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https://www.readbyqxmd.com/read/28110167/chiral-separation-of-new-sulfonamide-derivatives-and-evaluation-of-their-enantioselective-affinity-for-human-carbonic-anhydrase-ii-by-microscale-thermophoresis-and-surface-plasmon-resonance
#1
Tiphaine Rogez-Florent, Catherine Foulon, Anne-Sophie Drucbert, Nadège Schifano, Perrine Six, Stéphanie Devassine, Patrick Depreux, Pierre-Marie Danzé, Laurence Goossens, Cécile Danel, Jean-François Goossens
The aim of this study was to develop a method combining chiral separation and biophysical techniques to evaluate the enantioselective affinity of original sulfonamide derivatives towards their therapeutic target, the human carbonic anhydrase II (hACII). The first step consisted in the preparation of the enantiomers by chromatographic separation. The performances of HPLC and Supercritical Fluid Chromatography (SFC) were studied at the analytical scale by optimization of various experimental conditions using adsorbed polysaccharide chiral stationary phases (amylose AD-H and cellulose OD-H)...
January 9, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28109980/carbohydrate-recognition-and-lysis-by-bacterial-peptidoglycan-hydrolases
#2
REVIEW
Martín Alcorlo, Siseth Martínez-Caballero, Rafael Molina, Juan A Hermoso
The major component of bacterial cell wall is peptidoglycan (PG), a complex polymer formed by long glycan chains cross-linked by peptide stems. PG is in constant equilibrium requiring well-orchestrated coordination between synthesis and degradation. The resulting cell-wall fragments can be recycled, act as messengers for bacterial communication, as effector molecules in immune response or as signaling molecules triggering antibiotics resistance. Tailoring and recycling of PG requires the cleavage of different covalent bonds of the PG sacculi by a diverse set of specific enzymes whose activities are strictly regulated...
January 19, 2017: Current Opinion in Structural Biology
https://www.readbyqxmd.com/read/28109837/interspecific-variation-and-plasticity-in-hemoglobin-nitrite-reductase-activity-and-its-correlation-with-oxygen-affinity-in-vertebrates
#3
Frank B Jensen, Rasmus A H Kolind, Natashia S Jensen, Gabriella Montesanti, Tobias Wang
Deoxygenated hemoglobin (Hb) is a nitrite reductase that reduces naturally occurring nitrite to nitric oxide (NO), supplying physiological relevant NO under hypoxic conditions. The nitrite reductase activity is modulated by the allosteric equilibrium between the R and T structures of Hb that also determines oxygen affinity. In the present study we investigated nitrite reductase activity and O2 affinity in Hbs from ten different vertebrate species under identical conditions to disclose interspecific variations and allow an extended test for a correlation between the rate constant for nitrite reduction and O2 affinity...
January 18, 2017: Comparative Biochemistry and Physiology. Part A, Molecular & Integrative Physiology
https://www.readbyqxmd.com/read/28109547/removal-and-attenuation-of-sewage-effluent-combined-tracer-signals-of-phosphorus-caffeine-and-saccharin-in-soil
#4
Samia Richards, Paul J A Withers, Eric Paterson, Colin W McRoberts, Marc Stutter
Contaminants in septic tank effluent (STE) are expected to be removed by the soil system before discharging to the environment. However, potential contaminants such as phosphorus (P), caffeine and artificial sweeteners do find their way to watercourses impacting aquatic eco systems. In this study, the attenuation of STE P, caffeine and saccharin were investigated in untreated soil and in soil with reduced microbial activity, in aqueous solutions and in the complex matrix of STE. Time series sorption and desorption experiments using batch equilibrium and a column experiment of STE P attenuation were conducted...
January 18, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28109239/identifying-two-regimes-of-slip-of-simple-fluids-over-smooth-surfaces-with-weak-and-strong-wall-fluid-interaction-energies
#5
Haibao Hu, Luyao Bao, Nikolai V Priezjev, Kai Luo
The slip behavior of simple fluids over atomically smooth surfaces was investigated in a wide range of wall-fluid interaction (WFI) energies at low shear rates using non-equilibrium molecular dynamics simulations. The relationship between slip and WFI shows two regimes (the strong-WFI and weak-WFI regimes): as WFI decreases, the slip length increases in the strong-WFI regime and decreases in the weak-WFI regime. The critical value of WFI energy that separates these regimes increases with temperature, but it remains unaffected by the driving force...
