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https://www.readbyqxmd.com/read/29166542/identification-of-cytochrome-p450-cyp-isoforms-involved-in-the-metabolism-of-artocarpin-and-assessment-of-its-drug-drug-interaction-ddi
#1
Wei Qu, Xuezheng Liu
Artocarpin isolated from an agricultural plant Artocarpus communis has shows anti-inflammation and anticancer activities. In this study, we utilized recombinant human UDP-glucuronosyltransferasesupersomes (UGTs) and human liver microsomes (HLMs) to explore its inhibitory effect on UGTs and cytochrome p450 enzymes(CYPs). Chemical inhibition studies and screening assays with recombinant human CYPs were used to identify if CYP isoform is involved in artocarpin metabolism. Artocarpin showed strong inhibition against UGT1A3, UGT1A6, UGT1A7, UGT1A8, UGT1A9, UGT1A10, UGT2B7, CYP2C8 and CYP3A4...
November 22, 2017: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/29166531/a-polysaccharide-fraction-extracted-from-pleurotus-ostreatus-mycelial-biomass-inhibit-sarcoma-180-tumor
#2
Elisabeth Wisbeck, Jean M Facchini, Endi P Alves, Marcia L L Silveira, Regina M M Gern, Jorge L Ninow, Sandra A Furlan
Fungi of Pleurotus genus have attracted a great interest due to their medicinal properties such as anti-inflammatory, antimicrobial and antitumor. These properties are attributed mainly to polysaccharides synthesized by Pleurotus. This work aimed to study the mycelial growth of P. ostreatus in submerged culture, evaluating the influence of the initial concentration of substrate (20 and 40 g/L of glucose) and the pH (4 and 6) on kinetic parameters of production of biomass. The effectiveness of different doses (10, 30 and 50 mg/kg) of a mycelium polysaccharide fraction extracted from P...
2017: Anais da Academia Brasileira de Ciências
https://www.readbyqxmd.com/read/29166391/early-kinetics-of-serum-interleukine-17a-and-infarct-size-in-patients-with-reperfused-acute-st-elevated-myocardial-infarction
#3
Thomas Bochaton, Nathan Mewton, NDieme Thiam, Fabien Lavocat, Delphine Baetz, Nathalie Dufay, Cyril Prieur, Eric Bonnefoy-Cudraz, Pierre Miossec, Michel Ovize
BACKGROUND: Recently, it was shown that interleukin-17A (IL-17A) is involved in the pathophysiology of reperfusion injury and associated with infarct size (IS) in experimental models of myocardial infarction. Our aim was to evaluate whether the IL-17A serum level and the IL-17A active fraction was correlated with IS in humans. METHODS: 101 patients presenting with a ST-elevated Myocardial Infarction (STEMI) referred for primary percutaneous coronary intervention (PPCI) and 10 healthy controls were included...
2017: PloS One
https://www.readbyqxmd.com/read/29166177/kinetic-behavior-of-campylobacter-jejuni-in-beef-tartare-at-cold-temperatures-and-transcriptomes-related-to-its-survival
#4
Sejeong Kim, Jiyeon Jeong, Heeyoung Lee, Jeeyeon Lee, Soomin Lee, Jimyeong Ha, Yukyoung Choi, Yohan Yoon, Kyoung-Hee Choi
This study was conducted to examine the kinetic behavior of Campylobacter jejuni in raw beef tartare by using mathematical models and to identify genes related to C. jejuni survival at cold temperatures. C. jejuni was inoculated onto beef tartare samples, stored at 4, 10, 15, 25, and 30°C, plated on modified charcoal-cefoperazone-deoxycholate agar, and enumerated. The survival data was fitted to the Weibull model to calculate delta (δ), which is the time required for the first 1-log reduction of the cells...
