Structural Investigation of the Interaction Mechanism between Chlorogenic Acid and AMPA Receptor via In Silico Approaches

Chlorogenic acid (CGA), an important metabolite in natural plant medicines such as honeysuckle and eucommia, has been shown to have potent antinociceptive effects. Nevertheless, the mechanism by which CGA relieves chronic pain remains unclear. α-amino-3-hydroxy-5-methyl-4-isooxazolpropionic acid receptor (AMPAR) is a major ionotropic glutamate receptor that mediates rapid excitatory synaptic transmission and its glutamate ionotropic receptor AMPA type subunit 1 (GluA1) plays a key role in nociceptive transmission. In this study, we used Western blot, surface plasmon resonance (SPR) assay, and the molecular simulation technologies to investigate the mechanism of interaction between CGA and AMPAR to relieve chronic pain. Our results indicate that the protein expression level of GluA1 showed a dependent decrease as the concentration of CGA increased (0, 50, 100, and 200 μM). The SPR assay demonstrates that CGA can directly bind to GluA1 (K_D = 496 μM). Furthermore, CGA forms a stable binding interaction with GluA1, which is validated by molecular dynamics (MD) simulation. The binding free energy between CGA and GluA1 is −39.803 ± 14.772 kJ/mol, where van der Waals interaction and electrostatic interaction are the major contributors to the GluA1–CGA binding, and the key residues are identified (Val-32, Glu-33, Ala-36, Glu-37, Leu-48), which play a crucial role in the binding interaction. This study first reveals the structural basis of the stable interaction between CGA and GluA1 to form a binding complex for the relief of chronic pain. The research provides the structural basis to understand the treatment of chronic pain and is valuable to the design of novel drug molecules in the future.     

常压DBD二维流体模型的FCT方法数值模拟

根据常压介质阻挡放电流体模型的物理方程,采用固定网格有限差分算法,分别用四阶和六阶相位误差FCT方法模拟求解二维流体连续方程.在均匀的初始条件下研究放电雪崩过程中电子密度的时空演化,具体分析和比较两种算法的差异.FCT方法模拟求解得出的计算结果与气体放电理论吻合较好,是一种具有较好的准确性和高精度的算法.     

Characterisation of Flavour Attributes in Egg White Protein Using HS-GC-IMS Combined with E-Nose and E-Tongue: Effect of High-Voltage Cold Plasma Treatment Time

Egg white protein (EWP) is susceptible to denaturation and coagulation when exposed to high temperatures, adversely affecting its flavour, thereby influencing consumers’ decisions. Here, we employ high-voltage cold plasma (HVCP) as a novel nonthermal technique to investigate its influence on the EWP’s flavour attributes using E-nose, E-tongue, and headspace gas-chromatography-ion-mobilisation spectrometry (HS-GC-IMS) due to their rapidness and high sensitivity in identifying flavour fingerprints in foods. The EWP was investigated at 0, 60, 120, 180, 240, and 300 s of HVCP treatment time. The results revealed that HVCP significantly influences the odour and taste attributes of the EWP across all treatments, with a more significant influence at 60 and 120 s of HVCP treatment. Principal component analyses of the E-nose and E-tongue clearly distinguish the odour and taste sensors’ responses. The HS-GC-IMS analysis identified 65 volatile compounds across the treatments. The volatile compounds’ concentrations increased as the HVCP treatment time was increased from 0 to 300 s. The significant compounds contributing to EWP characterisation include heptanal, ethylbenzene, ethanol, acetic acid, nonanal, heptacosane, 5-octadecanal, decanal, p-xylene, and octanal. Thus, this study shows that HVCP could be utilised to modify and improve the EWP flavour attributes.     

An Averaging Principle for the Time-Dependent Abstract Stochastic Evolution Equations with Infinite Delay and Wiener Process

Journal of Statistical Physics - In this paper, averaging principle for the time-dependent stochastic evolution equations (TDSEEs) with infinite delay is investigated. In proper non-Lipschitz...     

