药物相互作用研究在新药研发和审评决策中的应用

药物相互作用改变了剂量效应关系，可能会降低疗效或增加毒性，是临床应用中合并用药治疗时重要的考虑因素。预测具有临床意义的药物相互作用是药物研发过程中获益风险评估的重要环节。本文概述了药物研发过程中药物相互作用研究的目的和意义，体内和体外研究的主要内容；梳理分析了2020年国家药品监督管理局（National Medical Products Administration, NMPA）和美国食品药品监督管理局（Food and Drug Administration, FDA）批准上市的新药药物相互作用研究情况，旨在为我国药物研发过程中药物相互作用研究及其监管审评提供参考。     

Preparation and electrochemical characterization of Ti-based amorphous metallic glass with high strength

Ti-based amorphous metallic glasses have excellent mechanical, physical, and chemical properties, which is an important development direction and research hotspot of metal composite reinforcement. As a stable, simple, efficient, and large-scale preparation technology of metallic powders, the gas atomization process provides an effective way of preparing amorphous metallic glasses. In this study, the controllable fabrication of a Ti-based amorphous powder, with high efficiency, has been realized by using gas atomization. The scanning electron microscope, energy-dispersive spectrometer, and X-ray diffraction are used to analyze surface morphology, element distribution, and phase structure, respectively. A microhardness tester is used to measure the mechanical property. An electrochemical workstation is used to characterize corrosion behavior. The results show that as-prepared microparticles are more uniform and exhibit good amorphous characteristics. The mechanical test shows that the hardness of amorphous powder is significantly increased as compared with that before preparation, which has the prospect of being an important part of engineering reinforced materials. Further electrochemical measurement shows that the corrosion resistance of the as-prepared sample is also significantly improved. This study has laid a solid foundation for expanding applications of Ti-based metallic glasses, especially in heavy-duty and corrosive domains.     

An integrated dimensionality reduction and surrogate optimization approach for plant-wide chemical process operation

With liquefied natural gas becoming increasingly prevalent as a flexible source of energy, the design and optimization of industrial refrigeration cycles becomes even more important. In this article, we propose an integrated surrogate modeling and optimization framework to model and optimize the complex CryoMan Cascade refrigeration cycle. Dimensionality reduction techniques are used to reduce the large number of process decision variables which are subsequently supplied to an array of Gaussian processes, modeling both the process objective as well as feasibility constraints. Through iterative resampling of the rigorous model, this data-driven surrogate is continually refined and subsequently optimized. This approach was not only able to improve on the results of directly optimizing the process flow sheet but also located the set of optimal operating conditions in only 2 h as opposed to the original 3 weeks, facilitating its use in the operational optimization and enhanced process design of large-scale industrial chemical systems.     

The role of microbial electrogenesis in regulating methane and nitrous oxide emissions from constructed wetland-microbial fuel cell

This study assesses a sustainable solution to greenhouse gases (GHGs) mitigation using constructed wetland-microbial fuel cells (CW-MFC). Roots of wetland plant Acorus Calamus L. are placed in biological anode to better enable anode microorganisms to obtain rhizosphere secretion for power improvement. Three selected cathode materials have a large difference in GHG emissions, and among them, carbon fiber felt (CFF) shows the lowest emissions of methane and nitrous oxide, which are 0.77 ± 0.04 mg/(m²·h) and 130.78 ± 13.08 μg/(m²·h), respectively. The CFF CW-MFC achieves the maximum power density of 2.99 W/m³. As the influent pH value is adjusted from acidic to alkaline, the GHGs emissions are reduced. The addition of Ni inhibits GHGs emission but decreases the electricity, the power density is reduced to 1.09 W/m³, and the methane and nitrous oxide emission fluxes decline to 0.20 ± 0.04 mg/(m²·h) and 15.49 ± 1.86 μg/(m²·h), respectively. Low C/N ratio reduces methane emission, while high C/N ratio effectively inhibits nitrous oxide emission. At the influent pH 8 and C/N = 5:1, the methane emission flux is approximately 10.60 ± 0.27 mg/(m²·h), and the nitrous oxide emission flux is only 10.90 ± 1.10 μg/(m²·h). Based on the above experimental results by controlling variable factors, it is proposed that CW-MFC offers an environment-friendly solution to regulate GHG emissions.     

