BRAZILIAN JOURNAL OF PHYSICS
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2003
·Vol. 33
·期 2
·231-237
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IF 0.678
Schwerer Otto
The Nuclear Data Section (NDS) of the International Atomic Energy Agency (IAEA) provides nuclear data services to scientists on a worldwide scale with particular emphasis on developing countries. More than 100 data libraries are made available cost-free by Internet, CD-ROM and other media. These databases are used for practically all areas of nuclear applications as well as basic research. An overview is given of the most important nuclear reaction and nuclear structure databases, such as EXFOR, CINDA, ENDF, NSR, ENSDF, NUDAT, and of selected special purpose libraries such as FENDL, RIPL, RNAL, the IAEA Photonuclear Data Library, and the IAEA charged-particle cross section database for medical radioisotope production. The NDS also coordinates two international nuclear data centre networks and is involved in data development activities (to create new or improve existing data libraries when the available data are inadequate) and in technology transfer to developing countries, e.g. through the installation and support of the mirror web site of the IAEA Nuclear Data Services at IPEN (operational since March 2000) and by organizing nuclear-data related workshops. By encouraging their participation in IAEA Co-ordinated Research Projects and also by compiling their experimental results in databases such as EXFOR, the NDS helps to make developing countries' contributions to nuclear science visible and conveniently available. The web address of the IAEA Nuclear Data Services is http://www-nds.iaea.org and the NDS mirror service at IPEN (Brasil) can be accessed at http://www-nds.ipen.br/
研究领域:
核物理学
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科学技术
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DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2025
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IF 2.8
Changhai Sun,Mengxin Xiao,Biyue Cui,Liting Mu,Shuting Zhang,Xinran Zhang,Shushuang Shen
In the current research on Scutellaria baicalensis, a substantial number of flavonoid isomers were identified. Given the limitations of existing analytical methods to accurately identify these isomers, the present study was conducted to determine the flavonoid isomers in Scutellaria baicalensis by combining the mass spectrometry database and stepwise multiple linear regression QSRR model of flavonoids established by the research group in the previous phase. The UHPLC-Q-Exactive Orbitrap-MS technique with isocratic elution injection was employed, and compositional analysis of Scutellaria baicalensis was conducted utilizing the mass spectrometry database to identify two groups of flavonoids and their isomers. The QSRR model was calibrated using standards, and the two groups of flavonoids and their isomers in Scutellaria baicalensis were distinguished and identified utilizing the QSRR model and calibration equation. In this investigation, two groups of flavonoids and their isomers in Scutellaria baicalensis were successfully identified and differentiated. The findings suggest that this QSRR model can be utilized to identify flavonoid isomers, providing a viable method for differentiating isomers of chemical components.
研究领域:
植物化学
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分析化学
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药学
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产品关联
DOI
PubMed
高影响因子
TOXICOLOGY IN VITRO
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2024
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IF 2.6
Nam-Hee Kang,Min Kyung Hyun,Seo Young Bang
After EU ban on animal testing for cosmetics in 2013, there has been an increasing global interest in alternatives test methods. To development for alternatives test method, we need to get the toxic data about in vitro and in vivo of chemicals. However, database sometimes provide limited in vivo and in vitro data on chemicals. Further, the data generated using the OECD TG439 ( in vitro skin irritation) are scattered in difference databases, and it is not easy to navigate through them. Therefore, we complied ‘Reference Chemical Database System for Skin Irritation Alternative Test (RCDS-Skin Irritation)’ to allow easy, one-stop access to test chemical information. We established the systematic RCDS-Skin Irritation by collecting physiochemical properties, CAS number, human data, and in vivo (OECD TG404) data from overseas chemicals database including European Chemicals Agency (ECHA) etc. , and in vitro data using Reconstructed human Epidermis (RhE) (OECD TG439). As a result, we developed the RCDS-Skin Irritation that contains information on 149 chemicals including the data we generated by performing tests using EpiDerm™ SIT, SkinEthic™ RHE and KeraSkin™ SIT. Therefore, the RCDS-Skin Irritation established based on our study will provide insight for safety assessment of chemicals and for development of alternative test methods.
