Remote Sensing
·
2014
·Vol. 6
·期 12
·12723-12751
·
IF 2.623
Alice B. Kelly,Nina Maggi Kelly
This paper explores the existing literature on the active detection of crimes using remote sensing technologies. The paper reviews sixty-one studies that use remote sensing to actively detect crime. Considering the serious consequences of misidentifying crimes or sites of crimes (e.g., opening that place and its residents up to potentially needless intrusion, intimidation, surveillance or violence), the authors were surprised to find a lack of rigorous validation of the remote sensing methods utilized in these studies. In some cases, validation was not mentioned, while in others, validation was severely hampered by security issues, rough terrain and weather conditions. The paper also considers the potential hazards of the use of Google Earth to identify crimes and criminals. The paper concludes by considering alternate, “second order” validation techniques that could add vital context and understanding to remotely sensed images in a law enforcement context. With this discussion, the authors seek to initiate a discussion on other potential “second order” validation techniques, as well as on the exponential growth of surveillance in our everyday lives.Keywords:remote sensing;crime;validation;accuracy assessment;Google Earth
研究领域:
地理学
·
刑事科学技术
·
遥感技术
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DOI
高影响因子
ACS Nano
·
2024
·
IF 15.8
Jia-Jia Zheng,Xiaoyu Wang,Zeqi Li,Xiaomei Shen,Gen Wei,Pufeihong Xia,Yi-Ge Zhou,Hui Wei,Xingfa Gao
Nanomedicine is promising for disease prevention and treatment, but there are still many challenges that hinder its rapid development. A major challenge is to efficiently seek candidates with the desired therapeutic functions from tremendously available materials. Here, we report an integrated computational and experimental framework to seek alloy nanoparticles from the Materials Project library for antibacterial applications, aiming to learn the inverse screening concept from traditional medicine for nanomedicine. Because strong peroxidase-like catalytic activity and weak toxicity to normal cells are the desired material properties for antibacterial usage, computational screening implementing theoretical prediction models of catalytic activity and cytotoxicity is first conducted to select the candidates. Then, experimental screening based on scanning probe block copolymer lithography is used to verify and refine the computational screening results. Finally, the best candidate AuCu3 is synthesized in solution and its antibacterial performance over other nanoparticles against S. aureus and E. coli. is experimentally confirmed. The results show the power of inverse screening in accelerating the research and development of antibacterial nanomedicine, which may inspire similar strategies for other nanomedicines in the future.
研究领域:
材料科学
·
生物医学工程
·
纳米技术
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2025
·
IF 6.2
Liuyang Wang,Pei Guo,Xiaofang Zhang,Yun Duan,Jun Ning,Tao Zhang,Xinling Yang
In moths, sex pheromones are synthesized in pheromone glands (PGs) by a variety of enzymes. Desaturases (DESs) are critical for the introduction of double bonds into pheromones. In Mythimna loreyi, the specific DESs involved in sex pheromone biosynthesis remain unclear. In this study, we identified and characterized 25 putative DESs from the M. loreyi genome. Nineteen of them were expressed in the female PGs, with seven showing significant upregulation in response to pheromone biosynthesis activating neuropeptide (PBAN). RNAi-based knockdown of MlorDES2 significantly reduced the titer of pheromone components by 58.6–85.9%, while knockdown of MlorDES9 specifically reduced the production of (Z)-9-tetradecenyl acetate. Functional verification in yeast revealed that MlorDES2 and MlorDES9 exhibited Δ11 and Δ9 desaturase activities, respectively. Taken together, these results collectively demonstrate that MlorDES2 and MlorDES9 are involved in sex pheromone biosynthesis of M. loreyi, suggesting that DESs could be used as potential targets for pest management.
