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The future of pharmaceuticals:Artificial intelligence in drug discovery and development 被引量:1
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作者 Chen Fu Qiuchen Chen 《Journal of Pharmaceutical Analysis》 2025年第8期1703-1723,共21页
Artificial intelligence(AI)is revolutionizing traditional drug discovery and development models by seamlessly integrating data,computational power,and algorithms.This synergy enhances the efficiency,accuracy,and succe... Artificial intelligence(AI)is revolutionizing traditional drug discovery and development models by seamlessly integrating data,computational power,and algorithms.This synergy enhances the efficiency,accuracy,and success rates of drug research,shortens development timelines,and reduces costs.Coupled with machine learning(ML)and deep learning(DL),AI has demonstrated significant advancements across various domains,including drug characterization,target discovery and validation,small molecule drug design,and the acceleration of clinical trials.Through molecular generation techniques,AI facilitates the creation of novel drug molecules,predicting their properties and activities,while virtual screening(VS)optimizes drug candidates.Additionally,AI enhances clinical trial efficiency by predicting outcomes,designing trials,and enabling drug repositioning.However,AI's application in drug development faces challenges,including the need for robust data-sharing mechanisms and the establishment of more comprehensive intellectual property protections for algorithms.AI-driven pharmaceutical companies must also integrate biological sciences and algorithms effectively,ensuring the successful fusion of wet and dry laboratory experiments.Despite these challenges,the potential of AI in drug development remains undeniable.As AI technology evolves and these barriers are addressed,AI-driven therapeutics are poised for a broader and more impactful future in the pharmaceutical industry. 展开更多
关键词 AI DRUGS Research and development Machine learning
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The physics of icing drops under complex conditions
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作者 Feng Wang Hao Zeng +3 位作者 Sergio Peralta Julien Sebilleau Chao Sun Dominique Legendre 《Acta Mechanica Sinica》 2025年第7期180-196,共17页
Icing of water droplets is a ubiquitous phenomenon with significant implications across natural systems and industrial applications.Despite extensive research,the intricate interplay among heat transfer,mass transport... Icing of water droplets is a ubiquitous phenomenon with significant implications across natural systems and industrial applications.Despite extensive research,the intricate interplay among heat transfer,mass transport,and phase change during droplet freezing remains incompletely understood,particularly in the context of multiscale dynamics and environmental dependencies.This review critically examines recent advances in uncovering the fundamental mechanisms of droplet icing through experimental,theoretical,and computational approaches.We begin by revisiting the classical tip singularity problem in the freezing of pure water droplets,analyzing its mathematical formulation and physical significance.Subsequent sections explore how environmental boundary conditions and multicomponent effects influence freezing kinetics,solute redistribution,and ice morphology.Furthermore,we evaluate emerging hybrid numerical frameworks that resolve coupled multiphase physics during solidification processes.Finally,we identify key challenges and open questions that require further investigation in this field. 展开更多
关键词 Icing droplet Multiphase flow Interfacial flow Numerical simulation
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Molecular mechanisms of paclitaxel and NM-3 on human gastric cancer in a severe combined immune deficiency mice orthotopic implantation model 被引量:6
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作者 Jin-Shui Zhu Ming-Quan Song +3 位作者 Guo-Qiang Chen Qin Li Qun Sun Qiang Zhang 《World Journal of Gastroenterology》 SCIE CAS CSCD 2007年第30期4131-4135,共5页
