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https://www.readbyqxmd.com/read/28731776/predicting-flory-huggins-%C3%AF-from-simulations
#1
Wenlin Zhang, Enrique D Gomez, Scott T Milner
We introduce a method, based on a novel thermodynamic integration scheme, to extract the Flory-Huggins χ parameter as small as 10^{-3}kT for polymer blends from molecular dynamics (MD) simulations. We obtain χ for the archetypical coarse-grained model of nonpolar polymer blends: flexible bead-spring chains with different Lennard-Jones interactions between A and B monomers. Using these χ values and a lattice version of self-consistent field theory (SCFT), we predict the shape of planar interfaces for phase-separated binary blends...
July 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28731748/characterizing-time-irreversibility-in-disordered-fermionic-systems-by-the-effect-of-local-perturbations
#2
Shreya Vardhan, Giuseppe De Tomasi, Markus Heyl, Eric J Heller, Frank Pollmann
We study the effects of local perturbations on the dynamics of disordered fermionic systems in order to characterize time irreversibility. We focus on three different systems: the noninteracting Anderson and Aubry-André-Harper (AAH) models and the interacting spinless disordered t-V chain. First, we consider the effect on the full many-body wave functions by measuring the Loschmidt echo (LE). We show that in the extended or ergodic phase the LE decays exponentially fast with time, while in the localized phase the decay is algebraic...
July 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28731627/his-tag-immobilization-of-cutinase-1-from-thermobifida-cellulosilytica-for-solvent-free-synthesis-of-polyesters
#3
Alessandro Pellis, Marco Vastano, Felice Quartinello, Enrique Herrero Acero, Georg M Guebitz
For many years, lipase B from Candida antarctica (CaLB) was the primary biocatalyst used for enzymatic esterification and polycondensation reactions. More recently, the need for novel biocatalysts with different selectivity has arisen in the biotechnology and biocatalysis fields. The present work describes how the catalytic potential of Thermobifida cellulosilytica cutinase 1 (Thc_Cut1) was exploited for polyester synthesis. in a first step, Thc_Cut1 was immobilized on three different carriers, namely Opal, Coral and Amber, using a novel non-toxic His-tag method based on chelated Fe(iii) ions (>99% protein bounded)...
July 21, 2017: Biotechnology Journal
https://www.readbyqxmd.com/read/28730787/association-of-ferritin-with-prostate-cancer
#4
Qiang Su, Ting Lei, Man Zhang
PURPOSE: Prostate specific antigen (PSA) has been widely used as the unique serum biomarker for the diagnosis and/ or pre-diagnosis of prostate cancer (PCa). However, the diagnostic value of PSA is a subject of ongoing debate owing to its lack of specificity, especially when the PSA level is moderately increased (e.g., 4-10 ng/ml). Thus, we suggest the need for identification of a new biomarker to discriminate PCa cases from benign prostatic hyperplasia (BPH) and normal controls (N). METHODS: Urine or tissue samples of PCa patients, BPH patients, and normal controls were systematically collected...
May 2017: Journal of B.U.ON.: Official Journal of the Balkan Union of Oncology
https://www.readbyqxmd.com/read/28730783/analysis-of-related-risk-factors-and-reversal-value-of-renal-injury-in-elderly-patients-with-multiple-myeloma
#5
Wang Ling, Wu Yu, Haoyuan Sun, Meiyue Lv
PURPOSE: To study risk factors associated with renal injuries in elderly patients with multiple myeloma. METHODS: From January 2012 to January 2015 135 elderly patients with multiple myeloma who were treated in Xuzhou No.1 People's Hospital were enrolled in this study. Risk factors associated with their renal function, such as gender, serum levels of hemoglobin, uric acid, serum calcium and phosphorus, serum and urinary levels of β2 microglobulin, diastolic blood pressure and light chain protein distribution were assessed before and after relative treatments...
May 2017: Journal of B.U.ON.: Official Journal of the Balkan Union of Oncology
https://www.readbyqxmd.com/read/28729752/integral-equation-and-thermodynamic-perturbation-theory-for-a-two-dimensional-model-of-chain-forming-fluid
#6
Tomaz Urbic
In this paper we applied analytical theories for the two dimensional chain-forming fluid. Wertheims thermodynamic perturbation theory (TPT) and integral equation theory (IET) for associative liquids were used to study thermodynamical and structural properties of the chain-forming model. The model has polymerizing points at arbitrary position from center of the particles. Calculated analytical results were tested against corresponding results obtained by Monte Carlo computer simulations to check the accuracy of the theories...
