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https://www.readbyqxmd.com/read/29775936/from-hit-to-lead-structure-based-discovery-of-naphthalene-1-sulfonamide-derivatives-as-potent-and-selective-inhibitors-of-fatty-acid-binding-protein-4
#1
Ding-Ding Gao, Hui-Xia Dou, Hai-Xia Su, Ming-Ming Zhang, Ting Wang, Qiu-Feng Liu, Hai-Yan Cai, Hai-Peng Ding, Zhuo Yang, Wei-Liang Zhu, Ye-Chun Xu, He-Yao Wang, Ying-Xia Li
Fatty acid binding protein 4 (FABP4) plays a critical role in metabolism and inflammatory processes and therefore is a potential therapeutic target for immunometabolic diseases such as diabetes and atherosclerosis. Herein, we reported the identification of naphthalene-1-sulfonamide derivatives as novel, potent and selective FABP4 inhibitors by applying a structure-based design strategy. The binding affinities of compounds 16dk, 16do and 16du to FABP4, at the molecular level, are equivalent to or even better than that of BMS309403...
May 9, 2018: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29775655/confocal-raman-microspectroscopy-as-an-alternative-to-differential-scanning-calorimetry-to-detect-the-impact-of-emulsifiers-and-formulations-on-stratum-corneum-lipid-conformation
#2
Ziwei Zhang, Dominique Jasmin Lunter
The purpose of this study was to investigate the impact of emulsifiers and formulations on stratum corneum (SC) lipid conformation and evaluate confocal Raman microspectroscopy (CRM) as an alternative method to differential scanning calorimetry (DSC) in this research context. To this end, four different formulations were used: three conventional creams that contained ionic and/or non-ionic emulsifiers and one surfactants-free emulsion stabilized by a polymeric emulsifier. Additionally, all emulsifiers were tested in aqueous solutions/dispersions in the respective concentrations as present in the formulations...
May 15, 2018: European Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/29775292/entropy-as-a-driver-of-selectivity-for-inhibitor-binding-to-histone-deacetylase-6
#3
Nicholas J Porter, Florence F Wagner, David W Christianson
Among the metal-dependent histone deacetylases, the class IIb isozyme HDAC6 is remarkable because of its role in the regulation of microtubule dynamics in the cytosol. Selective inhibition of HDAC6 results in microtubule hyperacetylation, leading to cell cycle arrest and apoptosis, which is a validated strategy for cancer chemotherapy and the treatment of other disorders. HDAC6 inhibitors generally consist of a Zn2+ -binding group such as a hydroxamate, a linker, and a capping group; the capping group is a critical determinant of isozyme selectivity...
May 18, 2018: Biochemistry
https://www.readbyqxmd.com/read/29775190/phosphonium-carbosilane-dendrimers-interaction-with-a-simple-biological-membrane-model
#4
Dominika Wrobel, Radka Kubikova, Monika Müllerová, Tomas Strašák, Květoslav RůŽička, Michal Fulem, Jan Maly
The influence of three generations of five different phosphonium carbosilane dendrimers and one ammonium carbosilane dendrimer as a reference (PMe3, PBu3, P(Et2)2(CH2)3OH, PPh3, P(MeOPh)3 and NMe3, peripheral functional groups) on dimyristoylphosphatidylcholine (DMPC) or a lipid mixture dimyristoylphosphatidylcholine/dimyristoylphosphatidylglycerol (DMPC/DMPG) of liposomes was studied by fluorescence polarization measurements and differential scanning calorimetry. All types of dendrimers interacted with neutral as well as negatively charged liposomes, but the strength and observed influence were different...
May 18, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29773384/thermal-conformational-and-rheological-properties-of-%C3%AE%C2%BA-carrageenan-sodium-stearoyl-lactylate-gels-and-solutions
#5
M C Ortiz-Tafoya, Agnès Rolland-Sabaté, Catherine Garnier, Josefina Valadez-García, Alberto Tecante
Polysaccharide-surfactant blends are widely used in foods. However, their possible mutual interactions have not been extensively studied. The purpose of this work was to examine how the anionic surfactant sodium stearoyl lactylate (SSL) affects different properties of κ-carrageenan solutions and gels. Rheometry, differential scanning calorimetry, asymmetrical flow field-flow fractionation coupled with multiangle laser light scattering, among others, were used to determine the flow and viscoelastic behavior, thermal transitions, and conformation changes, respectively...
