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1.
● B[a]P, nicotine and phenanthrene molecules altered the secondary structure of Aβ42. ● β-content of the peptide was significantly enhanced in the presence of the PAHs. ● Nicotine made stable cluster with Aβ42 peptide via hydrogen bonds. ● Phenanthrene due to its small size, interfered with the Aβ42 monomer more strongly. Recent studies have correlated the chronic impact of ambient environmental pollutants like polycyclic aromatic hydrocarbons (PAHs) with the progression of neurodegenerative disorders, either by using statistical data from various cities, or via tracking biomarkers during in-vivo experiments. Among different neurodegenerative disorders, PAHs are known to cause increased risk for Alzheimer’s disease, related to the development of amyloid beta (Aβ) peptide oligomers. However, the complex molecular interactions between peptide monomers and organic pollutants remains obscured. In this work, we performed an atomistic molecular dynamics study via GROMACS to investigate the structure of Aβ42 peptide monomer in the presence of benzo[a]pyrene, nicotine, and phenanthrene. Interestingly the results revealed strong hydrophobic, and hydrogen-bond based interactions between Aβ peptides and these environmental pollutants that resulted in the formation of stable intermolecular clusters. The strong interactions affected the secondary structure of the Aβ42 peptide in the presence of the organic pollutants, with almost 50 % decrease in the α-helix and 2 %–10 % increase in the β-sheets of the peptide. Overall, the undergoing changes in the secondary structure of the peptide monomer in the presence of the pollutants under the study indicates an enhanced formation of Aβ peptide oligomers, and consequent progression of Alzheimer’s disease.  相似文献   
2.
为明确抗生素药物诺氟沙星对锦鲤的毒性效应,采用鱼类毒性试验方法,研究了诺氟沙星(Norfloxacin,NFLX)对锦鲤的急性毒性和亚急性毒性效应.结果表明,当NFLX暴露质量浓度达到1 000 mg/L时,NFLX对锦鲤无急性毒性.NFLK暴露15 d,在1 mg/L、5 mg/L、25mg/L和125 mg/L 4个组中,5 mg/L组锦鲤肝脏SOD活性在6d时达到最大(p<0.01);125 mg./L组MDA含量在15 d时达到最大值(p<0.01);25 mg/L、125 mg/L组锦鲤肝脏中MDA含量与暴露时间呈正相关,相关系数分别为0.938 1、0.953 5.各组GST活性和GSH质量比均受到不同程度的诱导,1 mg/L组NFLX可使鱼肝GST与GSH产生适应性反应;5 mg/L组诱导GST与GSH效应最为显著,呈现“钟形”变化趋势,5 mg/L很可能是NFLX对GST活性和GSH质量比影响的一个阈值或转折点.鱼肝GPT与GOT活性变化表现出一定的相似性,均呈现先升高后降低的变化规律,其中5 mg/L组被诱导效应最为显著(p<0.01).5 mg/L很可能是锦鲤适应NFLX暴露和机体中生物酶发挥作用的一个转折点.比较上述抗氧化和转氨酶指标的敏感性和稳定性发现,在NFLX作用下,锦鲤肝脏中GST、GSH两个指标对NFLX的反应比SOD、MDA、GPT、GOT灵敏,变化规律稳定,更适合评价水环境中NFLX暴露的毒性效应.  相似文献   
3.
Pressures on water resources due to changing climate, increasing demands, and enhanced recognition of environmental flow needs result in the need for hydrology information to support informed water allocation decisions. However, the absence of hydrometric measurements and limited access to hydrology information in many areas impairs water allocation decision‐making. This paper describes a water balance‐based modeling approach and an innovative web‐based decision‐support hydrology tool developed to address this need. Using high‐resolution climate, vegetation, and watershed data, a simple gridded water balance model, adjusted to account for locational variability, was developed and calibrated against gauged watersheds, to model mean annual runoff. Mean monthly runoff was modeled empirically, using multivariate regression. The modeled annual runoff results are within 20% of the observed mean annual discharge for 78% of the calibration watersheds, with a mean absolute error of 16%. Modeled monthly runoff corresponds well to observed monthly runoff, with a median Nash–Sutcliffe statistic of 0.92 and a median Spearman rank correlation statistic of 0.98. Monthly and annual flow estimates produced from the model are incorporated into a map‐ and watershed‐based decision‐support system referred to as the Northeast Water Tool, to provide critical information to decision makers and others on natural water supply, existing allocations, and the needs of the environment.  相似文献   
4.