July 2017: Journal of Molecular Liquids
https://www.readbyqxmd.com/read/28729611/cryptic-speciation-in-pan-tropical-sea-urchins-a-case-study-of-an-edge-of-range-population-of-tripneustes-from-the-kermadec-islands
#7
Omri Bronstein, Andreas Kroh, Barbara Tautscher, Libby Liggins, Elisabeth Haring
Tripneustes is one of the most abundant and ecologically significant tropical echinoids. Highly valued for its gonads, wild populations of Tripneustes are commercially exploited and cultivated stocks are a prime target for the fisheries and aquaculture industry. Here we examine Tripneustes from the Kermadec Islands, a remote chain of volcanic islands in the southwest Pacific Ocean that mark the boundary of the genus' range, by combining morphological and genetic analyses, using two mitochondrial (COI and the Control Region), and one nuclear (bindin) marker...
July 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28728708/effect-of-partitioning-the-nonfiber-carbohydrate-fraction-and-neutral-detergent-fiber-method-on-digestibility-of-carbohydrates-by-dairy-cows
#8
A W Tebbe, M J Faulkner, W P Weiss
Many nutrition models rely on summative equations to estimate feed and diet energy concentrations. These models partition feed into nutrient fractions and multiply the fractions by their estimated true digestibility, and the digestible mass provided by each fraction is then summed and converted to an energy value. Nonfiber carbohydrate (NFC) is used in many models. Although it behaves as a nutritionally uniform fraction, it is a heterogeneous mixture of components. To reduce the heterogeneity, we partitioned NFC into starch and residual organic matter (ROM), which is calculated as 100 - CP - LCFA - ash - starch - NDF, where crude protein (CP), long-chain fatty acids (LCFA), ash, starch, and neutral detergent fiber (NDF) are a percentage of DM...
August 2017: Journal of Dairy Science
https://www.readbyqxmd.com/read/28728404/quality-of-steak-restructured-from-beef-trimmings-containing-microbial-transglutaminase-and-impacted-by-freezing-and-grading-by-fat-level
#9
Supaluk Sorapukdee, Pussadee Tangwatcharin
Objective: The objective of this research was to evaluate the physico-chemical, microbiological and sensorial qualities of restructured steaks processed from beef trimmings (grade I and II) and frozen beef (fresh beef as control and frozen beef). Method: Beef trimmings from commercial butcher were collected, designated into 4 treatments differed in beef trimmings grade and freezing, processed into restructured steaks with 1% microbial transglutaminase and then analyzed product quality...
July 17, 2017: Asian-Australasian Journal of Animal Sciences
https://www.readbyqxmd.com/read/28728386/the-relationship-between-odd-and-branched-chain-fatty-acids-and-microbial-nucleic-acid-bases-in-rumen
#10
Keyuan Liu, Xiaoyan Hao, Yang Li, Guobin Luo, Yonggen Zhang, Hangshu Xin
Objective: This study aims to identify the relationship between odd- and branched-chain fatty acids (OBCFAs) and microbial nucleic acid base in the rumen, and to establish a model to accurately predict microbial protein flow by using OBCFA. Methods: To develop the regression equations, data on the rumen contents of individual cows was obtained from 2 feeding experiments. In the first experiment, 3 rumen-fistulated dry dairy cows arranged in a 3×3 Latin square were fed diets of differing forage to concentration ratios (F:C)...
June 26, 2017: Asian-Australasian Journal of Animal Sciences
https://www.readbyqxmd.com/read/28728289/-the-protective-effect-of-pigment-epithelial-derived-factor-modified-human-umbilical-cord-mesenchymal-stem-cells-on-rats-with-diabetic-retinopathy
#11
W Zhang, H T Duan, S Chen, Y X Wang, J H Kong, M Dong, X Bi, J Song
Objective: To investigate the effect of pigment epithelial-derived factor (PEDF) gene-modified human umbilical cord mesenchymal stem cells (MSC) on rats with diabetic retinopathy (DR). Methods: Experimental study. Human umbilical cord MSC were transfected by lentivirus packaging PEDF-MSC-green fluorescent protein (GFP) and GFP-MSC plasmid vectors, and the expression of PEDF and vascular endothelial growth factor (VEGF) was measured in the cell culture medium. Fifty adult male Sprague-Dawley rats were randomly divided into five groups: normal control group (group A), DR control group (group B), phosphate-buffered saline (PBS) treated group (group C), GFP-MSC treated group (group D) and PEDF-MSC-GFP treated group (group E), with 10 rats in each group...
