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Stereoselective recognition of morphine enantiomers by μ-opioid receptor

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National Science Review 2024年第3期11卷 183-191页

作者： Yibo Wang Van A.Ngo Xiaohui Wang Laboratory of Chemical Biology Changchun Institute of Applied ChemistryChinese Academy of Sciences Advanced Computing for Life Sciences and Engineering group Science Engagement Section National Center for Computational Sciences Oak Ridge National Lab School of Applied Chemistry and Engineering University of Science and Technology of China Beijing National Laboratory for Molecular Sciences

Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor（MOR） exhibits binding affinity towards（-）-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the（+）-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of（-）-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast,（+）-morphine fails to sustain the activation state of ***, the results suggest that specific residues, namely D1142.50and D1473.32, are deprotonated in the active state of MOR bound to（-）-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.

关键词： stereoselective recognition thermodynamics and kinetics residence time morphine enantiomers μ-opioid receptor

Distinct enhancer-promoter modes determine Sox2 regulation in mouse pluripotent cells

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Genes & Diseases 2024年第1期11卷 26-29页

作者： Lei Huang Xiusheng Zhu Qing Li Dashuai Kong Qitong Huang Jing Luo Siyuan Kong Yanling Peng Yubo Zhang Animal Functional genomics group Shenzhen BranchGuangdong Laboratory for Lingnan Modern AgricultureKey Laboratory of Livestock and Poultry Multi-omics of MAPAShenzhen Agricultural Genome Research InstituteChinese Academyof Agricultural SciencesShenzhenGuangdong 518120China Animal Breeding and genomics Wageningen University&ResearchWageningen 6708PBNetherlands College of Life Science and Engineering Foshan UniversityFoshanGuangdong 528231China School of Life Sciences Henan UniversityKaifengHenan 475004China

Sox2 is a key transfer factor for maintaining pluripotency and self-renewal in embryonic stem cells(ESCs),1 though the mechanism of its transcriptional regulation in ESCs has not been fully *** enhancer-promoter interactions are vital for Sox2 transcription activity in ***,how these diverse interactions individually influence Sox2 gene regulation in mouse ESCs remains *** studies found that three distal enhancers(termed E1,E2,and E3)interact with Sox2 promoter?(Fig.1A;Fig.S1A,and Table S1).

关键词： Sox2 regulation distal

Integrating machine learning and genome editing for crop improvement

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aBIOTECH 2024年第2期5卷 262-277页

作者： Long Chen Guanqing Liu Tao Zhang Jiangsu Key Laboratory of Crop genomics and Molecular Breeding/Zhongshan Biological Breeding Laboratory/Key Laboratory of Plant Functional genomics of the Ministry of Education Agricultural College of Yangzhou UniversityYangzhou 225009China Jiangsu Co-Innovation Center for Modern Production Technology of Grain Crops/Jiangsu Key Laboratory of Crop Genetics and Physiology Yangzhou UniversityYangzhou 225009China

Genome editing is a promising technique that has been broadly utilized for basic gene function studies and trait ***,the exponential growth of computational power and big data now promote the application of machine learning for biological *** this regard,machine learning shows great potential in the refinement of genome editing systems and crop ***,we review the advances of machine learning to genome editing optimization,with emphasis placed on editing efficiency and specificity ***,we demonstrate how machine learning bridges genome editing and crop breeding,by accurate key site detection and guide RNA ***,we discuss the current challenges and prospects of these two techniques in crop *** integrating advanced genome editing techniques with machine learning,progress in crop breeding will be further accelerated in the future.

关键词： Machine learning Genome editing Crop improvement Molecular design breeding

Advancing pediatric exercise research:A focus on immunomics and cutting-edge technologies

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Journal of Sport and Health Science 2024年第5期13卷 679-681页

作者： Abel Plaza-Florido Alejandro Lucia Shlomit Radom-Aizik Pediatric Exercise and genomics Research Center Department of PediatricsSchool of MedicineUniversity of California at IrvineIrvineCA 92617USA Faculty of Sport Sciences Universidad Europea de MadridMadrid 28670Spain Physical Activity Health Research group(“PaHerg”) Research Institute of Hospital 12 de Octubre(“imas12”)Madrid 28041Spain

*** importance of immunomics in pediatric exercise research The profound effect that"acute"or"regular"exercise(i.e.,a single exercise session or repeated sessions over time,respectively)exerts on the immune system has been widely recognized.1 Acute exercise is largely"immuno-enhancing"(e.g.,it may even improve vaccine responses in"at-risk"patients),whereas regular exercise reduces the risk of chronic conditions(not only obesity,diabetes,or cardiovascular diseases,but also several types of cancer)partly due to its anti-inflammatory effects.

