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。     

Ir(III) and Ru(II) Complexes in Photoredox Catalysis and Photodynamic Therapy: A New Paradigm towards Anticancer Applications

Individually, photoredox catalysis (PC) and photodynamic therapy (PDT) are well-established concepts that have experienced a remarkable resurgence in recent years, leading to significant progress in organic synthesis for PC and clinical approval of anticancer drugs for PDT. But, very recently, new photoredox catalyst systems based on Ir(III) and Ru(II) complexes have garnered significant interest because they can simultaneously be used as PDT agents apart from their demonstrated PC activity. This highlight discusses the unique PC behavior of emerging Ir(III)- and Ru(II)-based systems while also examining their potential PDT activity in cancer treatment.     

Thiol-Functionalized Covalent Organic Frameworks as Thermal History Indictor for Temperature and Time History Monitoring

Various products, including foods and pharmaceuticals, are sensitive to temperature fluctuations. Thus, temperature monitoring during production, transportation, and storage is critical. Facile indicators are required to monitor temperature conditions via color changes in real time. This study aimed to prepare and apply thiol-functionalized covalent organic frameworks (COFs) as a novel indicator for monitoring thermal history and temperature abuse. The COFs underwent obvious color changes from bright yellow to purple after exposure to different temperatures for varying durations. The reaction kinetics are analyzed under isothermal conditions, which reveal that the order of reaction rates is k_−20°C < k_4°C < k_20°C < k_35°C < k_55°C. The activation energy (E_a) of the COFs is calculated using the Arrhenius equation as 50.71 kJ moL⁻¹. The COFs are capable of sensitive color changes and offer a broad temperature tracking range, thereby demonstrating their application potential for the monitoring of temperature and time exposure history during production, transportation, and storage. This excellent performance thermal history indicator also shows promise for expanding the application field of COFs.     

NiFe layered double hydroxide as an efficient bifunctional catalyst for electrosynthesis of hydrogen peroxide and oxygen

Two electron oxygen reduction reaction to produce hydrogen peroxide (H₂O₂) is a promising alternative technique to the multistep and high energy consumption anthraquinone process. Herein, Ni–Fe layered double hydroxide (NiFe-LDH) has been firstly demonstrated as an efficient bifunctional catalyst to prepare H₂O₂ by electrochemical oxygen reduction (2e^? ORR) and oxygen evolution reaction (OER). Significantly, the NiFe-LDH catalyst possesses a high faraday efficiency of 88.75% for H₂O₂ preparation in alkaline media. Moreover, the NiFe-LDH catalyst exhibits excellent OER electrocatalytic property with small overpotential of 210 mV at 10 mA cm^?2 and high stability in 1 M KOH solution. On this basis, a new reactor has been designed to electrolyze oxygen and generate hydrogen peroxide. Under the ultra-low cell voltage of 1 V, the H₂O₂ yield reaches to 47.62 mmol g_cat^?1 h^?1. In order to evaluate the application potential of the bifunctional NiFe-LDH catalyst for H₂O₂ preparation, a 1.5 V dry battery has been used as the power supply, and the output of H₂O₂ reaches to 83.90 mmol g_cat^?1 h^?1. The excellent electrocatalytic properties of 2e^? ORR and OER make NiFe-LDH a promising bifunctional electrocatalyst for future commercialization. Moreover, the well-designed 2e^? ORR-OER reactor provides a new strategy for portable production of H₂O₂.     

Thermal desorption and pyrolysis direct analysis in real time mass spectrometry of Nafion membrane

Perfluorosulfonic acid ionomer membranes have been widely used as proton conducting membranes in various electrochemical processes such as polymer electrolyte fuel cells and water electrolysis. While their thermal stability has been studied by thermogravimetry and analysis of low molecular weight products, their decomposition mechanism is little understood. In this study a newly developed methodology of thermal desorption and pyrolysis in combination with direct analysis in real time mass spectrometry is applied for Nafion membrane. An ambient ionization source and a high-resolution time-of-flight mass spectrometer enabled unambiguous assignment of gaseous products. Thermal decomposition is initiated by side chain detachment above 350°C, which leaves carbonyls on the main chain at the locations of the side chains. Perfluoroalkanes are released above 400°C by main chain scission and their further decomposition products dominate above 500 °C. DFT calculation of reaction energies and barrier heights of model compounds support proposed decomposition reactions.     

