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https://www.readbyqxmd.com/read/28545134/structures-of-the-inactive-and-active-states-of-rip2-kinase-inform-on-the-mechanism-of-activation
#1
Erika Pellegrini, Luca Signor, Saurabh Singh, Elisabetta Boeri Erba, Stephen Cusack
Innate immune receptors NOD1 and NOD2 are activated by bacterial peptidoglycans leading to recruitment of adaptor kinase RIP2, which, upon phosphorylation and ubiquitination, becomes a scaffold for downstream effectors. The kinase domain (RIP2K) is a pharmaceutical target for inflammatory diseases caused by aberrant NOD2-RIP2 signalling. Although structures of active RIP2K in complex with inhibitors have been reported, the mechanism of RIP2K activation remains to be elucidated. Here we analyse RIP2K activation by combining crystal structures of the active and inactive states with mass spectrometric characterization of their phosphorylation profiles...
2017: PloS One
https://www.readbyqxmd.com/read/28544966/antibacterial-property-and-biocompatibility-of-chitosan-poly-vinyl-alcohol-zno-cs-pva-zno-beads-as-an-efficient-adsorbent-for-cu-ii-removal-from-aqueous-solution
#2
Jiao Xu, Yaping Zhang, Yuvaraja Gutha, Weijiang Zhang
The feasibility of using chitosan/Poly(vinyl alcohol)/ZnO beads (CS/PVA/ZnO) as an adsorbent for removal of Cu(II) ions from aqueous solutions was studied in a batch method. The developed adsorbent material was characterized by XRD, FTIR, SEM and TEM analysis. Pure ZnO shows the characteristic peaks at (100), (002), (101), (102), (110), (103), (200) and (112) that were in good agreement with wurtzite ore having hexagonal lattice structure. Antibacterial properties and biocompatibility of the CS/PVA/ZnO was tested...
May 11, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28544368/catalytic-electrophilic-alkylation-of-p-quinones-via-a-redox-chain-reaction
#3
Xiao-Long Xu, Zhi Li
Allylation and benzylation of p-quinones is achieved by an unusual redox chain reaction. Mechanistic studies suggest that the trace existence of hydroquinone initiates a redox chain reaction that consists of a Lewis acid-catalyzed Friedel-Crafts alkylation and a subsequent redox equilibrium that regenerates hydroquinone. The electrophiles could be various allylic and benzylic esters. Addition of Hantzsch ester as initiator improves the efficiency of the reaction.
May 22, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28542425/association-of-atg16l1-gene-haplotype-with-inflammatory-bowel-disease-in-indians
#4
Srinivasan Pugazhendhi, Kirankumar Baskaran, Srikanth Santhanam, Balakrishnan S Ramakrishna
Inflammatory bowel disease (IBD) is characterized by multigenic inheritance. Defects in autophagy related genes are considered to show genetic heterogeneity between populations. We evaluated the association of several single nucleotide polymorphisms (SNPs) in the autophagy related 16 like 1 (ATG16L1) gene with IBD in Indians. The ATG16L1 gene was genotyped for ten different SNPs using DNA extracted from peripheral blood of 234 patients with Crohn's disease (CD), 249 patients with ulcerative colitis (UC) and 393 healthy controls The SNPs rs2241880, rs4663396, rs3792106, rs10210302, rs3792109, rs2241877, rs6737398, rs11682898, rs4663402 and rs4663421 were genotyped using the Sequenom MassArray platform...
2017: PloS One
https://www.readbyqxmd.com/read/28542283/shared-susceptibility-loci-at-2q33-region-for-lung-and-esophageal-cancers-in-high-incidence-areas-of-esophageal-cancer-in-northern-china
#5
Xue Ke Zhao, Yi Min Mao, Hui Meng, Xin Song, Shou Jia Hu, Shuang Lv, Rang Cheng, Tang Juan Zhang, Xue Na Han, Jing Li Ren, Yi Jun Qi, Li Dong Wang
BACKGROUND: Cancers from lung and esophagus are the leading causes of cancer-related deaths in China and share many similarities in terms of histological type, risk factors and genetic variants. Recent genome-wide association studies (GWAS) in Chinese esophageal cancer patients have demonstrated six high-risk candidate single nucleotide polymorphisms (SNPs). Thus, the present study aimed to determine the risk of these SNPs predisposing to lung cancer in Chinese population. METHODS: A total of 1170 lung cancer patients and 1530 normal subjects were enrolled in this study from high-incidence areas for esophageal cancer in Henan, northern China...