January 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28109233/communication-analytic-gradients-for-the-complex-absorbing-potential-equation-of-motion-coupled-cluster-method
#6
Zsuzsanna Benda, Thomas-C Jagau
The general theory of analytic energy gradients is presented for the complex absorbing potential equation-of-motion coupled-cluster (CAP-EOM-CC) method together with an implementation within the singles and doubles approximation. Expressions for the CAP-EOM-CC energy gradient are derived based on a Lagrangian formalism with a special focus on the extra terms arising from the presence of the CAP. Our implementation allows for locating minima on high-dimensional complex-valued potential energy surfaces and thus enables geometry optimizations of resonance states of polyatomic molecules...
January 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28108912/the-concepts-of-hope-and-fear-in-the-islamic-thought-implications-for-spiritual-health
#7
Fatemeh Bahmani, Mitra Amini, Seyed Ziaeddin Tabei, Mohamad Bagher Abbasi
The Holy Qur'ān and medieval Islamic writings have many references to "hope" (rajā) and "fear" (khawf) as both single and paired concepts. However, a comprehensive analytical study on these two notions from an Islamic point of view still seems lacking. Both paper and electronic documents related to Islamic and Qur'ānic literature are being used in this study. Also Web resources are searched for keywords of fear, hope and Islam in three languages of Arabic, English and Persian, including Tanzil.net, Almaany...
January 20, 2017: Journal of Religion and Health
https://www.readbyqxmd.com/read/28108886/phase-behaviour-in-complementary-dna-coated-gold-nanoparticles-and-fd-viruses-mixtures-a-numerical-study
#8
Massimiliano Chiappini, Erika Eiser, Francesco Sciortino
A new gel-forming colloidal system based on a binary mixture of fd-viruses and gold nanoparticles functionalized with complementary DNA single strands has been recently introduced. Upon quenching below the DNA melt temperature, such a system results in a highly porous gel state, that may be developed in a new functional material of tunable porosity. In order to shed light on the gelation mechanism, we introduce a model closely mimicking the experimental one and we explore via Monte Carlo simulations its equilibrium phase diagram...
January 2017: European Physical Journal. E, Soft Matter
https://www.readbyqxmd.com/read/28108426/membrane-surface-area-volume-ratio-in-chronic-subdural-haematomas-critical-size-and-potential-post-operative-target
#9
Appukutty Manickam, Laurence Ag Marshman, Ross Johnston
BACKGROUND: It is unknown why some chronic subdural haematomas (CSDH) grow and require surgery, whilst others spontaneously resolve. Although a relatively small CSDH volume (V) reduction may induce resolution, V% reduction is often unreliable in predicting resolution. Whilst CSDH evolve distinctive inner and outer neo- membranes (IM and OM), the OM likely dominates the dynamic growth-resorption equilibrium. If other factors remain constant, one previous hypothesis is that resorption could fail as the surface area (SA):V ratio decreases when CSDH exceed a 'critical size'...
January 17, 2017: World Neurosurgery
https://www.readbyqxmd.com/read/28108412/deciphering-the-mechanistic-insight-into-the-stoichiometric-ratio-dependent-behavior-of-cu-ii-on-bsa-fibrillation
#10
Ajeet Singh, Poulami Datta, Lalit M Pandey
Various metal ions are recently implicated in protein aggregates and are associated with numerous neurodegenerative diseases. In the present work, we have scrutinized the effect of stoichiometric variation of Cu(II) on BSA fibrillation at physiological pH 7.4 through Thioflavin-T dye binding study, residual protein concentration, Fourier Transform Infrared spectroscopy (FTIR), Dynamic Light Scattering (DLS), Atomic Force Microscopy (AFM) and Isothermal Titration Calorimetry (ITC). Fibrillation kinetics was studied through ThT fluorescence, which illustrated dependency on stoichiometric ratio of Cu(II)...
