The rational design of high-performance CO_(2)adsorbents remains a critical challenge in addressing global carbon emissions,with metal-organic frameworks(MOFs)emerging as promising candidates due to their tunable pore...The rational design of high-performance CO_(2)adsorbents remains a critical challenge in addressing global carbon emissions,with metal-organic frameworks(MOFs)emerging as promising candidates due to their tunable pore environments.However,the lack of systematic guidelines for functional group selection has hindered their practical implementation in carbon capture applications.Here,this gap was addressed by developing a comprehensive design framework through high-throughput computational screening.Through construction of a topology-directed database of 4797,integrating 10 metal centers with 144 functionalized ligands(18 ligands modified by–NH_(2),–NO_(2),–CH_(3),–CF_(3),–SH_(2),–SO_(2),–OH,and–OLi)across 36 topologies,the fundamental structure–property relationships governing CO_(2)capture performance was established.Multi-metric evaluation reveals that–NO_(2),–SO_(2),and–OLi dramatically enhance CO_(2)selectivity over CH_4/N_(2)via selectivity(S_(ads)),working capacity(ΔN),adsorbent performance score(APS),sorbent selection parameter(S_(sp)),and renewability R.Specially,ΔN rises from 2.34(pristine)to 5.91–7.94 mmol g^(-1)and S_(ads)surges from 24.94/40.36 to 121.11/176.87(–NO_(2)),149.94/215.54(–SO_(2)),and 58.64/267.44(–OLi).Besides,the critical trade-off between adsorption strength and renewability demonstrates that enhanced performance comes at the cost of reduced renewability,where stronger CO_(2)affinity(isosteric heat of-29.15,-29.96,and-30.09 for–NO_(2),–SO_(2),and–OLi)compromises renewability(R reduced by -50%).To resolve this trade-off,a novel energy efficiency(η)metric was introduced,which holistically evaluates both adsorption performance(S_(ads),ΔN,APS,S_(sp),and R)and energy inputs(desorption heat,pressure-swing energy,net loss).This leads to the identification of–SO_(2)as the optimal functional group that balances exceptional CO_(2)capture(η=6.17/12.78 for CO_(2)over CH_4/N_(2)),surpassing the second higher of 4.74/8.80 in–CF_(3)and 0.99/2.18 in non-functionalized counterparts.Adopting high-throughput computational screening methods,this work provides both fundamental insights into host–vip interactions in functionalized MOFs and a practical framework for designing next-generation adsorbents,bridging the gap between materials discovery and process engineering considerations in carbon capture technologies.展开更多
Zebrafish larvae are useful for identifying chemicals against lateral line(LL)hair cell(HC)damage and this type of chemical screen mainly focuses on searching for protectors against cell death.To expand the candidate ...Zebrafish larvae are useful for identifying chemicals against lateral line(LL)hair cell(HC)damage and this type of chemical screen mainly focuses on searching for protectors against cell death.To expand the candidate pool of HC protectors,a self-built acoustic escape response(AER)-detecting system was developed to apply both low-frequency near-field sound transmission and AER image acquisition/processing modules.The device quickly confirmed the changed LL HC functions caused by most known ototoxins,protectors,and neural transmission modifiers,or knockdown of LL HC-expressing genes.With ten devices wired in tandem,five‘hit’chemicals were identified from 124 cyclin-dependent kinase inhibitors to partially restore cisplatin-damaged AER in less than a day.AS2863619,ribociclib,and SU9516 among the hits,protected the HCs in the mouse cochlea.Therefore,using free-swimming larval zebrafish,the self-made AER-detecting device can efficiently identify compounds that are protective against HC damage,including cell death and loss-of-function.展开更多
A metagenomic fosmid library of approximately 52 000 clones was constructed to identify functional genes encoding cold-adapted enzymes. Metagenomic DNA was extracted from a sample of glacial meltwater, collected on th...A metagenomic fosmid library of approximately 52 000 clones was constructed to identify functional genes encoding cold-adapted enzymes. Metagenomic DNA was extracted from a sample of glacial meltwater, collected on the Antarctic Peninsula during the ANTARKOS XXIX Expedition during the austral summer of 2012-2013. Each clone contained an insert of about 35-40 kb, so the library represented almost 2 Gb of genetic information from metagenomic DNA. Activity-driven screening was used to detect the cold-adapted functions expressed by the library. Fifty lipase/esterase and two cellulase-producing clones were isolated, and two clones able to grow on Avicel as the sole carbon source. Interestingly, three clones formed a brown precipitate in the presence of manganese （II）. Accumulation of manganese oxides was determined with a leucoberbelin blue assay, indicating that these three clones had manganese-oxidizing activity. To the best of our knowledge, this is the first report of a manganese oxidase activity detected with a functional metagenomic strategy.展开更多
