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https://www.readbyqxmd.com/read/28732283/deciphering-the-mechanism-of-interaction-of-edifenphos-with-calf-thymus-dna
#1
Ajaz Ahmad, Masood Ahmad
Edifenphos is an important organophosphate pesticide with many antifungal and anti-insecticidal properties but it may cause potential hazards to human health. In this work, we have tried to explore the binding mode of action and mechanism of edifenphos to calf thymus DNA (CT-DNA). Several experiments such as ultraviolet-visible absorption spectra and emission spectroscopy showed complex formation between edifenphos and CT-DNA and low binding constant values supporting groove binding mode. These results were further confirmed by circular dichroism (CD), CT-DNA melting studies, viscosity measurements, density functional theory and molecular docking...
July 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28731710/computational-calorimetry-of-pnipam-cononsolvency-in-water-methanol-mixtures
#2
Cahit Dalgicdir, Francisco Rodriguez-Ropero, Nico F A van der Vegt
We revisit the mechanism for cononsolvency of PNIPAM in water/methanol mixtures. Using extensive molecular dynamics simulations we calculate the calorimetric enthalpy of the PNIPAM collapse transition and observe a unique fingerprint of PNIPAM cononsolvency which is analysed in terms of microscopic interactions. We find that polymer hydration is the determining factor for PNIPAM collapse in the cononsolvency regime. In particular, it is shown that methanol frustrates the ability of water to form hydrogen bonds with the amide proton and therefore causes polymer collapse...
July 21, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28731613/polyol-structure-influences-enzymatic-hydrolysis-of-bio-based-2-5-furandicarboxylic-acid-fdca-polyesters
#3
Karolina Haernvall, Sabine Zitzenbacher, Hassan Amer, Michael Thomas Zumstein, Michael Sander, Kristopher McNeill, Motonori Yamamoto, Michael Bernhard Schick, Doris Ribitsch, Georg M Guebitz
Polyesters of 2,5-furan dicarboxylic acid (FDCA) have gained attention since they can be regarded as the bio-based alternatives to the petroleum based polyesters of terephthalic acid. However, only little is known about the biodegradation and enzymatic hydrolysis of FDCA-based polyesters. This work aimed to investigate the influence of different polyols on enzymatic hydrolysis of FDCA-based polyesters. A series of polyesters containing various polyols were synthetized and analysed regarding susceptibility to enzymatic hydrolysis by cutinase 1 from Thermobifida cellulosilytica (Thc_Cut1)...
July 21, 2017: Biotechnology Journal
https://www.readbyqxmd.com/read/28731343/-roller-wheel-pt-containing-small-molecules-and-the-impact-of-rollers-on-material-crystallinity-electronic-properties-and-solar-cell-performance
#4
Wenhan He, Maksim Y Livshits, Diane A Dickie, Zhen Zhang, Luis E Mejiaortega, Jeffrey J Rack, Qin Wu, Yang Qin
We report the synthesis, characterization and detailed comparison of a series of novel Pt-bisacetylide containing conjugated small molecules possessing an unconventional "roller-wheel" shaped structure that is distinctly different from the "dumbbell" designs in traditional Pt-bisacetylide containing conjugated polymers and small molecules. The relationship between the chemical nature and length of the "rollers" and the electronic and physical properties of the materials are carefully studied by steady state spectroscopy, cyclic voltammetry, differential scanning calorimetry, single-crystal X-ray diffraction, transient absorption spectroscopy, theoretical calculation and device application...
July 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28730728/beneficial-long-term-antidiabetic-actions-of-n-and-c-terminally-modified-analogues-of-apelin-13-in-diet-induced-obese-diabetic-mice
#5
V Parthsarathy, C Hogg, P R Flatt, F P M O'Harte
AIMS: This study investigated the chronic effects of twice daily administration of stable apelin analogues, apelin-13 amide and (pGlu)apelin-13 amide, on metabolic parameters in glucose intolerant and insulin resistant diet-induced obese (DIO) mice fed a high-fat diet for 150 days. STUDY DESIGN & METHODS: Groups of mice received twice daily (09:00 and 17:00 h) injections of saline vehicle, apelin-13 amide, (pGlu)apelin-13 amide or exendin-4(1-39) for 28 days (all at 25 nmol/kg)...