November 22, 2017: Journal of Food Protection
https://www.readbyqxmd.com/read/29166120/mechanical-response-of-transient-telechelic-networks-with-many-part-stickers
#5
Michelle K Sing, Jorge Ramírez, Bradley D Olsen
A central question in soft matter is understanding how several individual, weak bonds act together to produce collective interactions. Here, gel-forming telechelic polymers with multiple stickers at each chain end are studied through Brownian dynamics simulations to understand how collective interaction of the bonds affects mechanical response of the gels. These polymers are modeled as finitely extensible dumbbells using an explicit tau-leap algorithm and the binding energy of these associations was kept constant regardless of the number of stickers...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166105/electrode-reactions-in-slowly-relaxing-media
#6
Dmitry V Matyushov, Marshall D Newton
Standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate pre-exponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics)...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166088/extraction-of-effective-solid-liquid-interfacial-free-energies-for-full-3d-solid-crystallites-from-equilibrium-md-simulations
#7
L A Zepeda-Ruiz, B Sadigh, A A Chernov, T Haxhimali, A Samanta, T Oppelstrup, S Hamel, L X Benedict, J L Belof
Molecular dynamics simulations of an embedded atom copper system in the isobaric-isenthalpic ensemble are used to study the effective solid-liquid interfacial free energy of quasi-spherical solid crystals within a liquid. This is within the larger context of molecular dynamics simulations of this system undergoing solidification, where single individually prepared crystallites of different sizes grow until they reach a thermodynamically stable final state. The resulting equilibrium shapes possess the full structural details expected for solids with weakly anisotropic surface free energies (in these cases, ∼5% radial flattening and rounded [111] octahedral faces)...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166086/focused-conformational-sampling-in-proteins
#8
Marco Bacci, Cassiano Langini, Jiří Vymětal, Amedeo Caflisch, Andreas Vitalis
A detailed understanding of the conformational dynamics of biological molecules is difficult to obtain by experimental techniques due to resolution limitations in both time and space. Computer simulations avoid these in theory but are often too short to sample rare events reliably. Here we show that the progress index-guided sampling (PIGS) protocol can be used to enhance the sampling of rare events in selected parts of biomolecules without perturbing the remainder of the system. The method is very easy to use as it only requires as essential input a set of several features representing the parts of interest sufficiently...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166077/low-energy-photoelectron-transmission-through-aerosol-overlayers
#9
Stavros Amanatidis, Bruce L Yoder, Ruth Signorell
The transmission of low-energy (<1.8 eV) photoelectrons through the shell of core-shell aerosol particles is studied for liquid squalane, squalene, and di-ethyl-hexyl-sebacate shells. The photoelectrons are exclusively formed in the core of the particles by two-photon ionization. The total photoelectron yield recorded as a function of shell thicknesses (1-80 nm) shows a bi-exponential attenuation. For all substances, the damping parameter for shell thicknesses below 15 nm lies around 8 to 9 nm and is tentatively assigned to the electron attenuation length at electron kinetic energies of ≲1 eV...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166075/a-detailed-balance-model-for-thermionic-emission-from-polyanions-the-case-of-fullerene-dianions
#10
Bruno Concina, Franck Lépine, Christian Bordas
A detailed-balance model for thermionic emission from polyanions has been developed and applied to fullerene dianions. The specificity of this delayed decay process is electron tunneling through the repulsive Coulomb barrier (RCB). An analytical expression of the RCB is derived from electrostatic modeling of the fullerene cage. The reverse process, namely, electron attachment to the singly charged anion, is described by a hard sphere cross section weighted by the Wentzel-Kramers-Brillouin tunneling probability...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166062/nonadiabatic-photodissociation-dynamics-of-the-hydroxymethyl-radical-via-the-2-2-a-3s-rydberg-state-a-four-dimensional-quantum-study
#11
Changjian Xie, Christopher Malbon, David R Yarkony, Hua Guo
The quantum mechanical nonadiabatic photodissociation dynamics of the hydroxymethyl (CH2OH) radical in its lowest absorption band is investigated for the first time on a set of coupled diabatic potential energy surfaces determined by accurately fitting a large set of ab initio data. In this two-state approximation, only the ground and first excited states of CH2OH, which are coupled by conical intersections, are included. The reduced-dimensional dynamical model includes the CO stretch, the COH bend, the HCOH torsion, and the O-H dissociation coordinate...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166031/a-twist-of-the-twist-mechanism-2-iodoxybenzoic-acid-ibx-mediated-oxidation-of-alcohol-revisited-theory-and-experiment
#12
Heming Jiang, Tian-Yu Sun, Xiao Wang, Yaoming Xie, Xinhao Zhang, Yun-Dong Wu, Henry F Schaefer
2-Iodoxybenzoic acid (IBX) is an important species for the oxidation of alcohols to aldehydes or ketones. An often-cited mechanism involving a hypervalent twist as the rate-determining step (RDS) is inconsistent with kinetic isotope effect (KIE) experiments. The computations with larger basis sets reveal that the reductive elimination involving the C-H bond cleavage is the RDS (rate-determining step). Further computational/experimental studies suggest that the reactivity can be improved by adjusting the trans influence with Lewis acids...