研究领域:
毒理学
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生物学
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产品关联
DOI
PubMed
高影响因子
APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY
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2024
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IF 3.1
Chen Hua,Han Cailing,Ha Chunfang
Uterine corpus endometrial carcinoma (UCEC) is one of the most common gynecologic tumors. Due to the high recurrence and metastasis of UCEC, it is crucial for patients to find new biomarkers for diagnosis and therapy. In this study, R software and the TCGA database were used to screen candidate UCEC predictive markers. Western blot and RT-qPCR were performed to detect protein and mRNA expression of EXT1 in UCEC cell lines. In addition, MTT assay, flow cytometry, transwell assay, and wound healing assay were conducted to assess the cell viability, apoptosis, invasion, and migration in UCEC cells. Overlap-extension PCR technique was employed to construct the vector targeting the deletion of the methylated segment of EXT1. The results showed that a total of 11 candidate genes were obtained and EXT1 was identified as a potential target. The expression and methylation levels of EXT1 were both increased in UCEC tissues and cell lines, as well as elevated EXT1 was closely related to the poor prognosis of patients. Besides, the knockdown of EXT1 significantly inhibited the malignant biological behaviors in UCEC cells. Additionally, the current study also found that the deletion of 1559–2146 bp CpG island segment upregulated EXT1 expression and promoted malignant biological behaviors in UCEC cells. Furthermore, the presence of m7G RNA methylation in UCEC cells also was found. In conclusion, the methylation of EXT1 influenced the gene expression, thereby affecting the malignant biological behaviors in UCEC cells and regulating the pathological progression of UCEC. Graphical
研究领域:
肿瘤学
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分子生物学
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基因组学
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产品关联
DOI
PubMed
高影响因子
CRYSTAL GROWTH & DESIGN
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2020
·
IF 4.089
Dingyan Wang,Zeen Yang,Bingqing Zhu,Xuefeng Mei,Xiaomin Luo
A machine-learning model trained on the whole Cambridge Structural Database was developed to assist high-throughput cocrystal screening. With only 2D structures taken as inputs, the probability of cocrystal formation is returned for two given molecules. All of the cocrystal records in the CSD were used as positive samples, while negative samples were constructed by randomly combining different molecules into chemical pairs. Our model showed a prediction ability comparable with that of a widely used ab initio method in a head-to-head comparison test. Both experimental and virtual cocrystal screening against captopril were conducted at the same time to further validate the model. Two cocrystals of captopril with l-proline and sarcosine were obtained and characterized by PXRD, DSC, and FT-IR. These two coformers were also successfully predicted by our model. These results suggest that the tool we developed can be used to effectively guide coformer selection in the discovery of new cocrystals.
研究领域:
化学信息学
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材料科学
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药物化学
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DOI
高影响因子
PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY
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2021
·
IF 3.963
Meng-Wen Yan,Xiao-Rong Xing,Fu-An Wu,Jun Wang,Sheng Sheng
Meteorus pulchricornis (Wesmael) (Hymenoptera: Braconidae) is a predominant endoparasitoid of lepidopteran pests in mulberry fields. Extensive application of insecticides puts natural enemies under threat. UDP-glycosyltransferases (UGTs), as important detoxification enzymes , potentially contribute to the detoxification of pesticides in insects. To investigate the roles of UGTs in the process of tolerance towards commonly used insecticides in M. pulchricornis , ten UGT genes were identified from the transcriptome database of M. pulchricornis . Seven UGT genes contained full-length ORFs and shared 47.12–78.28% identity with other homologous hymenopteran insects. qRT-PCR validation revealed that UGT genes can be induced by treatment of sublethal doses of phoxim, cypermethrin and chlorfenapyr, respectively, and these upregulations were depending on the time post insecticide treatments. To further explore the functions of UGT genes, three MpulUGT genes were singly knocked down, which resulted in the decline of UGT expression and significantly increased mortality of parasitoids under sublethal doses of insecticides exposure. This study revealed that UGTs in M. pulchricornis contributed to the tolerance towards insecticides and provided basic insight into the insecticide detoxification mechanism in parasitoid wasps .