July 20, 2017: Diabetes, Obesity & Metabolism
https://www.readbyqxmd.com/read/28729697/identification-and-structural-characterization-of-lytu-a-unique-peptidoglycan-endopeptidase-from-the-lysostaphin-family
#6
Vytas Raulinaitis, Helena Tossavainen, Olli Aitio, Jarmo T Juuti, Keiichi Hiramatsu, Vesa Kontinen, Perttu Permi
We introduce LytU, a short member of the lysostaphin family of zinc-dependent pentaglycine endopeptidases. It is a potential antimicrobial agent for S. aureus infections and its gene transcription is highly upregulated upon antibiotic treatments along with other genes involved in cell wall synthesis. We found this enzyme to be responsible for the opening of the cell wall peptidoglycan layer during cell divisions in S. aureus. LytU is anchored in the plasma membrane with the active part residing in the periplasmic space...
July 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28727856/systematic-studies-of-the-interactions-between-a-model-polyphenol-compound-and-microbial-%C3%AE-glucosidases
#7
Viviam M da Silva, Juliana A P Sato, Juscemácia N Araujo, Fabio M Squina, João R C Muniz, Karin A Riske, Wanius Garcia
Lignin is a major obstacle for cost-effective conversion of cellulose into fermentable sugars. Non-productive adsorption onto insoluble lignin fragments and interactions with soluble phenols are important inhibition mechanisms of cellulases, including β-glucosidases. Here, we examined the inhibitory effect of tannic acid (TAN), a model polyphenolic compound, on β-glucosidases from the bacterium Thermotoga petrophila (TpBGL1 and TpBGL3) and archaeon Pyrococcus furiosus (PfBGL1). The results revealed that the inhibition effects on β-glucosidases were TAN concentration-dependent...
2017: PloS One
https://www.readbyqxmd.com/read/28727460/2d-organic-superlattice-promoted-via-combined-action-of-%C3%AF-%C3%AF-stacking-and-dipole-dipole-interaction-in-discotic-liquid-crystals
#8
Wanying Zhang, Shuai-Feng Zhang, Zhenhu Zhang, Huanzhi Yang, Ao Zhang, Xingtian Hao, Jianchuang Wang, Chunxiu Zhang, Jialing Pu
A series of discotic liquid crystals based on hexapentyloxytriphenylene (HAT5) have been investigated where one out of the six ether side chains of a triphenylene core was replaced by an ester side chain and named for 5a-5h. During the process of studying these compounds, the characteristic straight line defect of ordered columnar structure was identified by polarizing optical microscopy (POM) and liquid crystal state over a wide temperature range was obtained by differential scanning calorimetry (DSC). Basic phase structure and molecular arrangement were assigned by one-dimensional wide-angle X-ray diffraction (1D WAXD), small angle X-ray scattering (SAXS), two-dimensional wide-angle X-ray diffraction (2D WAXD) and transmission electron microscope (TEM)...
July 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28727087/effects-of-zilpaterol-hydrochloride-on-methane-production-total-body-oxygen-consumption-and-blood-metabolites-in-finishing-beef-steers
#9
K E Hales, A P Foote, D W Brake, T M Brown-Brandl, V M Artegoitia, H C Freetly
An indirect calorimetry experiment was conducted to determine the effects of feeding zilpaterol hydrochloride (ZH) for 20 d on total body oxygen consumption, respiratory quotient, methane production, and blood metabolites in finishing beef steers. Sixteen Angus steers (initial BW = 555 ± 12.7 kg) were individually fed at ad libitum intake and used in a completely randomized design. The model included the fixed effects of dietary treatment, day, and treatment × day. Dry matter intake did not differ between the treatments ( = 0...
July 2017: Journal of Animal Science
https://www.readbyqxmd.com/read/28727050/net-energy-of-hemp-hulls-and-processed-hemp-hull-products-fed-to-growing-pigs-and-the-comparison-of-net-energy-determined-via-indirect-calorimetry-and-calculated-from-prediction-equations
#10
J W Kim, C M Nyachoti
An experiment was conducted to determine the NE of hemp hulls (HH), extruded HH (EHH), and a blended product of HH with pea (HHP) fed to growing pigs using indirect calorimetry (IC) and to determine effects of dietary fiber on heat production (HP) and fasting HP (FHP). Twenty-four growing barrows with an average initial BW of 22.9 ± 1.75 kg were individually housed in adjustable metabolism crates. Pigs were randomly allotted to 1 of 4 dietary treatments with 6 replicates per treatment. A corn-soybean meal basal diet was prepared...