研究领域:
昆虫学
·
分子生物学
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DOI
PubMed
高影响因子
JOURNAL OF PHYSICAL CHEMISTRY B
·
2025
·
IF 2.9
Yang He,Guowei Chen,Yiping Zhao,Li Chen
The hydrophilicity of two-dimensional (2D) transition-metal carbides, carbonitrides, and nitrides (MXene) nanochannels plays a critical role in water transport during filtration, yet its specific effects on MXene membranes remain inadequately understood. Herein, we systematically investigated water transport through Ti3C2TX MXene nanochannels using molecular dynamics simulations coupled with experimental validation, addressing a significant knowledge gap in MXene-based separation membranes. Our simulations demonstrated that strong interactions between water molecules and hydrophilic nanochannel MXene surfaces (Ti3C2(OH)2 MXene or Ti3C2(NH)2 MXene) facilitated the formation of ordered molecular arrangements, substantially improving water permeability. Conversely, hydrophobic nanochannels (Ti3C2O2 MXene or Ti3C2F2 MXene) exhibited disordered water molecule distributions, leading to reduced permeability. Experimental validation corroborated these simulation results, demonstrating a direct correlation between the hydrophilicity of the Ti3C2TX surface and the water flux. The highly hydrophilic Ti3C2(OH)2 MXenes exhibited water flux maximum, whereas the more hydrophobic Ti3C2F2 MXenes had the lowest water flux. By integrating molecular dynamics simulations with experimental analyses, we gained comprehensive insights into the influence of nanochannel hydrophilicity on water transport mechanisms in MXene membranes. These findings provide critical guidelines for designing high-performance MXene-based membranes for advanced water treatment and separation applications.
研究领域:
材料科学
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环境科学
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计算化学
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产品关联
DOI
PubMed
高影响因子
CHEMISTRY OF MATERIALS
·
2024
·
IF 7.2
Zhongxiong Sun,Jinjin Yang,Yifeng Han,Man-Rong Li
Harsh synthetic conditions and high cost seriously hinder the discoveries of metastable materials under extreme conditions. Extending the big-data-driven high-throughput calculation (HTC) to depict the chemically negative pressure (NP) zone enables the creation of efficient and accurate prediction models over the full pressure range. This approach significantly expedites the exploration and discovery of novel multifunctional metastable materials. Here, double perovskites Ag2B(IV)B′(VI)O6 were adopted to illustrate the comprehensive process of big-data-mining, HTC, and experimental realization under chemically NP. High-throughput screening of 32 Ag2BB′O6 compounds, encompassing 9 possible crystal structures and 23 derived magnetic structures, resulting in 1024 potential candidates. Ag2MnTeO6 (AMTO) and Ag2TiTeO6 (ATTO) were selected for the experimental validation. We captured a new polymorph of AMTO (R-3, 3R) at ambient pressure through ion-exchange reaction, a phase theoretically predicted to be stable under NP about −6.6 GPa. Moreover, as predicted by density functional theory calculations, the P-31c (2H) AMTO is an antiferromagnetic semiconductor with magnetic transition at 3 K and direct band gap ∼0.97 eV. This work is expected to guide the exploration of hidden metastable phase by providing a methodological framework and novel conceptual approach for future research.
研究领域:
材料科学
·
数据科学
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DOI
高影响因子
Heliyon
·
2024
·
IF 3.4
Ao Sun,Yu-fei Li,Yang Miao,Hong-xia Wang,Lin-lin Zhang
The objective of this study was to investigate the potential targets and mechanisms of UA in the treatment of PD. The efficacy of UA in PD was assessed through network pharmacology, molecular docking, and experimental methods. Common target protein-protein interaction (PPI) networks were constructed and visualized using Cytoscape. As a result, 9 key genes, namely CASP3, IL6, IL1B, PTGS2, CREB1, TNF, MAPK3, JUN, and CASP8, were selected. Molecular docking simulations were performed using Discovery Studio 2019 to validate the correlation between UA and the core targets. The results demonstrated a favorable binding affinity between UA and CASP8, IL1B, CASP3, TNF, MAPK3 and IL6. In vivo studies showed UA ameliorated motor dysfunction, and UA can significantly increase the protein expression of tyrosine hydroxylase (TH) in PD mice model. In addition, in vitro experiments confirmed that UA effectively reduced the protein expression of CASP8, CASP3 and MAPK3 in PD cell models and suppressed the gene expression of TNF-α, IL-6, and IL-1β. These findings indicate that the therapeutic effects of UA on PD could be due to its influence on various targets within both the apoptosis and neuroinflammatory signaling pathways. Consequently, this study provides a methodological and theoretical foundation for further elucidating the pharmacological mechanism of UA.