Coastal catchments in British Columbia, Canada, experience a complex mixture of rainfall‐ and snowmelt‐driven contributions to flood events. Few operational flood‐forecast models are available in the region. Here, we integrated a number of proven technologies in a novel way to produce a super‐ensemble forecast system for the Englishman River, a flood‐prone stream on Vancouver Island. This three‐day‐ahead modeling system utilizes up to 42 numerical weather prediction model outputs from the North American Ensemble Forecast System, combined with six artificial neural network‐based streamflow models representing various slightly different system conceptualizations, all of which were trained exclusively on historical high‐flow data. As such, the system combines relatively low model development times and costs with the generation of fully probabilistic forecasts reflecting uncertainty in the simulation of both atmospheric and terrestrial hydrologic dynamics. Results from operational testing by British Columbia's flood forecasting agency during the 2013‐2014 storm season suggest that the prediction system is operationally useful and robust.  相似文献   
5.
为确定铁路隧道救援站最佳通风结构,对烟道布置提出合理建议,采用计算流体力学(CFD)的方法,对铁路隧道救援站通风网络进行优化设计。同时,采用模拟计算的方法对救援站人员疏散进行模拟分析,确定救援横通道布置及防护门开度设置的合理性。研究结果表明:在同等通风参数工况设置下,采用多节点排烟竖井结构后各救援横通道流量分配更均匀,救援站压力平衡性更好,通风效率可提升15%;通过疏散模拟证实,在长560 m的紧急救援站范围内设置10条疏散横通道,横通道设1.7 m宽的逃生门能够满足疏散要求。  相似文献   
6.
In this work, an attempt has been made to harvest green energy from piezoelectric material using fluid flow in a conduit. Piezoelectric Energy Harvesting using Fluid Flow (PEHF) experimental model has been designed and the outputs obtained are compared with results obtained from simulations using ANSYS (computational fluid dynamics) and also with the mathematical modeling. The PEHF model has been utilized to analyze the effect of flow rate of water with reference to energy extracted. The full wave bridge rectifier and voltage doubler circuits have been used to obtain the direct current (DC) from the PEHF model. It is observed that the output obtained using experiments holds good in agreement with the results retrieved through simulations and mathematical results. The increase in flow rate of fluid leads to initially increase and then decrease in output of PEHF model as the maximum energy generated when flow rates (external force) matches with the frequency of excitation of the systems, i.e., at its resonance. The maximum energy output is generated at its resonance frequencies. It is observed that the full wave bridge rectifier circuit gives greater output as compared to a voltage doubler circuit.  相似文献   
7.
为认定车辆碰撞事故的性质及责任,动态还原事故发生过程。提出1种逆向事故分析再现方法,经过坐标系旋转后构建确定方程组的车辆碰撞瞬间解析计算模型,并经过实车碰撞实验数据验证其计算精度与三维再现的准确性。利用Crashview软件对1起车辆追尾事故进行仿真分析,解析计算得出车辆碰撞瞬间车速和碰撞前行驶车速,实现事故二维过程重构和三维模拟再现。结果表明:计算分析车速与VDR记录车速误差在5%以内,模拟再现轨迹与事故现场实测痕迹基本吻合,所构建的方法可有效用于车辆追尾碰撞事故辅助分析鉴定,为事故过程分析提供理论依据。  相似文献   
8.