June 2017: Journal of Animal Science
https://www.readbyqxmd.com/read/28727009/effects-of-energy-supplementation-on-energy-losses-and-nitrogen-balance-of-steers-fed-green-chopped-wheat-pasture-i-calorimetry
#11
A L Shreck, P J Ebert, E A Bailey, J S Jennings, K D Casey, B E Meyer, N A Cole
Cattle grazing wheat pasture in the southern Great Plains are sometimes fed an energy supplement; however, the benefits of supplementation on nutrient balance, energy metabolism, and greenhouse gas emissions have not been elucidated. Therefore, we used 10 British crossbred steers (206 ± 10.7 kg initial BW) in a respiration calorimetry study to evaluate the effects of energy supplementation on energy losses, N balance, and nutrient digestibility of steers fed green-chopped wheat forage. The study design was an incomplete replicated 4 × 4 Latin square with treatments in a 2 × 2 factorial arrangement...
May 2017: Journal of Animal Science
https://www.readbyqxmd.com/read/28726924/peculiarities-of-thermal-denaturation-of-ompf-porin-from-yersinia-ruckeri
#12
Olga D Novikova, Dmitry K Chistyulin, Valentina A Khomenko, Evgeny V Sidorin, Natalya Yu Kim, Nina M Sanina, Olga Yu Portnyagina, Tamara F Solov'eva, Vladimir N Uversky, Valery L Shnyrov
Irreversible denaturation of membrane proteins in detergent solutions is similar to unfolding of water-soluble multidomain proteins and represents a complex, multistage process. Pore-forming proteins of Gram-negative bacteria are heat-modifiable proteins, i.e., proteins altering their molecular forms (trimers or monomers), and accordingly, their electrophoretic mobilities depending upon denaturation conditions. There are still some contradictory data on the peculiarities of the conformational changes in the porin structure with temperature...
July 20, 2017: Molecular BioSystems
https://www.readbyqxmd.com/read/28726411/temperature-dependent-partitioning-of-c152-in-binary-phosphatidylcholine-membranes-and-mixed-phosphatidylcholine-phosphatidylethanolamine-membranes
#13
Christine A Gobrogge, Victoria A Kong, Robert Allan Walker
Time-resolved fluorescence and differential scanning calorimetry were used to determine the partitioning of coumarin 152 (C152) into large unilamellar vesicles composed of binary mixtures of two phosphatidylcholines (12:0/12:0 DLPC and 14:0/14:0 DMPC) and vesicles composed of binary mixtures of a phosphatidylcholine and a phosphatidylethanolamine (14:0/14:0 DMPC and 14:0/14:0 DMPE). Differential scanning calorimetry showed that both DLPC/DMPC and DMPC/DMPE are miscible in lipid vesicles. Time-resolved fluorescence indicated that C152 partitioning into DLPC/DMPC mixtures showed nearly ideal behavior that was described with weighted contributions from C152 partitioning into pure DLPC and pure DMPC vesicles...
July 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28726390/glycolipid-biosurfactants-activate-dimerize-and-stabilize-t-lanuginosus-lipase-in-a-ph-dependent-fashion
#14
Jens Kvist Madsen, Jorn Dovling Kaspersen, Camilla Bertel Andersen, Jannik Nedergaard Pedersen, Kell Kleiner Andersen, Jan Skov Pedersen, Daniel Erik Otzen
We present a study of the interactions between the lipase from Thermomyces lanuginosus (TlL) and the two microbially produced biosurfactants (BS), rhamnolipid (RL) and sophorolipid (SL). Both RL and SL are glycolipids, but RL is anionic while SL is a mixture of anionic and non-ionic species. We investigate the interactions of RL and SL with TlL at pH 6 and 8 and observe different effects at the two pH values. At pH 8, neither RL nor SL had any major effect on TlL stability and activity. At pH 6, in contrast, both surfactants increase TlL's thermal stability and fluorescence and activity measurements indicate interfacial activation of TlL, resulting in 3- and 6-fold improved activity in SL and RL, respectively...
July 20, 2017: Biochemistry
https://www.readbyqxmd.com/read/28726091/modification-of-human-serum-albumin-under-induced-oxidation
#15
M G Gorobets, L A Wasserman, A D Vasilyeva, A V Bychkova, P G Pronkin, A E Bugrova, M I Indeykina, N G Shilkina, M L Konstantinova, A S Kononikhin, E N Nikolaev, M A Rosenfeld
For the first time, by using the complex of physicochemical methods (mass-spectrometry, differential scanning calorimetry, spectrofluorimetry, method of spectral and fluorescent probes, dynamic light scattering, and UV spectrophotometry), the oxidation-mediated modification of chemical and spatial structure of albumin has been studied. All albumin structural regions are subjected to oxidation, methionine and aromatic amino acids primarily involved in oxidation. The albumin melting shows a decrease in thermal stabilization of the structure and changing of aggregation upon oxidation...