BACKGROUND Post-stroke depression(PSD)is a common and debilitating condition affecting stroke survivors,significantly impacting their recovery and overall quality of life.AIM To assess the effects of early PSD screeni...BACKGROUND Post-stroke depression(PSD)is a common and debilitating condition affecting stroke survivors,significantly impacting their recovery and overall quality of life.AIM To assess the effects of early PSD screening on functional outcomes,quality of life,and mortality.METHODS From an initial pool of 1065 articles,6 studies met the inclusion criteria and were selected for analysis.Functional outcomes were measured using the functional independence measure(FIM).RESULTS The analysis revealed a significant improvement in FIM scores for a PSD scree-ning group compared to controls[standardized mean difference(SMD)=8.90,95%confidence interval(CI):4.65-13.15,P<0.01].Quality of life was assessed using the Stroke-Specific Quality of Life Scale,with the screening group showing significantly higher scores(SMD=20.83,95%CI:15.27-26.38,P<0.01).Mortality analysis indicated a reduction in five-year mortality rates for the PSD screening group.CONCLUSION Early PSD screening enhances functional recovery,improves quality of life,and reduces mortality rates in stroke survivors.Thus,integrating PSD screening into routine stroke care improves long-term outcomes for patients.展开更多
The reaction characteristics of calcium-based materials during calcium looping(CaL)process are pivotal in the efficiency of CaL thermochemical energy storage(TCES)and CO_(2)capture systems.Currently,metal oxide doping...The reaction characteristics of calcium-based materials during calcium looping(CaL)process are pivotal in the efficiency of CaL thermochemical energy storage(TCES)and CO_(2)capture systems.Currently,metal oxide doping is the primary method to enhance the reaction characteristics of calcium-based materials over multiple cycles.In particular,co-doping with variable-valence metal oxides(VVMOs)can effectively increase the oxygen vacancy content in calcium-based materials,significantly improving their cyclic reaction characteristics.However,there are so numerous VVMOs co-doping schemes that the experimental screening process is complex,consuming considerable time and economic costs.Density functional theory(DFT)calculations have been widely used to reveal the impact of metal oxide doping on the cyclic reaction characteristics of calcium-based materials,with calculation results showing good agreement with experimental conclusions.Nevertheless,there is still a lack of research on utilizing DFT to screen calcium-based materials,and a systematic research methodology has not yet been established.In this study,a systematic DFT-based screening methodology for calcium-based materials was proposed.A series of key parameters for DFT calculations including CO_(2)adsorption energy,oxygen vacancy formation energy,and sintering resistance were proposed.Furthermore,a preliminary mathematical model to predict the CaL TCES and CO_(2)capture performance of calcium-based materials was introduced.The aforementioned DFT method was employed to screen for VVMOs co-doped calcium-based materials.The results revealed that Mn and Ce co-doped calcium-based materials exhibited superior DFT-predicted reaction characteristics.These DFT predictions were validated through experimental assessments of cyclic thermochemical energy storage,CO_(2)capture,and relevant characterization.The outcomes demonstrate a high degree of consistency among DFT-based predictions,experimental results,and characterization.Hence,the DFT-based screening methodology for calcium-based materials proposed herein is a viable solution,poised to offer theoretical insights for the efficient design of calcium-based materials.展开更多