November 22, 2017: Organic Letters
https://www.readbyqxmd.com/read/29165999/crystal-growth-with-macromolecular-additives
#13
Alexander G Shtukenberg, Michael D Ward, Bart Kahr
Interactions of macromolecules with growing crystalline surfaces play an important role in biomineralization, determine survival of some organisms at low temperatures, and offer a range of potential industrial applications. The current understanding of crystal growth processes in the presence of macromolecules, including peptides and proteins, is reviewed, with a focus on interactions between macromolecules and surfaces of crystalline materials, macromolecule adsorption on different types of crystal surfaces, crystallization kinetics in the presence of macromolecular additives, macromolecule incorporation, and defect generation...
November 22, 2017: Chemical Reviews
https://www.readbyqxmd.com/read/29165698/nuclear-mrna-degradation-tunes-the-gain-of-the-unfolded-protein-response-in-saccharomyces-cerevisiae
#14
Debasish Sarkar, Sunirmal Paira, Biswadip Das
Unfolded protein response (UPR) is triggered by the accumulation of unfolded proteins in the endoplasmic reticulum (ER), which is accomplished by a dramatic induction of genes encoding ER chaperones. Activation of these genes involves their rapid transcription by Hac1p, encoded by the HAC1 precursor transcript harboring an intron and a bipartite element (3'-BE) in the 3'-UTR. ER stress facilitates intracellular targeting and recruitment of HAC1 pre-mRNA to Ire1p foci (requiring 3'-BE), leading to its non-spliceosomal splicing mediated by Ire1p/Rlg1p...
November 20, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29165657/rotavirus-vaccination-can-be-performed-without-viral-dissemination-in-the-neonatal-intensive-care-unit
#15
Hiroyuki Hiramatsu, Ryota Suzuki, Arisa Nagatani, Hiroko Boda, Masafumi Miyata, Fumihiko Hattori, Hiroki Miura, Ken Sugata, Shigeki Yamada, Satoshi Komoto, Koki Taniguchi, Masaru Ihira, Naoko Nishimura, Takao Ozaki, Tetsushi Yoshikawa
Background: This study was conducted to assess transmissibility of the vaccine strains after RV vaccination in a neonatal intensive care unit (NICU). Methods: Rotateq (RV5) or Rotarix (RV1) was administered to infants admitted to the NICU. Vaccinated infants (VIs, n=19) and unvaccinated infants (UVIs, n=49) whose beds were located in close proximity to the VIs were enrolled in this study. Fecal shedding of vaccine viruses and spreading of the vaccine strains within the NICU were examined using real-time reverse transcriptase polymerase chain reaction (RT-PCR)...
November 20, 2017: Journal of Infectious Diseases
https://www.readbyqxmd.com/read/29165501/a-study-of-the-effectiveness-and-energy-efficiency-of-ultrasonic-emulsification
#16
Wu Li, Thomas S H Leong, Muthupandian Ashokkumar, Gregory J O Martin
Three essential experimental parameters in the ultrasonic emulsification process, namely sonication time, acoustic amplitude and processing volume, were individually investigated, theoretically and experimentally, and correlated to the emulsion droplet sizes produced. The results showed that with a decrease in droplet size, two kinetic regions can be separately correlated prior to reaching a steady state droplet size: a fast size reduction region and a steady state transition region. In the fast size reduction region, the power input and sonication time could be correlated to the volume-mean diameter by a power-law relationship, with separate power-law indices of -1...