May 2017: Doklady. Biochemistry and Biophysics
https://www.readbyqxmd.com/read/28725868/physico-mechanical-thermal-and-morphological-properties-of-furfuryl-alcohol-2-ethylhexyl-methacrylate-halloysite-nanoclay-wood-polymer-nanocomposites-wpncs
#16
Md Rezaur Rahman, Sinin Hamdan, Josephine Chang Hui Lai, Mohammad Jawaid, Fahmi Asyadi Bin Md Yusof
In this study, the physical, morphological, mechanical and thermal properties of furfuryl alcohol/2-ethylhexyl methacrylate/halloysite nanoclay wood polymer nanocomposites (FA-co-EHMA-HNC WPNCs) were investigated. FA-co-EHMA-HNC WPNCs were prepared via an impregnation method and the properties of the nanocomposites were characterized through the weight percent gain, Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), three-point flexural test, dynamic mechanical thermal analysis (DMTA), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) analysis and moisture absorption test...
July 2017: Heliyon
https://www.readbyqxmd.com/read/28725139/hybrid-polymeric-matrices-for-oral-modified-release-of-desvenlafaxine-succinate-tablets
#17
Wael Samy, Ayman Elnoby, Hanan M El-Gowelli, Nazik Elgindy
Purpose: Desvenlafaxine succinate (DSV) is a water soluble anti-depressant drug, which is rapidly absorbed after oral administration exaggerating its side effects. The current work aimed to prepare controllable release DSV matrix to reduce DSV side effects related to its initial burst. Methods: Fifteen DSV matrix formulations were prepared using different polymers, polymer/drug ratios and matrix excipients and characterized using Differential Scanning Calorimetry (DSC), infrared (IR) spectroscopy, water uptake and in vitro DSV release...
July 2017: Saudi Pharmaceutical Journal: SPJ: the Official Publication of the Saudi Pharmaceutical Society
https://www.readbyqxmd.com/read/28725057/efficient-generation-of-single-domain-antibodies-with-high-affinities-and-enhanced-thermal-stabilities
#18
Naoya Shinozaki, Ryuji Hashimoto, Kiichi Fukui, Susumu Uchiyama
Single domain antibodies (sdAbs), made of natural single variable regions of camelid or cartilaginous fish antibodies, or unpaired variable regions of mouse or human IgGs, are some of the more promising biologic modalities. However, such conventional sdAbs have difficulties of either using unwieldy animals for immunization or having high affinity deficiencies. Herein, we offer a versatile method to generate rabbit variable domain of heavy chain (rVH) derived sdAbs with high affinities (K D values of single digit nM or less) and enhanced thermal stabilities (equal to or even higher than those of camelid derived sdAbs)...
July 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28724964/highly-selective-tungstate-transporter-protein-tupa-from-desulfovibrio-alaskensis-g20
#19
Ana Rita Otrelo-Cardoso, Rashmi R Nair, Márcia A S Correia, Raquel S Correia Cordeiro, Alejandro Panjkovich, Dmitri I Svergun, Teresa Santos-Silva, Maria G Rivas
Molybdenum and tungsten are taken up by bacteria and archaea as their soluble oxyanions through high affinity transport systems belonging to the ATP-binding cassette (ABC) transporters. The component A (ModA/TupA) of these transporters is the first selection gate from which the cell differentiates between MoO4(2-), WO4(2-) and other similar oxyanions. We report the biochemical characterization and the crystal structure of the apo-TupA from Desulfovibrio desulfuricans G20, at 1.4 Å resolution. Small Angle X-ray Scattering data suggests that the protein adopts a closed and more stable conformation upon ion binding...
July 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28724509/youth-oriented-activity-trackers-comprehensive-laboratory-and-field-based-validation
#20
John R Sirard, Brittany Masteller, Patty S Freedson, Albert Mendoza, Amanda Hickey
BACKGROUND: Commercial activity trackers are growing in popularity among adults and some are beginning to be marketed to children. There is, however, a paucity of independent research examining the validity of these devices to detect physical activity of different intensity levels. OBJECTIVES: The purpose of this study was to determine the validity of the output from 3 commercial youth-oriented activity trackers in 3 phases: (1) orbital shaker, (2) structured indoor activities, and (3) 4 days of free-living activity...
July 19, 2017: Journal of Medical Internet Research
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