AIM: To explore the molecular mechanisms of action of paclitaxel and NM-3 on human gastric cancer in severe combined immune deficiency (SCID) mice. METHODS: Human gastric cancer cells SGC-7901 were implanted into SCID... AIM: To explore the molecular mechanisms of action of paclitaxel and NM-3 on human gastric cancer in severe combined immune deficiency (SCID) mice. METHODS: Human gastric cancer cells SGC-7901 were implanted into SCID mice and mice were treated with paclitaxel and NM-3. The effects of paclitaxel and NM-3 on apoptosis of human gastric cancer cells were analyzed using flow cytometry, TUNEL assays, and DNA fragment analyses. RESULTS: Apoptosis of SGC-7901 cells was successfully induced by paclitaxel, NM-3, and the combination of paclitaxel and NM-3 24 h after injection as shown by the presence of apoptotic hypodiploid peaks on the flow cytometer before G1-S and a characteristic apoptotic band pattern in the DNA electrophoresis. The apoptotic rate detected by TUNEL assay was found to be significantly higher in the paclitaxel/NM-3 compared to the control group (38.5% ± 5.14% vs 13.2% ± 1.75%, P < 0.01). CONCLUSION: Paclitaxel in combination with NM-3 is able to induce apoptosis of the human gastric cancer cells in SCID mice effectively and synergistically. 展开更多
关键词 Gastric cancer NM-3 PACLITAXEL
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Hydrogen agronomy:research progress and prospects 被引量:3
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作者 Yue-qiao WANG Yu-hao LIU +2 位作者 Shu WANG Hong-mei DU Wen-biao SHEN 《Journal of Zhejiang University-Science B(Biomedicine & Biotechnology)》 SCIE CAS CSCD 2020年第11期841-855,共15页
Agriculture is the foundation of social development.Under the pressure of population growth,natural disasters,environmental pollution,climate change,and food safety,the interdisciplinary"new agriculture"is b... Agriculture is the foundation of social development.Under the pressure of population growth,natural disasters,environmental pollution,climate change,and food safety,the interdisciplinary"new agriculture"is becoming an important trend of modern agriculture.In fact,new agriculture is not only the foundation of great health and new energy sources,but is also the cornerstone of national food security,energy security,and biosafety.Hydrogen agronomy focuses mainly on the mechanism of hydrogen gas(H2)biology effects in agriculture,and provides a theoretical foundation for the practice of hydrogen agriculture,a component of the new agriculture.Previous research on the biological effects of H2 focused chiefly on medicine.The mechanism of selective antioxidant is the main theoretical basis of hydrogen medicine.Subsequent experiments have demonstrated that H2 can regulate the growth and development of plant crops,edible fungus,and livestock,and enhance the tolerance of these agriculturally important organisms against abiotic and biotic stresses.Even more importantly,H2 can regulate the growth and development of crops by changing the soil microbial community composition and structure.Use of H2 can also improve the nutritional value and postharvest quality of agricultural products.Researchers have also shown that the biological functions of molecular hydrogen are mediated by modulating reactive oxygen species(ROS),nitric oxide(NO),and carbon monoxide(CO)signaling cascades in plants and microbes.This review summarizes and clarifies the history of hydrogen agronomy and describes recent progress in the field.We also argue that emerging hydrogen agriculture will be an important direction in the new agriculture.Further,we discuss several scientific problems in hydrogen agronomy,and suggest that the future of hydrogen agronomy depends on contributions by multiple disciplines.Important future research directions of hydrogen agronomy include hydrogen agriculture in special environments,such as islands,reefs,aircraft,and outer space. 展开更多
关键词 Hydrogen gas(H2) Hydrogen agronomy New agriculture
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Genetic control of compound leaf development in the mungbean(Vigna radiata L.) 被引量:3
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作者 Keyuan Jiao Xin Li +6 位作者 Shihao Su Wuxiu Guo Yafang Guo Yining Guan Zhubing Hu Zhenguo Shen Da Luo 《Horticulture Research》 SCIE 2019年第1期1571-1582,共12页
Many studies suggest that there are distinct regulatory processes controlling compound leaf development in different clades of legumes.Loss of function of the LEAFY(LFY)orthologs results in a reduction of leaf complex... Many studies suggest that there are distinct regulatory processes controlling compound leaf development in different clades of legumes.Loss of function of the LEAFY(LFY)orthologs results in a reduction of leaf complexity to different degrees in inverted repeat-lacking clade(IRLC)and non-IRLC species.To further understand the role of LFY orthologs and the molecular mechanism in compound leaf development in non-IRLC plants,we studied leaf development in unifoliate leaf(un)mutant,a classical mutant of mungbean(Vigna radiata L.),which showed a complete conversion of compound leaves into simple leaves.Our analysis revealed that UN encoded the mungbean LFY ortholog(VrLFY)and played a significant role in leaf development.In situ RNA hybridization results showed that STM-like KNOXI genes were expressed in compound leaf primordia in mungbean.Furthermore,increased leaflet number in heptafoliate leaflets1(hel1)mutants was demonstrated to depend on the function of VrLFY and KNOXI genes in mungbean.Our results suggested that HEL1 is a key factor coordinating distinct processes in the control of compound leaf development in mungbean and its related non-IRLC legumes. 展开更多