July 11, 2017: [Zhonghua Yan Ke za Zhi] Chinese Journal of Ophthalmology
https://www.readbyqxmd.com/read/28727189/inversion-of-cpadh5-enantiopreference-and-altered-chain-length-specificity-for-methyl-3-hydroxyalkanoates
#12
Yunus Ensari, Gaurao V Dhoke, Mehdi D Davari, Marco Bocola, Anna Joelle Ruff, Ulrich Schwaneberg
Expanding the substrate scope of enzymes opens up new routes for synthesis of valuable chemicals. Ketone-functionalized fatty acid derivatives and corresponding chiral alcohols are valuable building blocks for the synthesis of a variety of chemicals including pharmaceuticals. The alcohol dehydrogenase from Candida parapsilosis (cpADH5) catalyzes the reversible oxidations of chiral alcohols and has a broad substrate range; a challenge for cpADH5 is to convert alcohols with small substituents (methyl or ethyl) next to the oxidized alcohol moiety...
July 20, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28727007/best-management-practices-for-newly-weaned-calves-for-improved-health-and-well-being
#13
B K Wilson, C J Richards, D L Step, C R Krehbiel
Morbidity and mortality in newly weaned calves resulting from bovine respiratory disease (BRD) continue to be the most significant problems facing the beef industry. Morbidity attributed to BRD accounts for approximately 75% of total feedlot morbidity. Several experiments have documented the economic impacts of BRD. Direct costs attributable to BRD include death loss, treatment and labor costs, and prevention costs, while indirect costs associated with BRD include decreased growth performance and feed efficiency, increased days on feed, and decreased carcass merit and market value...
May 2017: Journal of Animal Science
https://www.readbyqxmd.com/read/28726970/a-homeotropic-main-chain-tolane-type-liquid-crystal-elastomer-film-exhibiting-high-anisotropic-thermal-conductivity
#14
Si-Jia Ge, Ti-Peng Zhao, Meng Wang, Lin-Lin Deng, Bao-Ping Lin, Xue-Qin Zhang, Ying Sun, Hong Yang, Er-Qiang Chen
The development of pure polymeric films with anisotropic thermal conductivities for electronic device packaging applications has attracted intense scientific attention. In order to enhance the polymeric film's normal-direction thermal conductivity, homeotropic alignment of macromolecular chains is the primary concern. One of the promising preparation strategies is to perform in situ photopolymerization of homeotropic-oriented liquid crystal monomers. In this work, we design and synthesize a novel tolane-core thiol-ene-tailed liquid crystal monomer...
July 20, 2017: Soft Matter
https://www.readbyqxmd.com/read/28726959/association-of-cultured-myotubes-and-fasting-plasma-metabolite-profiles-with-mitochondrial-dysfunction-in-type-2-diabetes-subjects
#15
Mohamad Hafizi Abu Bakar, Mohamad Roji Sarmidi
Accumulating evidence implicates mitochondrial dysfunction-induced insulin resistance in skeletal muscle as the root cause for the greatest hallmarks of type 2 diabetes (T2D). However, the identification of specific metabolite-based markers linked to mitochondrial dysfunction in T2D has not been adequately addressed. Therefore, we sought to identify the markers-based metabolomics for mitochondrial dysfunction associated with T2D. First, a cellular disease model was established using human myotubes treated with antimycin A, an oxidative phosphorylation inhibitor...