August 1, 2018: Carbohydrate Polymers
https://www.readbyqxmd.com/read/29773364/homogeneous-synthesis-of-cellulose-acrylate-g-poly-n-alkyl-acrylate-solid-solid-phase-change-materials-via-free-radical-polymerization
#6
Yong-Qiang Qian, Na Han, Yi-Wen Bo, Lin-Li Tan, Long-Fei Zhang, Xing-Xiang Zhang
A novel solid-solid phase change materials, namely, cellulose acrylate-g-poly (n-alkyl acrylate) (CA-g-PAn) (n = 14, 16 and 18) were successfully synthesized by free radical polymerization in N, N-dimethylacetamide (DMAc). The successful grafting was confirmed by fourier transform infrared spectra (FT-IR) and nuclear magnetic resonance (NMR). The properties of the CA-g-PAn copolymers were investigated by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA). The phase change temperatures and the melting enthalpies of CA-g-PAn copolymers are in the range of 10...
August 1, 2018: Carbohydrate Polymers
https://www.readbyqxmd.com/read/29772733/effect-of-babassu-natural-filler-on-pbat-phb-biodegradable-blends-an-investigation-of-thermal-mechanical-and-morphological-behavior
#7
Vinicius C Beber, Silvio de Barros, Mariana D Banea, Markus Brede, Laura H de Carvalho, Ron Hoffmann, Anna Raffaela M Costa, Elieber B Bezerra, Ingridy D S Silva, Katharina Haag, Katharina Koschek, Renate M R Wellen
Blending of biodegradable polymers in combination with low-price organic fillers has proven to be a suitable approach to produce cost-effective composites in order to address pollution issues and develop products with superior mechanical properties. In the present research work PBAT/PHB/Babassu composites with 25, 50, and 75% of each polymer and 20% of Babassu were produced by melting extrusion. Their thermal, mechanical, and morphological behavior was investigated by differential scanning calorimetry (DSC), tensile testing, and scanning electron microscopy (SEM)...
May 16, 2018: Materials
https://www.readbyqxmd.com/read/29772667/evaluation-of-energy-expenditure-and-oxidation-of-energy-substrates-in-adult-males-after-intake-of-meals-with-varying-fat-and-carbohydrate-content
#8
Edyta Adamska-Patruno, Lucyna Ostrowska, Anna Golonko, Barbara Pietraszewska, Joanna Goscik, Adam Kretowski, Maria Gorska
Obesity is a result of positive energy balance. The aim of this study was to measure (in crossover trials) the energy expenditure and oxidation of glucose and lipids, both at the fasting state and after an intake of meals with a varying macronutrient content, in normal-weight and overweight/obese people. In the study, 46 healthy adult males (23 with normal body weight and 23 overweight/obese), aged 21⁻58, were examined. During two consecutive visits, subjects received isocaloric standardized meals (450 kcal) with different content of basic nutrients...
May 16, 2018: Nutrients
https://www.readbyqxmd.com/read/29772514/the-effect-of-polymer-aging-on-the-uptake-of-fuel-aromatics-and-ethers-by-microplastics
#9
Axel Müller, Roland Becker, Ute Dorgerloh, Franz-Georg Simon, Ulrike Braun
Microplastics are increasingly entering marine, limnic and terrestrial ecosystems worldwide, where they sorb hydrophobic organic contaminants. Here, the sorption behavior of the fuel-related water contaminants benzene, toluene, ethyl benzene and xylene (BTEX) and four tertiary butyl ethers to virgin and via UV radiation aged polypropylene (PP) and polystyrene (PS) pellets was investigated. Changes in material properties due to aging were recorded using appropriate polymer characterization methods, such as differential scanning calorimetry, Fourier transform infrared spectroscopy, gel permeation chromatography, X-ray photoelectron spectroscopy, and microscopy...
May 14, 2018: Environmental Pollution
https://www.readbyqxmd.com/read/29772385/optimization-of-collagen-elastin-like-polypeptide-composite-tissue-engineering-scaffolds-using-response-surface-methodology
#10
Bhuvaneswari Gurumurthy, Jason A Griggs, Amol V Janorkar
The ability of a tissue-engineered scaffold to regenerate functional tissues depends on its mechanical and biochemical properties. Though the commonly used collagen scaffolds have good biochemical properties, they fail due to their poor mechanical and physical properties. We have reinforced the collagen matrix with elastin-like polypeptide (ELP) to improve the mechanical and physical properties and optimized the composite composition using a novel statistical method of response surface methodology (RSM). RSM used a central composite design to correlate the 2 input factor variables (collagen and ELP concentrations) and 3 output objectives (tensile strength, elastic modulus, and toughness) using a second order polynomial equation...