November 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29165500/uv-vis-spectrophotometry-of-quinone-flow-battery-electrolyte-for-in-situ-monitoring-and-improved-electrochemical-modeling-of-potential-and-quinhydrone-formation
#17
Liuchuan Tong, Qing Chen, Andrew A Wong, Rafael Gómez-Bombarelli, Alán Aspuru-Guzik, Roy G Gordon, Michael J Aziz
Quinone-based aqueous flow batteries provide a potential opportunity for large-scale, low-cost energy storage due to their composition from earth abundant elements, high aqueous solubility, reversible redox kinetics and their chemical tunability such as reduction potential. In an operating flow battery utilizing 9,10-anthraquinone-2,7-disulfonic acid, the aggregation of an oxidized quinone and a reduced hydroquinone to form a quinhydrone dimer causes significant variations from ideal solution behavior and of optical absorption from the Beer-Lambert law...
November 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29165492/controlling-the-sn-c-bonds-content-in-sno2-cnts-composite-to-form-in-situ-pulverized-structure-for-enhanced-electrochemical-kinetics
#18
Yayi Cheng, Jianfeng Huang, Hui Qi, Liyun Cao, Xiaomin Luo, Jiayin Li, Zhanwei Xu, Jun Yang
The Sn-C bonding content between the SnO2 and CNTs interface was controlled by the hydrothermal method and subsequent heat treatment. Electrochemical analysis found that the SnO2@CNTs with high Sn-C bonding content exhibited much higher capacity contribution from alloying and conversion reaction compared with the low content of Sn-C bonding even after 200 cycles. The high Sn-C bonding content enabled the SnO2 nanoparticles to stabilize on the CNTs surface, realizing an in situ pulverization process of SnO2...
November 22, 2017: Nanoscale
https://www.readbyqxmd.com/read/29165455/isomer-specific-detection-in-the-uv-photodissociation-of-the-propargyl-radical-by-chirped-pulse-mm-wave-spectroscopy-in-a-pulsed-quasi-uniform-flow
#19
Bernadette M Broderick, Nicolas Suas-David, Nureshan Dias, Arthur G Suits
Isomer-specific detection and product branching fractions in the UV photodissociation of the propargyl radical is achieved through the use of chirped-pulse Fourier-transform mm-wave spectroscopy in a pulsed quasi-uniform flow (CPUF). Propargyl radicals are produced in the 193 nm photodissociation of 1,2-butadiene. Absorption of a second photon leads to H atom elimination giving three possible C3H2 isomers: singlets cyclopropenylidene (c-C3H2) and propadienylidene (l-C3H2), and triplet propargylene ((3)HCCCH)...
November 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29165403/multicenter-fx-n-nh%C3%A2-halogen-bonds-x-cl-br-and-n-1-5-qtaim-descriptors-of-the-strength-of-the-x%C3%A2-%C3%A2-%C3%A2-n-interaction
#20
Gabriel J Buralli, Andre N Petelski, Nélida M Peruchena, Gladis L Sosa, Darío J R Duarte
In the present work an in depth deep electronic study of multicenter XBs (FX)n/NH₃ (X = Cl, Br and n = 1-5) is conducted. The ways in which X∙∙∙X lateral contacts affect the electrostatic or covalent nature of the X∙∙∙N interactions are explored at the CCSD(T)/aug-cc-pVTZ level and in the framework of the quantum theory of atoms in molecules (QTAIM). Calculations show that relatively strong XBs have been found with interaction energies lying between -41 and -90 kJ mol(-1) for chlorine complexes, and between -56 and -113 kJ mol(-1) for bromine complexes...
November 22, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
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