研究领域:
昆虫学
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分子生物学
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害虫管理
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DOI
PubMed
高影响因子
CHROMATOGRAPHIA
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2019
·Vol. 83
·期 1
·87-93
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IF 1.552
Cui Peng,Fang Hong-Xia,Qian Chen,Cheng Man-Huan
In this study, based on depolymerization solution of commercially available sodium lignosulfonate under mild conditions, an efficient method for the chromatographic separation of lignosulfonate depolymerization products was firstly established. The self-built database contains 18 lignin-based standards and the information on their names, formulas, structures, retention times, fragments, and corresponding MS E data was developed. By searching the online spectral data in a novel informatics database, a total of nine aromatic lignin depolymerization products were identified automatically. Thus, a fast standard protocol for detection and identification of real lignin degradation products was preliminary built.
研究领域:
分析化学
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林产化学
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环境科学
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DOI
高影响因子
FOOD QUALITY AND PREFERENCE
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2020
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IF 4.842
Ruicong Zhi,Chenyang Wang,Xin Hu,Caixia Zhou,Mengyi Liu,Jingru Zhao,Yiping Zuo
The emotional reactions that certain products evoke (like or dislike) play a key role in the user acceptance or preference toward these products and influence the choice behaviors. Facial expressions constitute a primary channel to express and communicate emotions. In particular, the facial reactions evoked by certain stimuli are generated subconsciously, and they can be easily captured by video recording. However, it is challenging to quantify and objectively describe facial expressions. Until now, most implicit measurements based on facial expression analyses have been implemented considering “basic emotions”, which cannot directly represent like/dislike. How can we identify the affective state of consumers directly by using facial expression analysis technology? In this study, hedonic rating categories are defined based on the hedonic scale, and automatic facial expression analysis technology is applied to evaluate the suitability of the defined categories. Moreover, a visual multimodal facial database (RGB, depth, and infrared images) for the hedonic recognition of Asian individuals is constructed. A hybrid deep learning framework is employed to exploit the spatiotemporal information of the collected data to realize hedonic recognition. Early and late fusion strategies are used to investigate the suitability of the individual modalities and their complementarity. The experimental results indicate that the late fusion of the three modalities yielded the highest recognition accuracy compared to those obtained using individual modalities and the early fusion scheme. These results demonstrate the effectiveness of fusing different visual facial data and indicate that the use of multimodality-based facial expression analyses could enhance the accuracy of hedonic recognition.
研究领域:
计算机科学
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人机交互
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情感计算
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DOI
高影响因子
Heliyon
·
2024
·
IF 3.4
Jiaxiao Cai,Suxing Tuo,Yanchun Li,Hongbing Lu,Yizi Wu,You Zou,Zhen Ma,Yuqi Cui,Bo Kong,Kejun Zhong
This article proposes a novel approach for improving the efficiency of fragrance designing and the accuracy of automatic fragrance formula creation based on empirical fragrance formulas and graph traversal algorithms. By effectively extracting the composition information and further analyzing the combination of fragrance materials in 210 fragrance formulas, a relational network model was constructed in the form of a graph to illustrate the relationship between the ingredients used in the formulas. Additionally, a fragrance ingredients information database of 344 common ingredients was constructed and used as a reference for perfumers when setting algorithmic constraints based on their experience. Finally, an automatic fragrance formula creation algorithm was established by constructing a relational network subgraph and finding fragrance formula solutions with the help of depth-first search algorithm that satisfies the constraint conditions and combining with appropriate statistical strategy that could determine the usage of each component in the new fragrance formula. By testing the algorithm with the goal of creating a floral fragrance, the resulting formula well fulfilled our expectations and had practical application value.