Ammonia gas sensing and magnetic permeability of enhanced surface area and high porosity lanthanum substituted Co–Zn nano ferrites

This work reports magnetic permeability and ammonia gas sensing characteristics of La³⁺ substituted Co–Zn nano ferrites possessing chemical formula Co_0.7Zn_0.3La_xFe_2-2xO₄ (x = 0–0.1) synthesized by a sol-gel route. Refinement of X-ray diffraction (XRD) patterns of the ferrite powders by the Rietveld technique has revealed the creation of single-phase spinel structure. The tenancy of constituent cations at tetrahedral/octahedral sites was obtained from the refinement of XRD. The crystallite sizes calculated from the W–H method vary from 20 to 24 nm. The scanning electron microscope (SEM) profiles of the ferrite samples were analyzed for the morphological details. The energy dispersive X-ray analysis (EDAX) patterns of the samples were obtained to test the elemental purity of the ferrites within their stoichiometry. The transmission electron microscope (TEM) image of the ferrite (x = 0.1) exhibits the spherical and oval shaped particles with a mean size of 20 nm. Fourier transform infra-red (FTIR) spectra were analyzed to confirm the superseding of La³⁺ cations at octahedral sites. The Brunauer-Emmett-Teller (BET) analysis of nitrogen adsorption-desorption isotherms of the ferrites was performed to investigate the porous structure and to determine the surface area of the nanocrystalline ferrites. The oxidation states of the constituent ions were confirmed by means of X-ray photoelectron spectroscopy (XPS). The complex permeability as a function of frequency was studied to explore the effects of structural parameters on the magnetic behaviour of the ferrites. Analysis of gas sensing properties of the ferrites have proved that the Co–Zn–La ferrite with controlled La composition can be utilized as an effective ammonia gas sensing material in commercial gas sensors.     

Progressive NO2 Sensors with Rapid Alarm and Persistent Memory-Type Responses for Wide-Range Sensing Using Antimony Triselenide Nanoflakes

Antimony triselenide (Sb₂Se₃) nanoflake-based nitrogen dioxide (NO₂) sensors exhibit a progressive bifunctional gas-sensing performance, with a rapid alarm for hazardous highly concentrated gases, and an advanced memory-type function for low-concentration (<1 ppm) monitoring repeated under potentially fatal exposure. Rectangular and cuboid shaped Sb₂Se₃ nanoflakes, comprising van der Waals planes with large surface areas and covalent bond planes with small areas, can rapidly detect a wide range of NO₂ gas concentrations from 0.1 to 100 ppm. These Sb₂Se₃ nanoflakes are found to be suitable for physisorption-based gas sensing owing to their anisotropic quasi-2D crystal structure with extremely enlarged van der Waals planes, where they are humidity-insensitive and consequently exhibit an extremely stable baseline current. The Sb₂Se₃ nanoflake sensor exhibits a room-temperature/low-voltage operation, which is noticeable owing to its low energy consumption and rapid response even under a NO₂ gas flow of only 1 ppm. As a result, the Sb₂Se₃ nanoflake sensor is suitable for the development of a rapid alarm system. Furthermore, the persistent gas-sensing conductivity of the sensor with a slow decaying current can enable the development of a progressive memory-type sensor that retains the previous signal under irregular gas injection at low concentrations.     

Synthesis of Ionic Ultramicroporous Polymers for Selective Separation of Acetylene from Ethylene

The design of highly stable and efficient porous materials is essential for developing breakthrough hydrocarbon separation methods based on physisorption to replace currently used energy-intensive distillation/absorption technologies. Efforts to develop advanced porous materials such as zeolites, coordination frameworks, and organic polymers have met with limited success. Here, a new class of ionic ultramicroporous polymers (IUPs) with high-density inorganic anions and narrowly distributed ultramicroporosity is reported, which are synthesized by a facile free-radical polymerization using branched and amphiphilic ionic compounds as reactive monomers. A covalent and ionic dual-crosslinking strategy is proposed to manipulate the pore structure of amorphous polymers at the ultramicroporous scale. The IUPs exhibit exceptional selectivity (286.1–474.4) for separating acetylene from ethylene along with high thermal and water stability, collaboratively demonstrated by gas adsorption isotherms and experimental breakthrough curves. Modeling studies unveil the specific binding sites for acetylene capture as well as the interconnected ultramicroporosity for size sieving. The porosity-engineering protocol used in this work can also be extended to the design of other ultramicroporous materials for the challenging separation of other key gas constituents.