A comprehensive survey on computer vision based concepts,methodologies, analysis and applications for automatic gun/knife detection

The ability to detect gun and gun held in hand or other body parts is a typical human skill. The same problem presents an imperative task for computer vision system. Automatic observer independent detection of hand held gun or gun held in the other body part, whether it is visible or concealed, provides enhance security in vulnerable places and initiates appropriate action there. Compare to the automatic object detection systems, automatic detection of gun has very few successful attempts. In the present scope of this paper, we present an extensive survey on automatic detection of gun and define a taxonomy for this particular detection system. We also describe the inherent difficulties related with this problem. In this survey of published papers, we examine different approaches used in state-of-the-art attempts and compare performances of these approaches. Finally, this paper concludes pointing to the possible research gaps in related fields.     

Public perceptions on artificial intelligence driven disaster management: Evidence from Sydney,Melbourne and Brisbane

In recent years, artificial intelligence (AI) is being increasingly utilised in disaster management activities. The public is engaged with AI in various ways in these activities. For instance, crowdsourcing applications developed for disaster management to handle the tasks of collecting data through social media platforms, and increasing disaster awareness through serious gaming applications. Nonetheless, there are limited empirical investigations and understanding on public perceptions concerning AI for disaster management. Bridging this knowledge gap is the justification for this paper. The methodological approach adopted involved: Initially, collecting data through an online survey from residents (n = 605) of three major Australian cities; Then, analysis of the data using statistical modelling. The analysis results revealed that: (a) Younger generations have a greater appreciation of opportunities created by AI-driven applications for disaster management; (b) People with tertiary education have a greater understanding of the benefits of AI in managing the pre- and post-disaster phases, and; (c) Public sector administrative and safety workers, who play a vital role in managing disasters, place a greater value on the contributions by AI in disaster management. The study advocates relevant authorities to consider public perceptions in their efforts in integrating AI in disaster management.     

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.     

Enhanced electrochemical performance of LiNi0.8Co0.1Mn0.1O2 via titanium and boron co-doping

Titanium and boron are simultaneously introduced into LiNi_0.8Co_0.1Mn_0.1O₂ to improve the structural stability and electrochemical performance of the material. X-ray diffraction studies reveal that Ti⁴⁺ ion replaces Li⁺ ion and reduces the cation mixing; B³⁺ ion enters the tetrahedron of the transition metal layers and enlarges the distance of the [LiO₆] layers. The co-doped sample has spherical secondary particles with elongated and enlarged primary particles, in which Ti and B elements distribute uniformly. Electrochemical studies reveal the co-doped sample has improved rate performance (183.1 mAh·g^-1 at 1 C and 155.5 mAh·g^-1 at 10 C) and cycle stability (capacity retention of 94.7% after 100 cycles at 1 C). EIS and CV disclose that Ti and B co-doping reduces charge transfer impedance and suppresses phase change of LiNi_0.8Co_0.1Mn_0.1O_2.     

基于TRNSYS的茯砖茶生产工艺能源系统节能环保特性研究

茯砖茶发酵、干燥过程中，烘房内温湿度稳定性和能源系统低能耗是保证茯砖茶品质与成本的重要因素。本文采用TRNSYS仿真与实验研究相结合的方法，对咸阳某茯砖茶厂实际使用的空气源热泵系统进行建模，通过研究各季节典型代表月烘房温湿度的波动情况，确定该空气源热泵系统在全年的运行状态是否满足工艺要求，在此基础上，对比了该系统在全年可运行季节代表月与该生产厂房早期使用的燃气锅炉系统的能耗仿真结果，对空气源热泵系统的节能与环保特性进行研究。结果表明：由于夏季送风质量流量过大且室外空气含湿量较高，7月烘房温湿度不满足工艺要求。热泵系统在1、4、10月的总标煤消耗量的平均值是锅炉系统的44.42%，平均CO2、SO2、NOx排放量分别为锅炉系统的34.13%、44.1%、40.60%。在茯砖茶发酵、干燥的过程中，相比于燃气锅炉系统，空气源热泵系统具有更好的节能与环保特性。