研究领域:
化学信息学
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人工智能应用
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香料科学
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DOI
PubMed
高影响因子
ELECTROPHORESIS
·
2019
·Vol. 40
·期 20
·2644-2654
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IF 2.754
Hancheng Zheng,Ruiyang Tao,Jingyi Zhang,Jiashuo Zhang,Shouyu Wang,Zihao Yang,Qiannan Xu,Yuzhen Gao,Suhua Zhang,Chengtao Li
Human identification and paternity testing are usually based on the study of STRs depending on their particular characteristics in the forensic investigation. In this paper, we developed a sensitive genotyping system, SiFaSTR ™ 23-plex, which is able to characterize 18 expanded Combined DNA Index System STRs (D3S1358, D5S818, D2S1338, TPOX, CSF1PO, TH01, vWA, D7S820, D21S11, D10S1248, D8S1179, D1S1656, D18S51, D12S391, D19S433, D16S539, D13S317, and FGA), three highly polymorphic STRs among Chinese people (Penta D, Penta E, and D6S1043), one Y-chromosome Indel and amelogenin using a multiplex PCR; the PCR amplified products were analyzed using the Applied Biosystems 3500 Genetic Analyzer. Full genotyping profiles were obtained using only 31.25 pg of control DNA; various case-type specimens, as well as ten-year-old samples were also successfully genotyped. Additionally, in the validation studies, this multiplex was demonstrated to be human-specific and compatible with the interference of multiple PCR inhibitors. The system also enabled the detection of mixtures, and complete profiles could be obtained at the mixed ratios of 1:1, 1:3, and 3:1. The development and validation study here illustrated that the SiFaSTR ™ 23-plex system is accurate, powerful, and more sensitive than many other systems. What's more, the population data in our study not only illustrated that this 23-plex typing system was straightforward and efficient but also expanded the Chinese STR database, which could facilitate the appropriate application of the 23 genetic markers in forensic genetics, especially in the Chinese population.
研究领域:
遗传学
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法医学
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DOI
PubMed
高影响因子
CELL
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2025
·
IF 42.5
Yong Ding,Xi Luo,Jiasheng Guo,Baiying Xing,Haoyu Lin,Haohan Ma,Yicun Wang,Meng Li,Chuan Ye,Sen Yan,Kangjie Lin,Jinxin Zhang,Yingying Zhuo,Qixing Nie,Donghui Yang,Zhipeng Zhang,Yanli Pang,Kai Wang,Ming Ma,Luhua Lai,Changtao Jiang
The modifications of bile acids (BAs) are fundamental to their role in host physiology and pathology. Identifying their synthetases is crucial for uncovering the diversity of BAs and developing targeted interventions, yet it remains a significant challenge. To address this hurdle, we developed an artificial intelligence (AI)-assisted workflow, bile acid enzyme announcer unit tool (BEAUT), which predicted over 600,000 candidate BA metabolic enzymes that we compiled into the human generalized microbial BA metabolic enzyme (HGBME) database ( https://beaut.bjmu.edu.cn ). We identified a series of uncharacterized BA enzymes, including monoacid acylated BA hydrolase (MABH) and 3-acetoDCA synthetase (ADS). Notably, ADS can produce an unreported skeleton BA, 3-acetoDCA, with a carbon-carbon bond extension. After determining its bacterial source and catalytic mechanism, we found that 3-acetoDCA is widely distributed among populations and regulates the microbial interactions in the gut. In conclusion, our work offers alternative insights into the relationship between microbial BAs and the host from an enzymatic perspective.
研究领域:
微生物学
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生物信息学
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代谢工程
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人工智能
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宿主-微生物互作
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产品关联
DOI
PubMed
高影响因子
Chemical Science
·
2024
·Vol. 15
·期 33
·13359-13368
·
IF 7.6
Sicong Ma,Yanwei Cao,Yun-Fei Shi,Cheng Shang,Lin He,Zhi-Pan Liu
The design of highly active catalysts is a main theme in organic chemistry, but it still relies heavily on expert experience. Herein, powered by machine-learning global structure exploration, we forge a Metal–Phosphine Catalyst Database (MPCD) with a meticulously designed ligand replacement energy metric, a key descriptor to describe the metal–ligand interactions. It pushes the rational design of organometallic catalysts to a quantitative era, where a ±10 kJ mol−1 window of relative ligand binding strength, a so-called active ligand space (ALS), is identified for highly effective catalyst screening. We highlight the chemistry interpretability and effectiveness of ALS for various C–N, C–C and C–S cross-coupling reactions via a Sabatier-principle-based volcano plot and demonstrate its predictive power in discovering low-cost ligands in catalyzing Suzuki cross-coupling involving aryl chloride. The advent of the MPCD provides a data-driven new route for speeding up organometallic catalysis and other applications.
研究领域:
有机化学
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催化科学
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数据科学
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DOI
高影响因子
危险品化学品经营许可证（带存储）