关键词： pediatric Acute vaccine

Anticancer effects of exercise:Insights from single-cell analysis

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Journal of Sport and Health Science 2024年第5期13卷 676-678页

作者： Abel Plaza-Florido Alejandro Lucia Shlomit Radom-Aizik Carmen Fiuza-Luces Pediatric Exercise and genomics Research Center Department of PediatricsSchool of MedicineUniversity of California IrvineIrvineCA 92617USA Faculty of Sport Sciences Universidad Europea de MadridMadrid 28670Spain Physical Activity and Health Research group(“PaHerg”) Research Institute of the Hospital 12 de Octubre(“imas12”)Madrid 28041Spain

A recent special topic in the Journal of Sport and Health Science reported the health benefits conferred by traditional and innovative m-health exercise and multimodal programs with respect to several types of cancer.... 详细信息

关键词： protective exercise modal

Genes linked to obesity-related infertility:bridging the knowledge gap

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Reproductive and Developmental Medicine 2024年第2期8卷 121-129页

作者： Praveen Kumar Chandra Sekar Ramakrishnan Veerabathiran Human Cytogenetics and genomics Laboratory Faculty of Allied Health SciencesChettinad Academy of Research and EducationKelambakkamTamil Nadu 603103India

Genetic factors play a pivotal role in the complex relationship between obesity and *** article delves into the genetics of obesity-related infertility,focusing on the essential genes and mechanisms in both *** explored infertility factors in obese females,focusing on polycystic ovary syndrome(PCOS)and the influence of genes like insulin receptor(INSR),androgen receptor(AR),and follicle-stimulating hormone receptor(FSHR).Epigenetic changes are believed to contribute to PCOS-related *** impact of adipokines and inflammation on obesity-related infertility has been discussed,with genes such as fat mass and obesity(FTO)and melanocortin-4-receptor(MC4R)playing significant *** factors affecting sperm quality and function,including nuclear receptor subfamily 3 group C member 1(NR3C1)and methylenetetrahydrofolate reductase(MTHFR),have been investigated in obesity-related infertility in *** dysregulation influenced by genetic markers,such as leptin receptor(LEPR),tumor necrosis factor-alpha(TNF-α),and interleukin-6(IL-6),was also *** factors play a vital role in obesity-related infertility in both *** involved in metabolism,hormonal regulation,and inflammation contribute to the complex association between obesity and *** changes further complicate the *** these genetic mechanisms is essential to address obesity-related infertility and develop personalized interventions.

关键词： Obesity Infertility PCOS DNA methylation Epigenetics

Study on tungsten sintering temperature field based on electromagnetic simulation and computational fluid dynamics

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Tungsten 2024年第2期6卷 355-366页

作者： Lu-Yan Wang Yue-Guang Yu Jian-Xin Dong Kai-Ping Du Shan-Yu Liu Cao-Bing Li University of Science and Technology Beijing Beijing 100083China BGRIMM Technology group Beijing 100160China China Iron&Steel Research Institute group Beijing 100081China

In order to study the influence of various sintering variables more intuitively and clearly,electromagnetic field analysis and computational fl uid dynamics are used to analyze the infl uence of gas flow,heating power and other process parameters on the temperature range of medium-frequency sintering in this *** results indicate that the uniformity of temperature fi eld is determined by the gas flow rate and heating *** the heating power is 50 kW,the stable temperature drops about 10 K for every 1 m^(3)·h^(−1)increase of hydrogen *** peak value of the maximum temperature diff erence on the tungsten rods gradually increases with the increase of the hydrogen flow rate,and it appears slightly *** temperature distribution of tungsten rods in furnace is similar with diff erent hydrogen flow *** the same time,the closer to the furnace wall,the higher the temperature of the tungsten *** temperature diff erence between tungsten rods mainly occurred within 1 h after the beginning of *** the heating power can improve the stable temperature,but has little eff ect on the heating *** heating power can increase the peak value of the maximum temperature diff erence on the tungsten rods,but has little eff ect on the occurrence time of the peak value of the maximum temperature diff erence on the tungsten *** the heating power will increase the temperature diff erence of a single tungsten rod,but the temperature diff erence of a single tungsten rod never exceeds 65 *** study can be used to guide the process optimization *** with numerical simulation calculation,the sintering parameters with low energy consumption and high temperature uniformity can be quickly and eff ectively found,thus improving the microstructure and properties of sintered tungsten products.

