b']dithiophene-4,6-diylidene)dimalononitrile (called meta-IDT(═C(CN)2)2). The properties of this molecule were studied in detail through a structure-properties relationship study with its regioisomer, that is, 2,2'-(2,7-dihexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-4,9-diylidene)dimalononitrile (para-IDT(═C(CN)2)2) (see isomer structures in blue in Chart 2)...
February 21, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28191966/self-assembled-lyotropic-liquid-crystalline-phase-behaviour-of-monoolein-capric-acid-phospholipid-nanoparticulate-systems
#13
Jiali Zhai, Nhiem Tran, Sampa Sarkar, Celesta Fong, Xavier Mulet, Calum J Drummond
We report here the lyotropic liquid crystalline phase behaviour of two lipid nanoparticulate systems containing mixtures of monoolein, capric acid and saturated diacyl phosphatidylcholines dispersed by the Pluronic F127 block copolymer. Synchrotron small angle X-ray scattering (SAXS) was used to screen the phase behaviour of a library of lipid nanoparticles in a high-throughput manner. It was found that adding capric acid and phosphatidylcholines had opposing effects on the spontaneous membrane curvature of the monoolein lipid layer and hence the internal mesophase of the final nanoparticles...
February 13, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28186111/stability-structural-and-functional-properties-of-a-monomeric-calcium-loaded-adenylate-cyclase-toxin-cyaa-from-bordetella-pertussis
#14
Sara E Cannella, Véronique Yvette Ntsogo Enguéné, Marilyne Davi, Christian Malosse, Ana Cristina Sotomayor Pérez, Julia Chamot-Rooke, Patrice Vachette, Dominique Durand, Daniel Ladant, Alexandre Chenal
Bordetella pertussis, the causative agent of whooping cough, secretes an adenylate cyclase toxin, CyaA, which invades eukaryotic cells and alters their physiology by cAMP overproduction. Calcium is an essential cofactor of CyaA, as it is the case for most members of the Repeat-in-ToXins (RTX) family. We show that the calcium-bound, monomeric form of CyaA, hCyaAm, conserves its permeabilization and haemolytic activities, even in a fully calcium-free environment. In contrast, hCyaAm requires sub-millimolar calcium in solution for cell invasion, indicating that free calcium in solution is involved in the CyaA toxin translocation process...
February 10, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28184270/randomized-comparison-of-popliteal-sciatic-perineural-catheter-tip-migration-and-dislocation-in-a-cadaver-model-using-two-catheter-designs
#15
Lauren Steffel, Steven K Howard, Lindsay Borg, Edward R Mariano, Jody C Leng, T Edward Kim
BACKGROUND: New catheter-over-needle (CON) technology for continuous peripheral nerve blockade has emerged, but its effect on the risk of perineural catheter tip dislocation is unknown. Less flexible catheters may be more likely to migrate away from the nerve with simulated patient movement. In the present study, we evaluated catheter tip migration between CON catheters and traditional catheter-through-needle (CTN) catheters during ultrasound-guided short-axis in-plane (SAX-IP) insertion...
February 2017: Korean Journal of Anesthesiology
https://www.readbyqxmd.com/read/28170272/structural-and-thermodynamic-properties-of-nanoparticle-protein-complexes-a-combined-saxs-and-sans-study
#16
Francesco Spinozzi, Giacomo Ceccone, Paolo Moretti, Gabriele Campanella, Claudio Ferrero, Sophie Combet, Isaac Ojea-Jimenez, Paolo Ghigna
We propose a novel method for determining the structural and thermodynamic properties of nanoparticle-protein complexes under physiological conditions. The method consists of collecting a full set of small-angle X-ray and neutron-scattering measurements in solutions with different concentrations of nanoparticles and protein. The nanoparticle-protein dissociation process is described in the framework of the Hill cooperative model, based on which the whole set of X-ray and neutron-scattering data is fitted simultaneously...