May 2, 2018: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/29770216/assessment-of-a-novel-cryoablation-device-for-the-endovascular-treatment-of-cardiac-tachyarrhythmias
#11
John M Baust, Anthony Robilotto, Peter Guerra, Kristi K Snyder, Robert G Van Buskirk, Marc Dubuc, John G Baust
Objectives: Cryoablation is an effective alternative treatment for cardiac arrhythmias offering shortened recovery and reduced side effects. As the use of cryoablation increases, the need for new devices and procedures has emerged. This has been driven by technological limitations including lengthy periods to generate a single lesion (3-5 min), uncertain transmurality, and differential efficacy. Furthermore, due to limited ablation capacity under high heat loads, cryo has had limited success in the treatment of ventricular arrhythmias...
2018: SAGE Open Medicine
https://www.readbyqxmd.com/read/29765904/cyclic-fatigue-resistance-torsional-resistance-and-metallurgical-characteristics-of-m3-rotary-and-m3-pro-gold-niti-files
#12
Eugenio Pedullà, Fabio Lo Savio, Giusy Rita Maria La Rosa, Gabriele Miccoli, Elena Bruno, Silvia Rapisarda, Seok Woo Chang, Ernesto Rapisarda, Guido La Rosa, Gianluca Gambarini, Luca Testarelli
Objectives: To evaluate the mechanical properties and metallurgical characteristics of the M3 Rotary and M3 Pro Gold files (United Dental). Materials and Methods: One hundred and sixty new M3 Rotary and M3 Pro Gold files (sizes 20/0.04 and 25/0.04) were used. Torque and angle of rotation at failure ( n = 20) were measured according to ISO 3630-1. Cyclic fatigue resistance was tested by measuring the number of cycles to failure in an artificial stainless steel canal (60° angle of curvature and a 5-mm radius)...
May 2018: Restorative Dentistry & Endodontics
https://www.readbyqxmd.com/read/29765808/induced-smectic-phase-in-binary-mixtures-of-twist-bend-nematogens
#13
Anamarija Knežević, Irena Dokli, Marin Sapunar, Suzana Šegota, Ute Baumeister, Andreja Lesac
The investigation of liquid crystal (LC) mixtures is of great interest in tailoring material properties for specific applications. The recent discovery of the twist-bend nematic phase (NTB ) has sparked great interest in the scientific community, not only from a fundamental viewpoint, but also due to its potential for innovative applications. Here we report on the unexpected phase behaviour of a binary mixture of twist-bend nematogens. A binary phase diagram for mixtures of imino-linked cyanobiphenyl (CBI) dimer and imino-linked benzoyloxy-benzylidene (BB) dimer shows two distinct domains...
2018: Beilstein Journal of Nanotechnology
https://www.readbyqxmd.com/read/29765095/the-high-efficient-catalytic-properties-for-thermal-decomposition-of-ammonium-perchlorate-using-mesoporous-znco-2-o-4-rods-synthesized-by-oxalate-co-precipitation-method
#14
Xuechun Xiao, Bingguo Peng, Linfeng Cai, Xuanming Zhang, Sirui Liu, Yude Wang
Mesoporous ZnCo2 O4 rods have been successfully prepared via oxalate co-precipitation method without any template. The nano-sized spinel crystallites connected together to form mesoporous structure by annealing homogeneous complex oxalates precursor at a low rate of heating. It is found that the low anneal rate plays an important role for the formation of mesoporous ZnCo2 O4 rods. The effects of the heat temperature on the phase, morphology and catalytic properties of the products were studied. The XRD, SEM TEM, and N2 absorption/desorption have been done to obtain compositional and morphological information as well as BET surface area of the as-prepared sample...
May 15, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29764934/structure-specific-recognition-protein-1-ssrp1-is-an-elongated-homodimer-that-binds-histones
#15
Gabriele Marcianò, Stefano Da Vela, Giancarlo Tria, Dmitri I Svergun, Olwyn Byron, Danny T Huang
The histone chaperone complex facilitates chromatin transcription (FACT) plays important roles in DNA repair, replication, and transcription. In the formation of this complex, structure-specific recognition protein-1 (SSRP1) heterodimerizes with suppressor of Ty 16 (SPT16). SSRP1 also has SPT16-independent functions, but how SSRP1 functions alone remains elusive. Here, using analytical ultracentrifugation (AUC) and small-angle X-ray scattering (SAXS) techniques, we characterized human SSRP1 and that from the amoeba Dictyostelium discoideum and show that both orthologs form an elongated homodimer in solution...