January 17, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28108307/the-impact-of-a-predator-on-the-outcome-of-competition-in-the-three-trophic-food-web
#11
Partha Sharathi Dutta, Bob W Kooi, Ulrike Feudel
We study the effects of predation on the competition of prey populations for two resources in a chemostat. We investigate a variety of small food web compositions: the bi-trophic food web (two resources-two competing prey) and the three-trophic food web (two resources - two prey - generalist predator) comparing different model formulations: substitutable resources and essential resources, namely Liebig's minimum law model (perfect essential resources) and complementary resources formulations. The prediction of the outcome of competition is solely based on bifurcation analysis in which the inflow of resources into the chemostat is used as the bifurcation parameter...
January 17, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/28108163/reducement-of-cadmium-adsorption-on-clay-minerals-by-the-presence-of-dissolved-organic-matter-from-animal-manure
#12
Wenjun Zhou, Lingwei Ren, Lizhong Zhu
Clay minerals are the most popular adsorbents/amendments for immobilizing heavy metals in contaminated soils, but the dissolved organic matter (DOM) in soil environment would potentially affect the adsorption/immobilization capacity of clay minerals for heavy metals. In this study, the effects of DOM derived from chicken manure (CM) on the adsorption of cadmium (Cd(2+)) on two clay minerals, bentonite and zeolite, were investigated. The equilibrium data for Cd(2+) sorption in the absence or presence of CM-DOM could be well-fitted to the Langmuir equation (R(2) > 0...
January 17, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28108081/retention-modeling-and-retention-time-prediction-in-gas-chromatography-and-flow-modulation-comprehensive-two-dimensional-gas-chromatography-the-contribution-of-pressure-on-solute-partition
#13
Antoine Burel, Marie Vaccaro, Yohann Cartigny, Séverine Tisse, Gérard Coquerel, Pascal Cardinael
This study aims at modelling and predicting solute retention in capillary Gas Chromatography (GC) and Flow Modulation comprehensive GC (FM-GCxGC). A new thermodynamic model, taking into account the effects of temperature and pressure, is proposed to describe the variation of the equilibrium partition constant of a solute during its elution. This retention model was challenged with the classical one, and both were applied to: (i) stationary phase film thickness indirect estimation; (ii) retention time (RT) prediction of a set of 11 model polycyclic aromatic hydrocarbons (PAHs) on the SLB-IL60 and DB-35MS columns, in temperature-programmed mode...
January 4, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28108065/assessment-of-central-venous-physiology-of-fontan-circulation-using-peripheral-venous-pressure
#14
Satoshi Masutani, Clara Kurishima, Akiko Yana, Seiko Kuwata, Yoichi Iwamoto, Hirofumi Saiki, Hirotaka Ishido, Hideaki Senzaki
OBJECTIVE: Elevated central venous pressure is a major cause of morbidity and mortality after the Fontan operation. The difference between mean circulatory filling pressure and central venous pressure, a driving force of venous return, is important in determining dynamic changes in central venous pressure in response to changes in ventricular properties or loading conditions. Thus, noninvasive central venous pressure and mean circulatory filling pressure estimation may contribute to optimal management in patients undergoing the Fontan operation...
December 19, 2016: Journal of Thoracic and Cardiovascular Surgery
https://www.readbyqxmd.com/read/28107981/recent-progress-challenges-and-trends-in-trace-determination-of-drug-analysis-using-molecularly-imprinted-solid-phase-microextraction-technology
#15
REVIEW
Saeedeh Ansari, Majid Karimi
The quantification of drugs in biological samples is a significant task for determination of the physiological efficiency in evaluated drugs in the drug discovery. To analysis of the chemical compounds at the trace and ultratrace levels, adequate analytical procedures should be applied. Therefore, sample preparation method undoubtedly is the most important stage in the trace determination process. In spite of the great growth of analytical instrumentation during the recent years, sample preparation is still nowadays considered the impasse of the all analytical procedure, especially in drugs analysis...