关键词 Vigna COMPOUND DEVELOPMENT
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Effects of topiramate on hippocampal neuronal apoptosis in rats after kainic acid-evoked seizures
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作者 Yuan Wu Jiarong Pang +4 位作者 Jinou Zheng Xiaoqing Deng Xiulin Liang Jiaquan Li ZhiyingChen 《Neural Regeneration Research》 SCIE CAS CSCD 2008年第2期212-215,共4页
BACKGROUND: Apoptosis plays an important role in brain injury after seizures and the formation of chronic epilepsy. It is important to investigate whether topiramate exhibits either antiepileptic and/or antiapoptotic... BACKGROUND: Apoptosis plays an important role in brain injury after seizures and the formation of chronic epilepsy. It is important to investigate whether topiramate exhibits either antiepileptic and/or antiapoptotic effects on hippocampal neurons. OBJECTIVE: To observe neuronal apoptosis in hippocampus of rat seizure models, and to investigate the antagonizing effect of topiramate on neuronal apoptosis after seizures. DESIGN: An animal experiment of comparative observation. SETTING: First Affiliated Hospital of Guangxi Medical University. MATERIALS: Sixty healthy male Sprague Dawley (SD) rats, 4-6 weeks old and weighing 160-220 g, were provided by the Experimental Animal Center of Guangxi Medical University. Main apparatus and reagents were as follows: Rat brain solid positioner (SR-6N, made in Japan); kainic acid by Sigma (USA); pathological image analyzer (DMR+550) by Leica (Germany); in situ apoptosis detection kit by Wuhan Boster Biological Technology Co., Ltd; topiramate by Xi'an-Janssen Pharmaceutical, Ltd. The treatment on animals in the experiment was in accordance with the standards of animal ethics. METHODS: The experiments were performed at the Scientific Experimental Center of Guangxi Medical University from June to December 2006. The rats were randomly divided into a topiramate-treated group (n = 30) and a model group (n = 30). ① After anesthesia, all rats were administered a kainic acid injection (0.2 μL, 2 g/L) into the right lateral ventricle. Grade Ⅲ and greater Racine standards were considered to be a successful model establishment. Thirty minutes after seizure , rats in the topiramate-treated group were treated with an intraperitoneal (i.p.) injection of topiramate every day (40 mg/kg/d) for 2 weeks. The rats in the model group were treated with an equal volume of saline for 2 weeks. ③ Six rats in the topiramate-treated group were sacrificed at 1 day, and 1, 2, 3, and 4 weeks after treatment, respectively. The model group animals were sacrificed at corresponding time points. The brain tissues of hippocampal dentate gyrus, CA1, CA2, and CA3 region were removed and prepared into sections. Neuronal apoptosis was detected with in situ terminal deoxynucleotidyl transferase dUTP nick-end labeling. MAIN OUTCOME MEASURES: Hippocampal neuronal apoptosis in various rat brain areas was detected in the two groups. RESULTS: All 60 rats were included in the final analysis of results. In the topiramate-treated group, the number of apoptotic cells in hippocampal dentate gyrus and CA3 region at 1 day, 1, and 4 weeks after seizures were significantly lower than the model group (P 〈 0.05-0.01). The number of apoptotic cells in hippocampal CA1 and CA2 regions at 1 day and 4 weeks after seizures in the topiramate-treated group were significantly lower than the model group (P 〈 0.05). CONCLUSION: Hippocampal apoptosis is closely associated with kainic acid-evoked seizures, and topiramate can alleviate early (1 day and 1 week) and delayed (4 weeks) hippocampal neuronal injury induced by kainic acid. 展开更多
关键词 SEIZURE NEURON APOPTOSIS TOPIRAMATE
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Mechanics and physics under supergravity conditions
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作者 Chaofeng Lü Chao Sun Shengqiang Cai 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2024年第6期1-2,共2页