July 20, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28726771/rapid-elicitation-of-broadly-neutralizing-antibodies-to-hiv-by-immunization-in-cows
#16
Devin Sok, Khoa M Le, Melissa Vadnais, Karen Saye-Francisco, Joseph G Jardine, Jonathan Torres, Zachary T Berndsen, Leopold Kong, Robyn Stanfield, Jennifer Ruiz, Alejandra Ramos, Chi-Hui Liang, Patricia L Chen, Michael F Criscitiello, Waithaka Mwangi, Ian A Wilson, Andrew B Ward, Vaughn V Smider, Dennis R Burton
No immunogen to date has reliably elicited broadly neutralizing antibodies to HIV in humans or animal models. Advances in the design of immunogens (BG505 SOSIP) that antigenically mimic the HIV envelope glycoprotein (Env)(1) have improved the elicitation of potent isolate-specific antibody responses in rabbits(2) and macaques(3), but so far failed to induce broadly neutralizing antibodies. One possible contributor to this failure is that the relevant antibody repertoires are poorly suited to target somewhat occluded conserved epitope regions on Env relative to exposed variable epitopes...
July 20, 2017: Nature
https://www.readbyqxmd.com/read/28726744/future-protein-supply-and-demand-strategies-and-factors-influencing-a-sustainable-equilibrium
#17
REVIEW
Maeve Henchion, Maria Hayes, Anne Maria Mullen, Mark Fenelon, Brijesh Tiwari
A growing global population, combined with factors such as changing socio-demographics, will place increased pressure on the world's resources to provide not only more but also different types of food. Increased demand for animal-based protein in particular is expected to have a negative environmental impact, generating greenhouse gas emissions, requiring more water and more land. Addressing this "perfect storm" will necessitate more sustainable production of existing sources of protein as well as alternative sources for direct human consumption...
July 20, 2017: Foods (Basel, Switzerland)
https://www.readbyqxmd.com/read/28726150/inhibition-mechanism-of-cdk-2-and-gsk-3%C3%AE-by-a-sulfamoylphenyl-derivative-of-indoline-a-molecular-dynamics-study
#18
Przemysław Czeleń
A good understanding of the inhibition mechanism of enzymes exhibiting high levels of similarity is the first step to the discovery of new drugs with selective potential. Examples of such proteins include glycogen synthase kinase-3 (GSK-3β) and cyclin-dependent kinase 2 (CDK-2). This article reports the mechanism of such enzyme inhibition as analyzed by an indoline sulfamylophenyl derivative (CHEMBL410072). Previous work has shown that such compounds exhibit selective properties towards their biological targets...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28725571/application-of-a-diagnostic-methodology-by-quantification-of-26-0-lysophosphatidylcholine-in-dried-blood-spots-for-japanese-newborn-screening-of-x-linked-adrenoleukodystrophy
#19
Chen Wu, Takeo Iwamoto, Junko Igarashi, Takashi Miyajima, Mohammad Arif Hossain, Hiroko Yanagisawa, Keiko Akiyama, Haruo Shintaku, Yoshikatsu Eto
X-linked adrenoleukodystrophy (X-ALD) is a rare inherited metabolic disease that results in the accumulation of very long chain fatty acids (VLCFA) in plasma and all tissues. Recent studies regarding cerebral X-ALD (CALD) treatment emphasize the importance of its early diagnosis. 26:0 lysophosphatidylcholine (LysoPC) is a sensitive biomarker for newborn screening of X-ALD, while its application for Japanese DBS is unclear. Therefore, we evaluated the feasibility of 20:0 LysoPC and 24:0 LysoPC along with 26:0 LysoPC for diagnosing X-ALD in a cohort of newborns (n = 604), healthy adults (n = 50) and patients (n = 4)...
September 2017: Molecular Genetics and Metabolism Reports
https://www.readbyqxmd.com/read/28725265/two-bifunctional-enzymes-from-the-marine-protist-thraustochytrium-roseum-biochemical-characterization-of-wax-ester-synthase-acyl-coa-diacylglycerol-acyltransferase-activity-catalyzing-wax-ester-and-triacylglycerol-synthesis
#20
Nannan Zhang, Zejing Mao, Ling Luo, Xia Wan, Fenghong Huang, Yangmin Gong
BACKGROUND: Triacylglycerols (TAGs) and wax esters (WEs) are important neutral lipids which serve as energy reservoir in some plants and microorganisms. In recent years, these biologically produced neutral lipids have been regarded as potential alternative energy sources for biofuel production because of the increased interest on developing renewable and environmentally benign alternatives for fossil fuels. In bacteria, the final step in TAG and WE biosynthetic pathway is catalyzed by wax ester synthase/acyl coenzyme A (acyl-CoA):diacylglycerol acyltransferase (WS/DGAT)...
2017: Biotechnology for Biofuels
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