研究领域:
药理学
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神经科学
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生物信息学
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产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2013
·Vol. 14
·期 11
·21202-21214
·
IF 2.464
Shengsheng Zhu,Xiang Meng,Xin Su,Yongwei Luo,Zuyue Sun
An isocratic, sensitive and stability-indicating high performance liquid chromatographic (HPLC) method for separation and determination of the related substances of micafungin sodium was developed. The chromatographic separation was achieved on Agilent Zorbax SB-C18 column (250 × 4.6 mm, 5 μm). Forced degradation study confirmed that the newly developed method was specific and selective to the degradation products. The performance of the method was validated according to the present ICH guidelines for specificity, linearity, accuracy, precision and robustness. Regression analysis showed correlation coefficient value greater than 0.999 for micafungin sodium and its six impurities. Limit of detection of impurities was in the range of 0.006%–0.013% indicating the high sensitivity of the newly developed method. Accuracy of the method was established based on the recovery obtained between 98.2% and 102.0% for all impurities. RSD obtained for the repeatability and intermediate precision experiments, was less than 1.0%. The method was successfully applied to quantify related substances of micafungin sodium in bulk drugs.Keywords:micafungin sodium;related substances;stability-indicating;forced degradation;validation
研究领域:
药物分析
·
制药工程
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产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
·
2022
·
IF 6.772
Yiheng Sun,Guijing Dou,Kang Wu,Peijian Chen,Taihua Zhang,Guangjian Peng
Characterization of the rupture behavior is of great significance to evaluate the service life for microcapsules. Due to the small dimension, complex core-shell structure and curved surface of microcapsules, it is challenging to quantitatively determine the rupture position and rupture strength. In the present work, a microsphere-compression model for characterizing the rupture behavior of microcapsules was established. Through the quantitative investigation of the compression rupture behaviors of microcapsules from the extended finite element models, the cracks were found to initiate at the same parallel circle (latitude) of microcapsule where the curvature change of the deformed shell (i.e., prime vertical strain) is the largest. With the increase of compression displacement, microcapsules show three crack propagation modes. Based on such findings, a maximum prime vertical strain criterion, i.e., cracks initiate when the maximum prime vertical strain exceeds a critical value, for estimating the rupture initiation of microcapsules under compression was proposed. The proposed criterion was validated by both numerical simulations and experiments. It demonstrates that the critical prime vertical strain of rupture is independent of the microcapsule dimensions and is an intrinsic parameter to judge the rupture of microcapsules. The critical prime vertical strain of rupture for n-hexadecane@PMMA microcapsules is 0.023±0.003. The proposed model avoids complicated stress analysis and provides an intrinsic criterion.
研究领域:
材料科学
·
力学
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产品关联
DOI
高影响因子
CERAMICS INTERNATIONAL
·
2021
·
IF 4.527
Zhiqiang Zhou,Xiumin Chen,Zhongqian Zhao,Youli Xu,Bingyang He,Li Liu,Bin Yang,Baoqiang Xu,Dachun Liu
The Ab initio molecular dynamics (AIMD) simulation was adopted to elucidate the alumina vacuum carbothermal reduction and nitridation (VCRN) reaction mechanism, and an experimental method was adopted to verify the AIMD results. According to the results, the VCRN reaction occurs only when N 2 is adsorbed on both the C and Al atoms. C plays two important roles during the reaction of alumina VCRN: one is to act as a charge exchange carrier for N and Al atoms to catalyze N 2 molecule decomposition, and the other is to react with O atoms and reduce Al 2 O 3 .