"Supergravity"refers to the conditions where the effective gravity is greater than that of Earth.Supergravity conditions are generally relevant to stellar evolution,geophysical movement,astrophysical flows,a... "Supergravity"refers to the conditions where the effective gravity is greater than that of Earth.Supergravity conditions are generally relevant to stellar evolution,geophysical movement,astrophysical flows,and more.They also frequently occur in various engineering scenarios involving acceleration,such as the launch of space shuttles,operation of rotor engines,impacts and explosions,chemical separation processes,and overloaded testing experiments.It is already demonstrated in physiological experiments that living organisms of animals or plants could be damaged,either temporarily or permanently,when subjected to supergravity.To create supergravity conditions for scientific research on the Earth,centrifugal equipment or rapidly rotating devices are omnipresent in various fields,such as aerospace engineering,geophysical science,chemical and biomedical engineering,nuclear engineering,rotating flows,and physical modeling tests. 展开更多
关键词 GEOPHYSICAL EARTH STELLAR
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Characterization and removal of contaminants in lithography
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作者 Yawen Gao Changsheng Chen +2 位作者 Feng Wang Mingbo Li Chao Sun 《Science China(Physics,Mechanics & Astronomy)》 2025年第9期3-15,共13页
Photolithography is a foundational technique for manufacture compact chips in semiconductor industries.Regulating and cleaning contaminants in lithographic processes are crucial for achieving the higher resolution and... Photolithography is a foundational technique for manufacture compact chips in semiconductor industries.Regulating and cleaning contaminants in lithographic processes are crucial for achieving the higher resolution and smaller feature sizes,which contain a variety of physical phenomena related to fluid dynamics.In this review,we will first introduce the basic principles of two mainstream lithography,namely deep ultraviolet(DUV)lithography and extreme ultraviolet(EUV)lithography.We critically review several types of contaminants such as droplets,bubbles,particles and chemical organic pollutants,highlighting the advanced techniques for identifying the nano-substances and fluid behaviours.Then the control strategies for mitigating contaminants are reviewed,especially for the contamination removal on photomask,the improvement on the purity of immersion liquid and efficient cleaning treatment for wafer surface.This review underscores the critical need for advanced contaminant management strategies in photolithography,integrating innovative cleaning techniques that promise to elevate lithographic performance and drive future developments in semiconductor technology. 展开更多
关键词 PHOTOLITHOGRAPHY immersion fluid contamination DROPLET BUBBLE particle
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Carbon Monoxide: A Novel Antioxidant Against Oxidative Stress in Wheat Seedling Leaves 被引量:4
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作者 Zhi-Sheng Sa Li-Qin Huang +5 位作者 Guo-Lin Wu Jin-Peng Ding Xiao-Yue Chen Tian Yu Ci Shi Wen-Biao Shen 《Journal of Integrative Plant Biology》 SCIE CAS CSCD 2007年第5期638-645,共8页
Carbon monoxide (CO), an endogenous signaling molecule in animals, also provides potent cytoprotective effects including attenuation of lung lipid peroxidation induced by oxidant in the mouse. Our recent work demons... Carbon monoxide (CO), an endogenous signaling molecule in animals, also provides potent cytoprotective effects including attenuation of lung lipid peroxidation induced by oxidant in the mouse. Our recent work demonstrated that 0.01 μmol/L hematin (a CO donor) treatment of wheat plants alleviated salt-induced oxidative damage in seedling leaves. In this report, we further discovered that hematin pretreatment (≤ 0.1 μmol/L) could delay wheat leaf chlorophyll loss mediated by further treatment of H202 and paraquat, two reactive oxygen species (ROS) sources, in dose-and even time-dependent manners. Also, compared with the control samples, seedling leaves pretreated with 0.01 or 0.1 μmol/L hematin for 24 h exhibited lower levels of H2O2 and lipid peroxidation, as well as higher contents of chlorophyll and activities of antioxidant enzymes. Such beneficial effects exerted by hematin were mimicked by the pretreatment of antioxidant butylated hydroxytoluene (BHT), and differentially reversed when CO scavenger hemoglobin (Hb), or CO specific synthetic inhibitor ZnPPIX was added, respectively. Taken together, the results presented In this paper directly illustrate for the first time that CO is able to strongly protect plants from oxidative damage caused by the overproduction of ROS, and strengthens the evidence that CO is a potent antioxidant in various abiotic and biotic stresses, as similar results have been shown in animal tissues. 展开更多