关键词： Tungsten products Sintering Hydrogen flow rate Heating power

Gene expression,transcription factor binding and histone modification predict leaf adaxial-abaxial polarity related genes

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Horticultural Plant Journal 2024年第4期10卷 971-982页

作者： Wei Sun Zhicheng Zhang Guusje Bonnema Xiaowu Wang Aalt Dirk Jan van Dijk State Key Laboratory of Vegetable Biobreeding Institute of Vegetables and FlowersChinese Academy of Agricultural SciencesBeijing 100081China Sino-Dutch Joint Lab of Vegetable genomics Beijing 100081China Bioinformatics group Wageningen University and Research6708 PB Wageningenthe Netherlands Plant Breeding Wageningen University and Research6708 PB Wageningenthe Netherlands Biosystems Data Analysis Swammerdam Institute for Life SciencesUniversity of Amsterdam1090 GE Amsterdamthe Netherlands

Leaf adaxial-abaxial(ad-abaxial)polarity is crucial for leaf morphology and function,but the genetic machinery governing this process remains *** uncover critical genes involved in leaf ad-abaxial patterning,we applied a combination of in silico prediction using machine learning(ML)and experimental analysis.A Random Forest model was trained using genes known to influence ad-abaxial polarity as ground *** expression data from various tissues and conditions as well as promoter regulation data derived from transcription factor chromatin immunoprecipitation sequencing(ChIP-seq)was used as input,enabling the prediction of novel ad-abaxial polarity-related genes and additional transcription *** to this,available and newly-obtained transcriptome data enabled us to identify genes differentially expressed across leaf ad-abaxial *** on these analyses,we obtained a set of 111 novel genes which are involved in leaf ad-abaxial *** explore implications for vegetable crop breeding,we examined the conservation of expression patterns between Arabidopsis and Brassica rapa using single-cell *** results demonstrated the utility of our computational approach for predicting candidate genes in crop *** findings expand the understanding of the genetic networks governing leaf ad-abaxial differentiation in agriculturally important vegetables,enhancing comprehension of natural variation impacting leaf morphology and development,with demonstrable breeding applications.

关键词： Machine learning Leaf polarity Arabidopsis thaliana Brassica rapa Transcription factor

Studies on the motion and radiation of interior plasmas in gas-filled hohlraums with different laser entrance hole sizes

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Plasma Science and Technology 2024年第7期26卷 40-47页

作者：郭亮李欣李琦李三伟胡昕李晋邓博邓克立王强强曹柱荣侯立飞车兴森杜华冰徐涛何小安李志超蒋小华蒋炜郑春阳郑无敌宋鹏丁永坤杨冬杨家敏 Research Center of Laser Fusion China Academy of Engineering PhysicsMianyang 621900People’s Republic of China Institute of Applied Physics and computational Mathematics Beijing 100088People’s Republic of China

An experiment on 100 k J laser facility is performed to study the motive features and radiation properties of plasmas from different areas inside gas-filled cylindrical *** hohlraums are designed to possess one open end and one laser entrance hole(LEH)with different diameters,which would or not result in the blocking of the *** x-ray streak camera that is set at 16 degrees with respect to the hohlraum axis is applied to acquire the timeresolved x-ray images from the open *** on the images,we can study the evolutions of the wall plasma,corona bubble plasma and LEH plasma simultaneously through an equivalent view field of hohlraum ***-group flat response x-ray detectors are applied to measure the x-ray *** order to understand these characteristics,our two-dimensional radiation hydrodynamic code is used to simulate the experimental *** the accuracy of reproduction,dielectronic recombination and two parameter corrections are applied in our *** on the comparison between experiments and simulations,we quantitatively understand the blocking process of LEH and the motion effects of other *** calibrated code is beneficial to design the gas-filled hohlraum in a nearby parameter space,especially the limit size of LEH.

关键词： gas-filled hohlraum plasma expansion LEH blocking