May 15, 2018: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/29762890/synthesis-and-characterization-of-4-1-2-4-triazole-5-yl-furazan-derivatives-as-high-performance-insensitive-energetic-materials
#16
Xu Zhen, Guangbin Cheng, Hongwei Yang, Jiaheng Zhang, Jean'ne M Shreeve
3-Nitro-4-(5-nitro-1,2,4-triazol-3-yl)furazan (2), N,N'-bis(trinitroethyl)-3,5'-diamino-4-(1,2,4-triazol-3-yl)furazan (3), N,N'-bis(trinitroethyl)-3,5'-dinitramino-4-(1,2,4-triazol-3-yl)furazan (4) and eighteen nitrogen-rich salts (5a, 5b,5d⁓5i, 5g-1, 6a⁓6i) were designed and synthesized. These 4-(1,2,4-triazole-5-yl)furazan derivatives were fully characterized by IR and NMR spectra, elemental analysis, and differential scanning calorimetry (DSC). The solid-state structures of 2, 5d, 5e, 5h, 5g-1, 6g, and 6i were confirmed via single crystal X-ray analysis...
May 15, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29762722/calfitter-a-web-server-for-analysis-of-protein-thermal-denaturation-data
#17
Stanislav Mazurenko, Jan Stourac, Antonin Kunka, Sava Nedeljkovic, David Bednar, Zbynek Prokop, Jiri Damborsky
Despite significant advances in the understanding of protein structure-function relationships, revealing protein folding pathways still poses a challenge due to a limited number of relevant experimental tools. Widely-used experimental techniques, such as calorimetry or spectroscopy, critically depend on a proper data analysis. Currently, there are only separate data analysis tools available for each type of experiment with a limited model selection. To address this problem, we have developed the CalFitter web server to be a unified platform for comprehensive data fitting and analysis of protein thermal denaturation data...
May 14, 2018: Nucleic Acids Research
https://www.readbyqxmd.com/read/29762477/characterization-of-curcumin-cyclodextrin-polymer-inclusion-complex-and-investigation-on-its-antioxidant-and-antiproliferative-activities
#18
Jianping Chen, Xiaoming Qin, Saiyi Zhong, Suhua Chen, Weiming Su, Ying Liu
The aims of this study were to characterize the curcumin/cyclodextrin polymer inclusion complex using X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and UV⁻vis spectroscopy, and to determine the antioxidant activity of this complex by methods of scavenging 2,2-azinobis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) radicals assays and 1,1-diphenyl-2-picrylhydrazyl (DPPH) radicals assays. The inhibitory effect of inclusion complex on A375 cells was also investigated by CCK-8 assay, Annexin-V/PI staining assay, and caspase activity assay...
May 15, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/29762253/glucose-tolerance-is-linked-to-postprandial-fuel-use-independent-of-exercise-dose
#19
Nicole M Gilbertson, Natalie Z M Eichner, Monique Francois, Julian M Gaitán, Emily M Heiston, Arthur Weltman, Steven K Malin
PURPOSE: The optimal short-term exercise dose to improve glucose tolerance in relation to metabolic flexibility and/or insulin resistance is unknown. Therefore, we tested if short-term, work-matched continuous (CONT) versus interval (INT) exercise training improves glucose tolerance in part by reducing insulin resistance and increasing metabolic flexibility independent of clinically meaningful fat loss in adults with prediabetes. METHODS: Subjects (age 60.9±1.4y; BMI 33...
May 14, 2018: Medicine and Science in Sports and Exercise
https://www.readbyqxmd.com/read/29762017/the-role-of-structural-enthalpy-in-spherical-nucleic-acid-hybridization
#20
Lam-Kiu Fong, Ziwei Wang, George C Schatz, Erik Luijten, Chad A Mirkin
DNA hybridization onto DNA-functionalized nanoparticle surfaces (e.g., in the form of a spherical nucleic acid (SNA)) is known to be enhanced relative to hybridization free in solution. Surprisingly, via isothermal titration calorimetry, we reveal that this enhancement is enthalpically, as opposed to entropically, dominated by ∼20 kcal/mol. Coarse-grained molecular dynamics simulations suggest that the observed enthalpic enhancement results from structurally confining the DNA on the nanoparticle surface and preventing it from adopting enthalpically unfavorable conformations like those observed in the solution case...
May 15, 2018: Journal of the American Chemical Society
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