2017: PloS One
https://www.readbyqxmd.com/read/28541953/application-of-black-walnut-juglans-nigra-husk-for-the-removal-of-lead-ii-ion-from-aqueous-solution
#6
O S Lawal, O S Ayanda, O O Rabiu, K O Adebowale
The biosorption characteristics of Pb (II) ions from aqueous solution using black walnut (Juglans nigra) seed husk (WSH) biomass were investigated using batch adsorption techniques. The effects of pH, contact time, initial Pb (II) ion concentration, and temperature were studied. The Langmuir, Freundlich and Temkin isotherms were used to analyze the equilibrium data. It was found that the adsorption of Pb (II) ions onto WSH was best described by the Freundlich adsorption model. Biosorption kinetics data were tested using the pseudo-first order and pseudo-second order models, and it was observed that the kinetics data fitted the pseudo-second order model...
May 2017: Water Science and Technology: a Journal of the International Association on Water Pollution Research
https://www.readbyqxmd.com/read/28541947/methylene-blue-removal-using-a-low-cost-activated-carbon-adsorbent-from-tobacco-stems-kinetic-and-equilibrium-studies
#7
Bellington Mudyawabikwa, Henry H Mungondori, Lilian Tichagwa, David M Katwire
The aim of this study was to prepare activated carbon from tobacco stalks using microwave heating. The prepared activated carbon was applied as an adsorbent in methylene blue (MB) removal from water. The optimum conditions for activated carbon preparation were a radiation power of 280 W for a period of 6 minutes after the impregnation of the precursor material with 30% ZnCl2 for 24 hours. The activated carbon yield and iodine number were 49.43% and 1,264.51 mg/g respectively. The activated carbon also had a point of zero charge of 5...
May 2017: Water Science and Technology: a Journal of the International Association on Water Pollution Research
https://www.readbyqxmd.com/read/28541939/adsorption-kinetics-and-isotherm-of-vanadium-with-melamine
#8
Hao Peng, Zuohua Liu, Changyuan Tao
Melamine, possessing three free amino groups and three aromatic nitrogen atoms in its molecule, has great potential as an adsorbent for metal ions. We investigated three impact factors of the adsorption process: the initial pH of the vanadium solution, contact time and reaction temperature. The adsorption kinetics could be accurately described by the pseudo-second-order kinetic model. Langmuir and Freundlich models fitted well with the experimental equilibrium data, and the maximal adsorption capacity was found to be 1,428...
May 2017: Water Science and Technology: a Journal of the International Association on Water Pollution Research
https://www.readbyqxmd.com/read/28541927/comparison-of-nitrogen-vacancy-complexes-in-diamond-and-cubic-sic-dose-dependencies-and-spin-hamiltonian-parameters
#9
Taras Leonidovych Petrenko, V Bryksa
At present nitrogen-vacancy (NV) complex in diamond is the most promising defect for application in the area of quantum computing. This provides a stimulus for extensive search of another defects in semiconductors with similar properties. Recently it was shown that N$_{C}$V$_{Si}$ defect complex in SiC is perspective for this goal as well. In the present work we perform comparative \textit{ab initio} studies of NV complexes in diamond and 3\textit{C}-SiC. We focus both on radiospectroscopic characterization of these defects and on calculation of equilibrium concentration of complexes in irradiated crystals...
May 25, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28541693/shuttlecock-shaped-molecular-rectifier-asymmetric-electron-transport-coupled-with-controlled-molecular-motion
#10
Taekhee Ryu, Yves Lansac, Yun Hee Jang
A fullerene derivative with five hydroxyphenyl groups attached around a pentagon, (4-HOC6H4)5HC60 (1), has shown an asymmetric current-voltage (I-V) curve in a conducting atomic force microscopy experiment on gold. Such molecular rectification has been ascribed to the asymmetric distribution of frontier molecular orbitals over its shuttlecock-shaped structure. Our non-equilibrium Green's function (NEGF) calculations based on density functional theory (DFT) indeed exhibit an asymmetric I-V curve for 1 standing up between two Au (111) electrodes, but the resulted rectification ratio (RR ~ 3) is insufficient to explain the wide range of RR observed in experiments performed under a high bias voltage...