Concentrations of eight elements were measured in Chelonia mydas and Lepidochelys olivacea eggs collected along the Pacific coast of Panama. Manganese (Mn), iron (Fe), copper (Cu), zinc (Zn), arsenic (As), cadmium (Cd), and mercury (Hg) concentrations were similar to previous reports of these species from around the world, while lead (Pb) was lower than previous reports. Cd posed the highest health risk to people who regularly eat the eggs, with average consumption rates leading to target hazard quotients (THQ) of up to 0.35 ± 0.15. Our conclusions indicate that current turtle egg consumption in isolated, coastal Pacific communities may pose a health concern for young children, and that youth and young adults should limit their consumption of turtle eggs to reduce their total intake of nonessential metals.  相似文献   
9.
Objective: The lower extremity of the occupant represents the most frequently injured body region in motor vehicle crashes. Knee airbags (KABs) have been implemented as a potential countermeasure to reduce lower extremity injuries. Despite the increasing prevalence of KABs in vehicles, the biomechanical interaction of the human lower extremity with the KAB has not been well characterized. This study uses computational models of the human body and KABs to explore how KAB design may influence the impact response of the occupant's lower extremities.

Methods: The analysis was conducted using a 50th percentile male occupant human body model with deployed KABs in a simplified vehicle interior. The 2 common KAB design types, bottom-deploy KAB (BKAB) and rear-deploy KAB (RKAB), were both included. A state-of-the-art airbag modeling technique, the corpuscular particle method, was adopted to represent the deployment dynamics of the unfolding airbags. Validation of the environment model was performed based on previously reported test results. The kinematic responses of the occupant lower extremities were compared under both KAB designs, 2 seating configurations (in-position and out-of-position), and 3 loading conditions (static, frontal, and oblique impacts). A linear statistical model was used to assess factor significance considering the impact responses of the occupant lower extremities.

Results: The presence of a KAB had a significant influence on the lower extremity kinematics compared to no KAB (P <.05) by providing early restraint and distributing contact force on the legs during airbag deployment. For in-position occupants, the KAB generally tended to decrease tibia loadings. The RKAB led to greater lateral motion of the legs compared to the BKAB, resulting in higher lateral displacement at the knee joint and abduction angle change (51.2 ± 21.7 mm and 15° ± 6.0°) over the dynamic loading conditions. Change in the seating position led to a significant difference in occupant kinematic and kinetic parameters (P <.05). For the out-of-position (forward-seated) occupant, the earlier contact between the lower extremity and the deploying KAB resulted in 28.4° ± 5.8° greater abduction, regardless of crash scenarios. Both KAB types reduced the axial force in the femur relative to no KAB. Overall, the out-of-position occupant sustained a raised axial force and bending moment of the tibia by 0.8 ± 0.2 kN and 21.1 ± 8.7 Nm regardless of restraint use.

Conclusions: The current study provided a preliminary computational examination on KAB designs based on a limited set of configurations in an idealized vehicle interior. Results suggested that the BKAB tended to provide more coverage and less leg abduction compared to the RKAB in oblique impact and/or the selected out-of-position scenario. An out-of-position occupant was associated with larger abduction and lower extremity loads over all occupant configurations. Further investigations are recommended to obtain a full understanding of the KAB performance in a more realistic vehicle environment.  相似文献   

10.
农药环境风险评估中常用的计算毒理学模型软件   总被引:2,自引:0,他引:2  
农药的大量使用为我国带来了严重的环境和健康问题,仅依靠传统生物测试和环境监测的方法已经不能满足农药风险评估的需要。利用计算毒理学模型,可以实现农药的高通量风险评估。本文主要介绍了农药环境风险评估中常用免费的EPI Suite、QSAR Toolbox和PBT Profiler等定量结构-活性关系(Quantitative Structure-Activity Relationship,QSAR)模型软件和SCIGROW、PRZM-GW、China-PEARL和EQC等环境多介质模型软件,以期能为农药的风险评估和科学管理提供参考。  相似文献   
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