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Susan C. Scott Nicole M. Anders Ping He Avelina Hemingway Steven D. Gore Christine L. Hann Michelle A. Rudek 《Biomedical chromatography : BMC》2022,36(3):e5289
The Bcl-2 family small molecule inhibitor navitoclax is being clinically evaluated to treat multiple cancers including lymphoid malignancies and small cell lung cancer. A sensitive and reliable method was developed to quantitate navitoclax in human plasma using liquid chromatography with tandem mass spectrometry with which to perform detailed pharmacokinetic studies. Sample preparation involved protein precipitation using acetonitrile. Separation of navitoclax and the internal standard, navitoclax-d8, was achieved with a Waters Acquity UPLC BEH C18 column using isocratic flow over a 3 min total analytical run time. A SCIEX 4500 triple quadrupole mass spectrometer operated in positive electrospray ionization mode was used for the detection of navitoclax. The assay range was 5–5,000 ng/ml and proved to be accurate (89.5–104.9%) and precise (CV ≤ 11%). Long-term frozen plasma stability for navitoclax at −70°C was at least 43 months. The method was applied for the measurement of total plasma concentration of navitoclax in a patient receiving a 250 mg daily oral dose. 相似文献
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Solvent‐Dependent Structure of the I3− Ion Derived from Photoelectron Spectroscopy and Ab Initio Molecular Dynamics Simulations 下载免费PDF全文
Dr. Naresh K. Jena Ida Josefsson Dr. Susanna K. Eriksson Prof. Anders Hagfeldt Prof. Hans Siegbahn Prof. Olle Björneholm Prof. Håkan Rensmo Dr. Michael Odelius 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(10):4049-4055
Ab initio molecular dynamics (MD) simulations of the solvation of LiI3 in four different solvents (water, methanol, ethanol, and acetonitrile) are employed to investigate the molecular and electronic structure of the I3? ion in relation to X‐ray photoelectron spectroscopy (XPS). Simulations show that hydrogen‐bond rearrangement in the solvation shell is coupled to intramolecular bond‐length asymmetry in the I3? ion. By a combination of charge analysis and I 4 d core‐level XPS measurements, the mechanism of the solvent‐induced distortions has been studied, and it has been concluded that charge localization mediates intermolecular interactions and intramolecular distortion. The approach involving a synergistic combination of theory and experiment probes the solvent‐dependent structure of the I3? ion, and the geometric structure has been correlated with the electronic structure. 相似文献
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Dr. Nan Wang Dr. Shuping Wang Prof. Luping Tang Dr. Lilei Ye Björn Cullbrand Abdelhafid Zehri Dr. Behabitu Ergette Tebikachew Prof. Johan Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(29):6561-6568
Poor bonding strength between nanomaterials and cement composites inevitably lead to the failure of reinforcement. Herein, a novel functionalization method for the fabrication of functionalized graphene oxide (FGO), which is capable of forming highly reliable covalent bonds with cement hydration products, and therefore, suitable for use as an efficient reinforcing agent for cement composites, is discussed. The bonding strength between cement and aggregates was improved more than 21 times with the reinforcement of FGO. The fabricated FGO also demonstrated many important features, including high reliability in cement pastes, good dispersibility, and efficient structural refinement of cement hydration products. With the incorporation of FGO, cement mortar samples demonstrated up to 40 % increased early and ultimate strength. Such results make the fast demolding and manufacture of light constructions become highly possible, and show strong advantages on improving productivity, saving cost, and reducing CO2 emissions in practical applications. 相似文献
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Sachdeva Jaspreet S. Nermoen Anders Korsnes Reidar I. Madland Merete V. 《Transport in Porous Media》2019,128(2):755-795
Transport in Porous Media - The injection of seawater-like brines alters stiffness, strength and time-dependent deformation rates for water-saturated chalks. This study deals with the mechanical... 相似文献
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We present a higher-order cut cell immersed boundary method (IBM) for the simulation of high Mach number flows. As a novelty on a cut cell grid, we evaluate an adaptive local time stepping (LTS) scheme in combination with an artificial viscosity–based shock-capturing approach. The cut cell grid is optimized by a nonintrusive cell agglomeration strategy in order to avoid problems with small or ill-shaped cut cells. Our approach is based on a discontinuous Galerkin discretization of the compressible Euler equations, where the immersed boundary is implicitly defined by the zero isocontour of a level set function. In flow configurations with high Mach numbers, a numerical shock-capturing mechanism is crucial in order to prevent unphysical oscillations of the polynomial approximation in the vicinity of shocks. We achieve this by means of a viscous smoothing where the artificial viscosity follows from a modal decay sensor that has been adapted to the IBM. The problem of the severe time step restriction caused by the additional second-order diffusive term and small nonagglomerated cut cells is addressed by using an adaptive LTS algorithm. The robustness, stability, and accuracy of our approach are verified for several common test cases. Moreover, the results show that our approach lowers the computational costs drastically, especially for unsteady IBM problems with complex geometries. 相似文献
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Facile synthesis of dopa‐functional polycarbonates via thiol‐Ene‐coupling chemistry towards self‐healing gels 下载免费PDF全文
Kristina Olofsson Michael Malkoch Anders Hult 《Journal of polymer science. Part A, Polymer chemistry》2016,54(15):2370-2378
Since extraction of the naturally occurring mussel‐foot proteins is expensive and time‐consuming, routes towards synthetic analogues are continuously being explored. Often, these methods involve several protection and deprotection steps, making the synthesis of synthetic analogues time‐consuming and expensive as well. Herein, we show that UV‐initiated thiol‐ene coupling between a thiol‐functional dopamine derivative and an allyl‐functional aliphatic polycarbonate can be used as a fast and facile route to dopa‐functional materials. Different thiol‐to‐allyl ratios and irradiation protocols were used and it was found that nearly 50% of the allyl groups could be functionalized with dopa within short reaction times, without the need of protecting the catechol. It is also demonstrated herein that the dopa‐functional polymers can be used to form self‐healing gels through complexation with Fe3+ ions at increased pH. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 2370–2378 相似文献
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