基于法布里-珀罗标准具的532 nm多普勒测风激光雷达系统设计和分析

 设计了采用532 nm 种子注入稳频钇铝石榴石（YAG）激光器作为辐射源的基于四通道法布里-珀罗标准具的瑞利和米散射测风激光雷达系统。介绍了激光雷达的多普勒测量基本原理;给出了雷达系统的主要参数,重点对基于分子后向散射信号的外侧双通道标准具的带宽、自由谱间距、峰值间距等指标进行了详细设计与分析,确定了内侧双通道标准具参数;对全系统速度灵敏度、信噪比与探测距离的关系进行了理论模拟。结果表明,可以实现从边界层至对流层高低空一体化探测。     

傅里叶变换轮廓术中新的相位及高度算法分析

在传统傅里叶变换轮廓术三维面型测量中,为了准确得到被测物体的高度分布,必需保证投影仪出射光瞳和摄像机入射光瞳的连线与参考面平行并且在同一水平面,否则存在较大的误差。着眼于更普通的情况,讨论双瞳连线与参考面成某一夹角时的高度计算,推导出了非平行时的参考面光场及物面变形条纹光场的表达式,并给出了高度映射公式。因而,传统的傅里叶变换轮廓术测量成为角度α=0时的特例。该方法使傅里叶变换轮廓术的测量条件得到了放宽;易于通过移动投影装置或成像装置获取全场条纹;并为在难以实现双瞳与参考面平行的特殊环境下的测量提供了可行的方法。计算机模拟及实验均证实了该方法的有效性。     

渤海近岸水体后向散射系数反演模型

水体后向散射系数bb是重要的海洋光学参数,在以悬浮物为主要组分的浑浊二类水体中,其对于水体光学性质起着决定性的作用,该参数的遥感反演对于海洋光学与水色遥感研究具有重要意义.利用2005年渤海近岸水体实测数据集,建立了基于水体遥感反射率光谱数据的后向散射系数bb(λ)经验反演模型(λ=442 nm,488 nm,532 nm,589 nm,676 nm),经实测数据检验,bb(442)和bb(589)反演平均相对误差约为30%;bb(488)和bb(676)反演半均相对误差优于40%;bb(532)反演半均相埘误差约为57%.通过分析模型对于输入误差的敏感性发现,当输入端引入±5%的误差时,模型反演值的误差波动在绝大多数情形下可控制在±10%以内,模型足稳定可靠的.模型适用于渤海近岸浑浊水体,可用丁水体光学参数的时空分布特征分析以及基丁固有光学参数的水色组分遥感反演.     

Charge Transport through Peptides in Single‐Molecule Electrical Measurements

Charge transport across the peptide chains is one of the vital processes in the biological systems, so understanding their charge transport properties is an indispensable prerequisite to explain the complex biochemical phenomenon. Here, we review the charge transport mechanism, the influence of the special groups and the experimental conditions on the charge transport through the peptide backbone by employing the single‐molecule electrical measurements. Besides, we further review the recent progresses in charge transport properties of supramolecular interaction among the adjacent peptide chains. Finally, we discuss some experimental and theoretical contradictions existing in the charge transport through peptides and provide new inspiration for the future development of the bioelectronics at the single‐molecule scale.     

Au-Nanoparticle-Array/Aligned-Ag-Nanowire-Based Flexible Dual Plasmonic Substrate for Sensitive Surface-Enhanced Raman Scattering Detection

The fabrication of flexible surface-enhanced Raman scattering (SERS) substrates for sensitive detection on uneven or irregular surfaces is challenging. In this study, a flexible dual plasmonic SERS (FDPS) substrate rationally constructed using Au nanoparticle (AuNP) arrays/aligned Ag nanowires (AgNWs) and elastic polyurethane (PU) is demonstrated. It exhibits high sensitivity (detection limit of 10⁻⁸ m for melamine and 10⁻¹⁰ m for malachite green) and excellent reproducibility. The well-designed structure of AuNP arrays/aligned AgNWs fabricated using block copolymer self-assembly and oil–water–air interfacial self-assembly successfully enhances the electromagnetic field through plasmonic coupling. In addition, the FDPS substrate retains a high SERS sensitivity after exposure to air at room temperature for 30 days because of the high stability of AuNP arrays and antioxidation characteristic of the PU covered on the aligned AgNWs. Even after undergoing stretching, bending, and twisting for 100 cycles, the FDPS substrate maintains a stable SERS activity owing to the introduction of the elastic PU. This study demonstrates a potential application of SERS detection under practical conditions for irregular surfaces and may be helpful in the development of flexible sensors.     

ADS堆功率控制研究及其在DCS系统的实施

研究了基于加速器束流强度调节来控制中国加速器驱动嬗变研究装置(CiADS)次临界堆功率的方法.束流强度的调节是通过比较堆功率的测量值和设定值,由PID(比例-积分-微分)控制器自动控制可调光阑的孔径大小完成的.为了评估所提出的自动控制方法,基于点堆动力学方程建立了CiADS次临界堆堆芯模型.基于CiADS堆芯模型的仿真...