关键词 ANTIOXIDANT carbon monoxide chlorophyll loss hydrogen peroxide oxidative stress PARAQUAT wheat
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Chemical synthesis of Ub-AMC via ligation of peptide hydrazides 被引量:4
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作者 LIANG Jun FANG GeMin +4 位作者 HUANG XiuLiang MEI ZiQing LI Juan TIAN ChangLin LIU Lei 《Science China Chemistry》 SCIE EI CAS 2013年第9期1301-1306,共6页
The C-terminal conjugate of ubiquitin with 7-amino-4-methylcoumarin (Ub-AMC) is an important probe for fluorescencebased analysis of deubiquitinating enzyme (DUB) activity. It is important to develop more efficien... The C-terminal conjugate of ubiquitin with 7-amino-4-methylcoumarin (Ub-AMC) is an important probe for fluorescencebased analysis of deubiquitinating enzyme (DUB) activity. It is important to develop more efficient methods for the preparation of Ub-AMC because the currently available technology is still expensive for scaled-up production. In the present work we report an efficient strategy for total chemical synthesis of Ub-AMC through ligation of peptide hydrazides. Three peptide segments are assembled via N-to-C sequential ligation and the resulting product is converted to Ub-AMC via TCEP-mediated desulfurization. The synthetic Ub-AMC is shown to have expected biological functions throug 展开更多
关键词 h the measurement of its DUB activity.ligation of peptide hydrazides peptide segment condensation deubiquitinating enzymes UBIQUITIN
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解锁作物多样性:通过基因组编辑增加遗传变异 被引量:1
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作者 邹金鹏 黄勇 +1 位作者 高彩霞 王克剑 《Science Bulletin》 SCIE EI CAS CSCD 2024年第3期281-284,共4页
The germplasm resource repository harbors an extensive collection of genetic variations,providing a crucial foundation for the survival and sustainable development of humankind.Throughout history,major agricultural br... The germplasm resource repository harbors an extensive collection of genetic variations,providing a crucial foundation for the survival and sustainable development of humankind.Throughout history,major agricultural breakthroughs have relied on safeguarding,exploring,and harnessing germplasm resources.However,the pursuit of high yields in modern agriculture has led to a continuous reduction in biodiversity,resulting in monocultures and an undesirable homogeneity of breeding materials.As a consequence,germplasm resources are facing the alarming prospect of accelerated loss leading to a decline in crop diversity.Furthermore,modern agricultural varieties encounter formidable challenges in terms of adapting to unfavorable growing conditions,such as environmental heterogeneity and the prevalence of pests and pathogens(Fig.1a).Enhancing the genetic variability of modern crops becomes paramount for fostering innovation within germplasm resources and ensuring food security. 展开更多
关键词 GERMPLASM BREEDING CROPS
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Characterization of maize leaf pyruvate orthophosphate dikinase using high throughput sequencing 被引量:3
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作者 Yuling Zhang Rita Giuliani +10 位作者 Youjun Zhang Yang Zhang Wagner Luiz Araujo Baichen Wang Peng Liu Qi Sun Asaph Cousins Gerald Edwards Alisdair Fernie Thomas P. Brutnell Pinghua Li 《Journal of Integrative Plant Biology》 SCIE CAS CSCD 2018年第8期670-690,共21页
In C4 photosynthesis, pyruvate orthophosphate dikinase (PPDK) catalyzes the regeneration of phospho- enolpyruvate in the carbon shuttle pathway. Although the biochemical function of PPDK in maize is well characteriz... In C4 photosynthesis, pyruvate orthophosphate dikinase (PPDK) catalyzes the regeneration of phospho- enolpyruvate in the carbon shuttle pathway. Although the biochemical function of PPDK in maize is well characterized, a genetic analysis of PPDK has not been reported. In this study, we use the maize transposable elements Nlutator and Ds to generate multiple mutant alleles of PPDK. Loss-of- function mutants are seedling lethal, even when plants were grown under 2% CO2, and they show very low capacity for CO2 assimilation, indicating C4 photosynthesis is essential in maize. Using RNA-seq and GC-MS technologies, we exam- ined the transcriptional and metabolic responses to a deficiency in PPDK activity. These results indicate loss of PPDK results in downregulation of gene expression ofenzymes of the C4 cycle, the Calvin cycle, and components of photochemistry. Furthermore, the loss of PPDK did not change Kranz anatomy, indicating that this metabolic defect in the C4 cycle did not impinge on the morphological differentiation of C4 characters. However, sugar metabolism and nitrogen utilization were altered in the mutants. An interaction between light intensity and genotype was also detected from transcriptome profiling, suggesting altered transcriptional and metabolic responses to environmental and endogenous signals in the PPDK mutants. 展开更多