February 20, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28167544/nanoliposomal-buparvaquone-immunomodulates-leishmania-l-infantum-infected-macrophages-and-is-highly-effective-in-murine-model
#17
Thais Alves da Costa-Silva, Andrés Jimenez Galisteo, José Angelo Lauletta Lindoso, Leandro R S Barbosa, Andre Gustavo Tempone
Visceral leishmaniasis (VL) is a fatal parasitic neglected disease affecting 1.5 million people worldwide. Based on the drug repositioning approach, the aim of this work was to investigate the in vitro immunomodulatory potential of buparvaquone (BPQ) and to stablish a safe regimen to evaluate the in vivo efficacy of BPQ entrapped into negatively charged nanoliposomes (BPQ-LP) in Leishmania (L.) infantum infected hamsters. Small angle X-ray scattering (SAXS), dynamic light scattering (DLS) and ζ-potential were applied in order to study the influence of BPQ on the liposome structure...
February 6, 2017: Antimicrobial Agents and Chemotherapy
https://www.readbyqxmd.com/read/28165708/preparation-characterization-and-mechanism-for-biodegradable-and-biocompatible-polyurethane-shape-memory-elastomers
#18
Yu-Chun Chien, Wei-Tsung Chuang, U-Ser Jeng, Shan-Hui Hsu
Thermally induced shape memory is an attractive feature of certain functional materials. Among the shape memory polymers, shape memory elastomers (SMEs) especially those with biodegradability have great potential in the biomedical field. In this study, we prepared waterborne biodegradable polyurethane SME based on poly(ε-caprolactone) (PCL) oligodiol and poly(l-lactic acid) (PLLA) oligodiol as the mixed soft segments. The ratio of the soft segments in polyurethanes was optimized for shape memory behavior. The thermally induced shape memory mechanism of the series of polyurethanes was clarified using differential scanning calorimeter (DSC), X-ray diffraction (XRD), and small-angle X-ray scattering (SAXS)...
February 6, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28165000/high-affinity-anchoring-of-the-decoration-protein-pb10-onto-the-bacteriophage-t5-capsid
#19
Emeline Vernhes, Madalena Renouard, Bernard Gilquin, Philippe Cuniasse, Dominique Durand, Patrick England, Sylviane Hoos, Alexis Huet, James F Conway, Anatoly Glukhov, Vladimir Ksenzenko, Eric Jacquet, Naïma Nhiri, Sophie Zinn-Justin, Pascale Boulanger
Bacteriophage capsids constitute icosahedral shells of exceptional stability that protect the viral genome. Many capsids display on their surface decoration proteins whose structure and function remain largely unknown. The decoration protein pb10 of phage T5 binds at the centre of the 120 hexamers formed by the major capsid protein. Here we determined the 3D structure of pb10 and investigated its capsid-binding properties using NMR, SAXS, cryoEM and SPR. Pb10 consists of an α-helical capsid-binding domain and an Ig-like domain exposed to the solvent...
February 6, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28153273/field-based-application-of-developed-solid-phase-extraction-with-inductively-coupled-plasma-mass-spectrometry-for-vanadium-speciation-analysis-of-groundwaters-from-argentina
#20
W A Al Rawahi, N I Ward
High levels of vanadium have been reported in groundwater (<0.05-5300μgL(-1) V) from different parts of Argentina, yet no detailed study of vanadium speciation has been performed. A highly selective strong anion exchange - solid phase extraction (SAX-SPE) method was used (in-situ) for vanadium speciation analysis of groundwater samples from La Pampa - LP (General San Martin and Eduardo Castex) and Buenos Aires - BA (San German) provinces in Argentina. In this method both vanadyl (V(IV)) and vanadate (V(V)) were trapped by the complexation with disodium ethylenediaminetetraacetic acid on a pre-conditioned SAX cartridge...
April 1, 2017: Talanta
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