研究领域:
材料科学
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化学工程
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产品关联
DOI
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2024
·Vol. 38
·期 7
·e5887
·
IF 1.8
Shuai-nan Zhang,Qi Liu,Xu-zhao Li
Omics, bioinformatics, molecular docking, and experimental validation were used to elucidate the hepatoprotective effects, mechanisms, and active compounds of Shandougen (SDG) based on the biolabel-led research pattern. Integrated omics were used to explore the biolabels of SDG intervention in liver tissue. Subsequently, bioinformatics and molecular docking were applied to topologically analyze its therapeutic effects, mechanisms, and active compounds based on biolabels. Finally, an animal model was used to verify the biolabel analysis results. Omics, bioinformatics, and molecular docking revealed that SDG may exert therapeutic effects on liver diseases in the multicompound and multitarget synergistic modes, especially liver cirrhosis. In the validation experiment, SDG and its active compounds (betulinic acid and gallic acid) significantly improved the liver histopathological damage in the CCl 4 -induced liver cirrhosis model. Meanwhile, they also produced significant inhibitory effects on the focal adhesion pathway (integrin alpha-1, myosin regulatory light chain 2, laminin subunit gamma-1, etc.) and alleviated the associated pathological processes: focal adhesion (focal adhesion kinase 1)–extracellular matrix (collagen alpha-1(IV) chain, collagen alpha-1(VI) chain, and collagen alpha-2(VI) chain) dysfunction, carcinogenesis (alpha-fetoprotein, NH 3 , and acetylcholinesterase), inflammation (tumor necrosis factor alpha, interleukin-1 [IL-1], IL-6, and IL-10), and oxidative stress (reactive oxygen species, malonaldehyde, and superoxide dismutase). This study provides new evidence and insights for the hepatoprotective effects, mechanisms, and active compounds of SDG.
研究领域:
中药学
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生物信息学
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肝脏病学
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产品关联
DOI
PubMed
高影响因子
Journal of Materials Informatics
·
2024
·Vol. 4
·期 4
·N
·
IF 0
Hongwei Liu,Zhenming Cui,Zhennan Qiao,Xiaokang An,Yongzhen Wang
Porous carbon materials (PCMs) are preferred as electrode materials for supercapacitor energy storage applications due to their superior characteristics. However, the optimal performance of these electrodes requires trial and error experimental exploration due to the complexity of influencing factors. To address this limitation, we develop a machine learning (ML) combined experimental validation approach to predict, screen and interpret ideal PCMs for supercapacitors. Four ML models are used for predicting the specific capacitance (SC) properties of PCMs and the light gradient boosting machine (LGBM) model exhibits the best prediction performance with an R2 value of 0.92. Through comprehensive interpretability analysis of ML, important variables influencing SC properties are identified and their impact range is determined. By analyzing the deviation of key values during experimental verification, accurate predictions of SC properties of PCMs are made, facilitating precise material screening. Additionally, the accuracy and applicability of the ML model predictions are evaluated. This research pioneered a key eigenvalue fall-point screening approach based on a combination of ML experiments for accurately predicting SC performance and screening of superior energy storage materials, providing a compelling strategy for advancing energy storage materials technology.
研究领域:
材料科学
·
能源存储
·
人工智能应用
✓ 已验证
DOI
MOLECULES
·
2023
·Vol. 28
·期 5
·2415
·
IF 4.6
Ao Xu,Yunlin Xue,Yuyu Zeng,Jing Li,Huiling Zhou,Zhen Wang,Yin Chen,Hui Chen,Jian Jin,Tao Zhuang
Furosemide is a widely used loop diuretic in the treatment of congestive heart failure and edema. During the preparation of furosemide, a new process-related impurity G in the levels ranging from 0.08% to 0.13% was detected in pilot batches by a new high performance liquid chromatography (HPLC) method. The new impurity was isolated and characterized by comprehensive analysis of FT-IR, Q-TOF/LC-MS, 1D-NMR (1H,13C, and DEPT), and 2D-NMR (1H-1H-COSY, HSQC, and HMBC) spectroscopy data. The possible formation pathway of impurity G was also discussed in detail. Moreover, a novel HPLC method was developed and validated for the determination of impurity G and the other six known impurities registered in the European Pharmacopoeia as per ICH guidelines. The HPLC method was validated with respect to system suitability, linearity, the limit of quantitation, the limit of detection, precision, accuracy, and robustness. The characterization of impurity G and the validation of its quantitative HPLC method were reported for the first time in this paper. Finally, the toxicological properties of impurity G were predicted by the in silico webserver ProTox-II.Keywords:furosemide;process-related impurity;characterization;Q-TOF/LC–MS and NMR;method validation
研究领域:
药物化学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）