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This study describes the first binding assay for glycine transporter 2 (GlyT2) following the concept of MS Binding Assays. The selective GlyT2 inhibitor Org25543 was employed as a reporter ligand and it was quantified with a highly sensitive and rapid LC-ESI-MS/MS method. Binding of Org25543 at GlyT2 was characterized in kinetic and saturation experiments with an off-rate of 7.07×10−3 s−1, an on-rate of 1.01×106 M−1 s−1, and an equilibrium dissociation constant of 7.45 nM. Furthermore, the inhibitory constants of 19 GlyT ligands were determined in competition experiments. The validity of the GlyT2 affinities determined with the binding assay was examined by a comparison with published inhibitory potencies from various functional assays. With the capability for affinity determination towards GlyT2 the developed MS Binding Assays provide the first tool for affinity profiling of potential ligands and it represents a valuable new alternative to functional assays addressing GlyT2.  相似文献   
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In the Industry 4.0 era, the chemical industry is embracing broad adoption of artificial intelligence (AI) and machine learning (ML) methods. This article provides a holistic view of how the industry is transforming digitally towards AI at scale. First, a historical perspective on how the industry used AI to aid humans in better decision-making is shown. Then state-of-the-art AI research addressing industrial needs on reliability and safety, process optimization, supply chain, material discovery, and reaction engineering is highlighted. Finally, a vision of the plant of the future is illustrated with critical components of AI-ready culture, model life cycle management, and renewed role of humans in chemical manufacturing.  相似文献   
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With the purpose of enhancing the photochemical water splitting performance, GZO film has been used to increase the charge transfer of the ZnO@GZO films. The characterization of ZnO film, GZO film and ZnO@GZO films was carried out by X-ray diffraction (XRD), atomic force microscope, DRUV-vis spectra (DRUV-vis), X-ray photoelectron spectroscopy (XPS), photoluminescence (PL) and photochemical water splitting. All samples show a related highly c-axis peak (002) from XRD patterns. DRUV-vis results show that the formed GZO film with wide band gap but low resistivity, would not affect the band gap of the ZnO@GZO films. PL results reveal that the decreased recombination of electron and hole, via the increased charge transfer by GZO film. XPS results hint that the obvious change of chemisorbed oxygen species on the surface of ZnO and GZO, and Ga atoms mainly substitute into Zn sites in the ZnO matrix. Compared with that of ZnO film, the ZnO@GZO films even with lower specific surface area, could efficiently enhance the photochemical water splitting performance via the charge-transfer effect of the GZO film.  相似文献   
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In this study, the aging-induced embrittlement of three polymer glasses is investigated using a previously developed hybrid experimental–numerical method. The evolution of yield stress of unnotched tensile bars upon aging is coupled to the evolution of embrittlement of notched tensile bars using a numerical model combined with a critical hydrostatic stress criterion that determines the onset of failure. The time-to-embrittlement of notched tensile bars with a different notch geometry is predicted and in good agreement with the experimentally determined value. Next to that, the approach is extended to three polysulfone polymers, and it is shown that the value of the critical hydrostatic stress correlates well with the polymers entanglement density: : polymers with a denser entangled network display higher values, that is, a higher resistance against incipient cavitation. © 2019 The Authors. Journal of Applied Polymer Science published by Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47373.  相似文献   
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A gate-all-around charge plasma nanowire field-effect transistor (GAA CP NW FET) device using the negative-capacitance technique is introduced, termed the GAA CP NW negative-capacitance (NC) FET. In the face of bottleneck issues in nanoscale devices such as rising power dissipation, new techniques must be introduced into FET structures to overcome their major limitations. Negative capacitance is an efficient effect that can be incorporated into a device to enhance its performance for low-power applications and help to reduce the operating voltage. The Landau–Khalatnikov equation can be applied in such cases to obtain the effective bias. To determine the effects of negative capacitance, lead zirconate titanate (PZT) ferroelectric material, a ceramic material with perovskite properties, is adopted as a gate insulator. This approach diminishes the supply voltage and reduces the power dissipation in the device. Excluding their polarization properties, ferroelectric materials are similar to dielectric materials, and PZT offers abundant polarization with improved reliability and a higher dielectric capacitance. Without proper tuning of the thickness of the PZT material, hysteresis behavior mat occur. Hence, the thickness of the PZT material (tFE) is an essential parameter to optimize the device performance and achieve a reduced threshold voltage for the GAA CP NW NC-FET device proposed herein. Furthermore, varying the thickness of the PZT ferroelectric material can also enhance the performance. When using the highest values of tFE, improved outcomes with an analogously lower operating voltage are observed. The effects of varying tFE on the performance characteristics of the device including the drain current, transconductance, polarized charge, etc. are also interpreted herein.

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Here, a pH neutral aqueous organic redox flow battery (AORFB) consisting of three electrolytes channels (i.e., an anolyte channel, a catholyte channel, and a central salt water channel) to achieve integrated energy storage and desalination is reported. Employing a low cost, chemically stable methyl viologen (MV) anolyte, and sodium ferrocyanide catholyte, this desalination AORFB is capable of desalinating simulated seawater (0.56 m NaCl) down to 0.023 m salt concentration at an energy cost of 2.4 W h L?1 of fresh water—competitive with current reverse osmosis technologies. Simultaneously, the cell delivers stored energy at 79.7% efficiency with a cell voltage of 0.85 V. Furthermore, the cell is also capable of higher current operation up to 15 mA cm?2, providing 4.55 mL of fresh water per hour. Combining energy storage and water desalination into such a bifunctional device offers the opportunity to address two growing global issues from one hardware installation.  相似文献   
9.
MS Binding Assays are a label‐free alternative to radioligand binding assays. They provide basically the same capabilities as the latter, but an unlabeled reporter ligand is used instead of a radioligand. The study presented herein describes the development of MS Binding Assays that address D1 and D5 dopamine receptors. A highly sensitive, rapid and robust LC–ESI‐MS/MS quantification method for the selective D1 dopamine receptor antagonist SCH23390 ((5R)‐8‐chloro‐3‐methyl‐5‐phenyl‐1,2,4,5‐tetrahydro‐3‐benzazepin‐7‐ol) was established and validated, using its 8‐bromo analogue SKF83566 as an internal standard. This quantification method proved to be suitable for the characterization of SCH23390 binding to human D1 and D5 receptors. Following the concept of MS Binding Assays, saturation experiments for D1 and D5 receptors were performed, as well as competition experiments for D1 receptors. The results obtained are in good agreement with results from radioligand binding assays and therefore indicate that the established MS Binding Assays addressing D1 and D5 receptors are well‐suited substitutes for radioligand binding assays, the technique that has so far dominated affinity determinations toward these targets.  相似文献   
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