March 1, 2017: Talanta
https://www.readbyqxmd.com/read/28107748/tracing-the-sources-and-cycling-of-phosphorus-in-river-sediments-using-oxygen-isotopes-methodological-adaptations-and-first-results-from-a-case-study-in-france
#16
Chiara Pistocchi, Federica Tamburini, Gerard Gruau, André Ferhi, Dominique Trevisan, Jean-Marcel Dorioz
An essential aspect of eutrophication studies is to trace the ultimate origin of phosphate ions (P-PO4) associated with the solid phase of river sediments, as certain processes can make these ions available for algae. However, this is not a straightforward task because of the diversity of allochthonous and autochthonous sources that can supply P-PO4 to river sediments as well as the existence of in-stream processes that can change the speciation of these inputs and obscure the original sources. Here, we present the results of a study designed to explore the potentials, limitations and conditions for the use of the oxygen isotope composition of phosphate (δ(18)Op) extracted from river sediments for this type of tracing...
December 26, 2016: Water Research
https://www.readbyqxmd.com/read/28107621/a-molecular-dynamics-study-of-water-flow-across-multiple-layers-of-pristine-oxidized-and-mixed-regions-of-graphene-oxide
#17
Jon Alexander Lewis Willcox, Hyung J Kim
A molecular dynamics graphene oxide model is used to shed light on commonly overlooked features of graphene oxide membranes. The model features both perpendicular and parallel water flow across multiple sheets of pristine and/or oxidized graphene to simulate "brick-and-mortar" microstructures. Additionally, regions of pristine/oxidized graphene overlap which have thus far been overlooked in the literature are explored. Differences in orientational and hydrogen-bonding features between adjacent layers of water in this mixed region are found to be even more prominent than differences between pristine and oxidized channels...
January 20, 2017: ACS Nano
https://www.readbyqxmd.com/read/28107472/fractionation-of-magnetic-microspheres-in-a-microfluidic-spiral-interplay-between-magnetic-and-hydrodynamic-forces
#18
S Dutz, M E Hayden, U O Häfeli
Magnetic forces and curvature-induced hydrodynamic drag have both been studied and employed in continuous microfluidic particle separation and enrichment schemes. Here we combine the two. We investigate consequences of applying an outwardly directed magnetic force to a dilute suspension of magnetic microspheres circulating in a spiral microfluidic channel. This force is realized with an array of permanent magnets arranged to produce a magnetic field with octupolar symmetry about the spiral axis. At low flow rates particles cluster around an apparent streamline of the flow near the outer wall of the turn...
2017: PloS One
https://www.readbyqxmd.com/read/28106707/association-study-between-polymorphisms-of-the-p53-and-lymphotoxin-alpha-lta-genes-and-the-risk-of-proliferative-vitreoretinopathy-retinal-detachment-in-a-mexican-population
#19
Natalia Quiroz-Casian, David Lozano-Giral, Antonio Miranda-Duarte, Ivan Garcia-Montalvo, Jose L Rodriguez-Loaiza, Juan C Zenteno
PURPOSE: To report the results of an association study between single-nucleotide polymorphisms of the p53 and LTA genes and the risk of proliferative vitreoretinopathy (PVR)/retinal detachment (RD) in a Mexican cohort. METHODS: A total of 380 unrelated subjects were studied, including 98 patients with primary rhegmatogenous RD without PVR, 82 patients with PVR after RD surgery, and 200 healthy, ethnically matched subjects. Genotyping of single-nucleotide polymorphisms rs1042522 (p53 gene) and rs2229094 (LTA gene) was performed by direct nucleotide sequencing...
January 18, 2017: Retina
https://www.readbyqxmd.com/read/28106534/extrinsic-rashba-spin-orbit-coupling-effect-on-silicene-spin-polarized-field-effect-transistors
#20
Nezhat Pournaghavi, Mahdi Esmaeilzadeh, Adib Abrishamifar, Somaieh Ahmadi
Regarding the spin field effect transistor (spin FET) challenges such as mismatch effect in spin injection and insufficient spin life time, we propose a silicene based device which can be a promising candidate to overcome some of those problems. Using non-equilibrium Green���s function method, we investigate the spin-dependent conductance in a zigzag silicene nanoribbon connected to two magnetized leads which are supposed to be either in parallel or anti-parallel configurations. For both configurations, a controllable spin current can be obtained when the Rashba effect is present; thus, we can have a spin filter device...
January 20, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
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