May 25, 2017: Nano Letters
https://www.readbyqxmd.com/read/28541037/phase-behavior-of-salt-free-polyelectrolyte-gel-surfactant-systems
#11
Martin Andersson, Per Hansson
Ionic surfactants tend to collapse the outer parts of polyelectrolyte gels, forming shells that can be used to encapsulate other species including protein and peptide drugs. In this paper the aqueous phase behaviour of covalently crosslinked polyacrylate networks containing sodium ions and dodecyltrimethylammonium ions as counterions is investigated by means of swelling isotherms, dye staining, small-angle x-ray scattering and confocal Raman spectroscopy. The equilibrium state is approached by letting the networks absorb pure water...
May 25, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28540892/aldosterone-synthase-gene-is-not-a-major-susceptibility-gene-for-progression-of-chronic-kidney-disease-in-patients-with-autosomal-dominant-polycystic-kidney-disease
#12
Gnanasambandan Ramanathan, Ramprasad Elumalai, Soundararajan Periyasamy, Bhaskar V K S Lakkakula
Autosomal dominant polycystic kidney disease (ADPKD) is the most common heritable kidney disease and is characterized by bilateral renal cysts. Hypertension is a frequent cause of chronic kidney disease (CKD) and mortality in patients with ADPKD. The aldosterone synthase gene polymorphisms of the renin-angiotensin-aldosterone system have been extensively studied as hypertension candidate genes. The present study is aimed to investigate the potential modifier effect of CYP11B2 gene on the progression of CKD in ADPKD...
May 2017: Saudi Journal of Kidney Diseases and Transplantation
https://www.readbyqxmd.com/read/28539701/adsorptive-water-removal-from-dichloromethane-and-vapor-phase-regeneration-of-a-molecular-sieve-3a-packed-bed
#13
Slaviša Jović, Yashasvi Laxminarayan, Jos Keurentjes, Jaap Schouten, John van der Schaaf
The drying of dichloromethane with a molecular sieve 3A packed bed process is modeled and experimentally verified. In the process, the dichloromethane is dried in the liquid phase and the adsorbent is regenerated by water desorption with dried dichloromethane product in the vapor phase. Adsorption equilibrium experiments show that dichloromethane does not compete with water adsorption, because of size exclusion; the pure water vapor isotherm from literature provides an accurate representation of the experiments...
May 3, 2017: Industrial & Engineering Chemistry Research
https://www.readbyqxmd.com/read/28539649/interspecies-interactions-reverse-the-hazard-of-antibiotics-exposure-a-plankton-community-study-on-responses-to-ciprofloxacin-hydrochloride
#14
Changyou Wang, Ziyang Wang, Yong Zhang, Rongguo Su
The ecotoxicological effects of Ciprofloxacin hydrochloride (CIP) were tested on population densities of plankton assemblages consisting of two algae (Isochrysis galbana and Platymonas subcordiformis) and a rotifer (Brachionus plicatilis). The I. galbana showed a significant decrease in densities when concentrations of CIP were above 2.0 mg L(-1) in single-species tests, while P. subcordiformis and B. plicatilis were stable in densities when CIP were less than10.0 mg L(-1). The equilibrium densities of I...
May 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28539484/variation-of-thermal-conductivity-of-dppc-lipid-bilayer-membranes-around-the-phase-transition-temperature
#15
Sina Youssefian, Nima Rahbar, Christopher R Lambert, Steven Van Dessel
Given their amphiphilic nature and chemical structure, phospholipids exhibit a strong thermotropic and lyotropic phase behaviour in an aqueous environment. Around the phase transition temperature, phospholipids transform from a gel-like state to a fluid crystalline structure. In this transition, many key characteristics of the lipid bilayers such as structure and thermal properties alter. In this study, we employed atomistic simulation techniques to study the structure and underlying mechanisms of heat transfer in dipalmitoylphosphatidylcholine (DPPC) lipid bilayers around the fluid-gel phase transformation...