关键词 Characterization of maize leaf pyruvate orthophosphate dikinase using high throughput sequencing
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Creating one-line hybrid crops by synthetic apomixis
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作者 Ronghong Liang Caixia Gao 《Molecular Plant》 SCIE CSCD 2024年第1期16-18,共3页
Hybrid breeding plays an important role in increasing crop yields by taking advantage of hybrid vigor,which helps crops grow with superior yields across various climates and contributes to ensuring secure food product... Hybrid breeding plays an important role in increasing crop yields by taking advantage of hybrid vigor,which helps crops grow with superior yields across various climates and contributes to ensuring secure food production.Hybrid seed production is relatively straightforward and simple in cross-pollinating plants such as maize but is difficult in self-pollinating plants such as rice,wheat,and soybean.Therefore,breeders have developed a three-line breeding strategy,utilizing a sterile line,a maintainer line,and a restorer line,for breeding hybrid rice(Figure 1A;Yuan,1966). 展开更多
关键词 BREEDING CROPS STERILE
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Synthesis, Crystal Structure and Electrochemical Property of 3a,4,5,8,9,9a,10,11-Octahydro-2H,3H-1,6,7,12-tetrathiaperylene (H_(10)TTPR)
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作者 邵向锋 詹传郎 +4 位作者 汪成 张德清 徐伟 刘彩明 朱道本 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2004年第11期1330-1335,共6页
H10TTPR was prepared starting from terephthalaldehyde and characterized. Crystal structure of H10TTPR and an intermediate compound 11 were determined by X-ray diffraction analysis. A quasi-reversible redox wave at 1.1... H10TTPR was prepared starting from terephthalaldehyde and characterized. Crystal structure of H10TTPR and an intermediate compound 11 were determined by X-ray diffraction analysis. A quasi-reversible redox wave at 1.15 V (vs. SCE) was observed for H10TTPR, indicating that it is a weak electron donor. 展开更多
关键词 SYNTHESIS crystal structure electron donor oxidation potential
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Shedding light on gene therapy of Parkinson’s disease in non-human primates
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作者 Xunyi Yan Xin Jin 《The Innovation》 EI 2024年第2期15-16,共2页
Parkinson’s disease(PD)is a progressive neurodegeneration disease initially described by James Parkinson.It is typically diagnosed based on clinical features such as bradykinesia,resting tremor,rigidity,and,in later ... Parkinson’s disease(PD)is a progressive neurodegeneration disease initially described by James Parkinson.It is typically diagnosed based on clinical features such as bradykinesia,resting tremor,rigidity,and,in later stages,postural instability.Epidemiologically,the prevalence of PD ranges from 5 to over 35 cases per 100,000 population,with the majority affecting individuals aged 50 years or older.The risk increases with age,particularly in males.Various factors,including genetics,lifestyle,specific environmental influences,and geometry,contribute to the disease. 展开更多
关键词 CLINICAL RIGIDITY initially
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Targeted genome duplications by amplification editing(AE)
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作者 Chao Sun Caixia Gao 《Science China(Life Sciences)》 CSCD 2024年第12期2786-2788,共3页
Ongoing advances in genomics and genetics have led researchers to highlight the significant role of large DNA structural variants(SVs)in genetic diversity.SVs are genomic sequence variants of various types,including i... Ongoing advances in genomics and genetics have led researchers to highlight the significant role of large DNA structural variants(SVs)in genetic diversity.SVs are genomic sequence variants of various types,including insertions,deletions,inversions,translocations,and copy number variants(CNVs or duplications).These SVs,which are usually of 1 kb or more,can have profound impacts at both the individual and species level.They are also often linked to the initiation and progression of complex genetic diseases(Stankiewicz and Lupski,2010). 展开更多
关键词 INSERTION EDITING PROFOUND
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