May 2017: Journal of the Royal Society, Interface
https://www.readbyqxmd.com/read/28538153/new-continuum-approaches-for-determining-protein-induced-membrane-deformations
#16
David Argudo, Neville P Bethel, Frank V Marcoline, Charles W Wolgemuth, Michael Grabe
The influence of the membrane on transmembrane proteins is central to a number of biological phenomena, notably the gating of stretch activated ion channels. Conversely, membrane proteins can influence the bilayer, leading to the stabilization of particular membrane shapes, topological changes that occur during vesicle fission and fusion, and shape-dependent protein aggregation. Continuum elastic models of the membrane have been widely used to study protein-membrane interactions. These mathematical approaches produce physically interpretable membrane shapes, energy estimates for the cost of deformation, and a snapshot of the equilibrium configuration...
May 23, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28538095/high-resolution-structures-of-the-amyloid-%C3%AE-1-42-dimers-from-the-comparison-of-four-atomistic-force-fields
#17
Viet Hoang Man, Phuong Hoang Nguyen, Philippe Derreumaux
The dimer of the amyloid-beta peptide Aβ of 42 residues is the smallest toxic species in Alzheimer's disease, but its equilibrium structures are unknown. Here we determined the equilibrium ensembles generated by the four atomistic OPLS-AA, CHARMM22*, AMBER99sb-ildn and AMBERsb14 force fields with the TIP3P water model. Based on 144 microsecond replica exchange molecular dynamics simulations (with 750 ns per replica), we find that the four force fields lead to random coil ensembles with calculated cross-collision sections, hydrodynamics properties and small-angle X-ray scattering profiles independent on the force field...
May 24, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28537739/modeling-the-effect-of-polymer-chain-stiffness-on-the-behavior-of-polymer-nanocomposites
#18
José Javier Burgos-Mármol, Óscar Álvarez-Machancoses, Alessandro Patti
Due to their central role in industrial formulations spanning from food packaging to smart coatings, polymer nanocomposites have been the object of a remarkable attention over the last two decades. Incorporating nanoparticles (NPs) to a polymer matrix modifies the conformation and mobility of the polymer chains at the NP-polymer interface and can potentially provide materials with enhanced properties as compared to pristine polymers. To this end, it is crucial to predict and control the ability of NPs to diffuse and achieve a good dispersion in the polymer matrix...
May 24, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28537735/improved-superresolution-imaging-using-telegraph-noise-in-organic-semiconductor-nanoparticles
#19
Yifei Jiang, Muskendol Novoa, Teeranan Nongnual, Rhonda Powell, Terri F Bruce, Jason D McNeill
Small semiconductor structures often exhibit "telegraph noise". If the number of charge carriers is small, then spontaneous changes in the number of carriers can lead to abrupt switching between two or more discrete levels, leading to burst noise or popcorn noise in transistors. We have observed similar behavior in the fluorescence of organic semiconductor nanoparticles, where typical carrier populations are often less than ~10 carriers per nanoparticle. Spontaneous changes in the number of charges results in abrupt switching between 2 or more fluorescence intensity levels, since the charges act as highly efficient fluorescence quenchers...
May 24, 2017: Nano Letters
https://www.readbyqxmd.com/read/28537607/colloid-oil-water-interface-interactions-in-the-presence-of-multiple-salts-charge-regulation-and-dynamics
#20
J C Everts, S Samin, N A Elbers, J E S van der Hoeven, A van Blaaderen, R van Roij
We theoretically and experimentally investigate colloid-oil-water-interface interactions of charged, sterically stabilized, poly(methyl-methacrylate) colloidal particles dispersed in a low-polar oil (dielectric constant ε = 5-10) that is in contact with an adjacent water phase. In this model system, the colloidal particles cannot penetrate the oil-water interface due to repulsive van der Waals forces with the interface whereas the multiple salts that are dissolved in the oil are free to partition into the water phase...
May 24, 2017: Physical Chemistry Chemical Physics: PCCP
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