Objective: to explore and analyze the effect of simple pulmonary function instrument in community screening of chronic obstructive pulmonary disease, and analyze its clinical applicability. Methods: the period from Se...Objective: to explore and analyze the effect of simple pulmonary function instrument in community screening of chronic obstructive pulmonary disease, and analyze its clinical applicability. Methods: the period from September 2018 to June 2019 was selected as the research period. During this period, 100 ordinary people who underwent physical examination in our hospital were selected as the research objects. All the physical examination subjects were selected by the medical staff to make retrospective analysis and judge their physical examination results. In this study, the simple pulmonary function instrument technology was applied to diagnose the pulmonary function of the physical examination subjects, and the number of cases of COPD in 100 physical examination subjects was analyzed. Results: in this study, 6 patients with COPD were initially screened out from 100 physical examination patients of the general population, and the confirmed diagnosis rate by bronchodilation test was 6.00%. Conclusion: when screening the general population for chronic obstructive pulmonary disease, the simple pulmonary function instrument should be used for primary screening, and the patients with abnormal lung function should be referred to the respiratory department of the tertiary hospital for bronchodilator test. Only in this way can the diagnosis be made, in order to timely treat the patients, improve the level of modern clinical physical examination and further improve the quality of life of the general population.展开更多
BACKGROUND Malnutrition exacerbates the deterioration in patients with advanced gas-trointestinal tumors.AIM To analyze the effect of enteral nutritional support based on Nutrition Risk Screening 2002(NRS2002)risk ass...BACKGROUND Malnutrition exacerbates the deterioration in patients with advanced gas-trointestinal tumors.AIM To analyze the effect of enteral nutritional support based on Nutrition Risk Screening 2002(NRS2002)risk assessment on nutritional function in patients with gastrointestinal tumors.METHODS One hundred twelve patients from April 2022 to April 2024 were included for observation and were divided into a control group and an observation group by random number method,56 each.Both groups received treatment for four consecutive weeks.The control group received routine enteral nutrition support,while the observation group received enteral nutrition support based on the NRS2002 risk assessment.Nutritional function,intestinal mucosal barrier function,quality of life,and complication rate were compared between the two groups.Statistical analysis was completed using SPSS26.0 and Excel.RESULTS After nutritional intervention,transferrin,albumin,hemoglobin,and diamine oxidase levels in the observation group were higher than those in the control group,while C-reactive protein,tumor necrosis factorα,and quality of life scores were lower,with significant differences(P<0.05).There was no significant difference in complications between groups(P>0.05),but the complication rate was lower in the observation group.CONCLUSION Enteral nutritional support based on NRS2002 risk assessment for patients with gastrointestinal tumors positively impacts nutritional status and promotes intestinal mucosal barrier function recovery.Patients’quality of life improved,and the incidence of adverse reactions decreased,indicating clinical promotion and application value.展开更多
以高耐热性玉米品种郑单958、低耐热性玉米品种先玉335为试验材料,以正常生长条件为对照(CK),利用半自动伸缩高温棚进行花期高温胁迫(HT)处理,通过circRNA高通量测序筛选高温胁迫下不同玉米品种花粉中差异表达的环状RNA(circRNA),对其...以高耐热性玉米品种郑单958、低耐热性玉米品种先玉335为试验材料,以正常生长条件为对照(CK),利用半自动伸缩高温棚进行花期高温胁迫(HT)处理,通过circRNA高通量测序筛选高温胁迫下不同玉米品种花粉中差异表达的环状RNA(circRNA),对其来源基因进行GO和KEGG富集分析,并筛选具有miRNA结合位点的差异表达circRNA,预测其下游目的基因,分析玉米花粉中响应高温胁迫的潜在circRNA-miRNA-mRNA共表达调控网络,从多层面解析玉米花粉中调控高温胁迫的分子作用机制,为提高玉米品种的耐热性提供理论依据。结果表明,在郑单958、先玉335不同样本中共鉴定出1 843个不同的circRNA,它们在玉米染色体中的分布不同。每个circRNA所包含的外显子数目也不相同,其中,大多数(624个)circRNA只含有1个外显子。在郑单958花粉中共鉴定出1 563个circRNA,其中,CK958-1、CK958-2、CK958-3中分别鉴定出305、213、356个circRNA,HT958-1、HT958-2、HT958-3中分别鉴定出222、242、225个circRNA。在先玉335花粉中共鉴定出1 423个circRNA,其中,CK335-1、CK335-2、CK335-3中分别鉴定出272、188、229个circRNA,HT335-1、HT335-2、HT335-3中分别鉴定出259、237、238个circRNA。不同样本中占比最高的均为外显子circRNA。circRNA与其来源基因不是一一对应的关系,有748个circRNA来源基因通过反向剪接机制只形成1个circRNA,156个circRNA来源基因通过反向剪接机制各自形成2个circRNA。在郑单958高温胁迫花粉与对照花粉对比组(HT958 vs CK958)中共筛选到9个差异表达circRNA,其中2个circRNA呈上调表达,其来源基因显著富集到焦磷酸酶活性、核苷酸磷酸代谢过程、糖基磷脂酰肌醇(GPI)锚定代谢过程等17个GO条目,显著富集到GPI锚定生物合成、代谢途径等KEGG通路。在先玉335高温胁迫花粉与对照花粉对比组(HT335 vs CK335)中共筛选到1个差异表达circRNA,其来源基因没有显著富集到任何GO条目、KEGG通路。在郑单958高温胁迫花粉与先玉335高温胁迫花粉对比组(HT958 vs HT335)中共筛选到17个差异表达circRNA,其中6个circRNA呈上调表达,其来源基因显著富集到内质网系统、高尔基相关囊泡膜、膜蛋白水解等16个GO条目中,没有显著富集到任何KEGG代谢通路。5个circRNA具有miRNA结合位点,可以作为海绵岛吸附miRNA间接调控下游靶标基因的表达,构建了包括5个circRNA、5个不同家族miRNA、2个mRNA在内的circRNA-miRNA-mRNA共表达调控网络。筛选到了54个circRNA包含内部核糖体进入位点(IRES),可以翻译表达多肽或者蛋白质直接作用于靶标基因。展开更多
目的建立一个综合了生物信息学和化学信息学的网络信息平台M&Function,致力于新药筛选和研究。方法通过数据挖掘,整合小分子药物的名称、结构、功能、分类等信息,建立一个小分子药物信息资源库。在此基础上,借助基于最大公共子结构(...目的建立一个综合了生物信息学和化学信息学的网络信息平台M&Function,致力于新药筛选和研究。方法通过数据挖掘,整合小分子药物的名称、结构、功能、分类等信息,建立一个小分子药物信息资源库。在此基础上,借助基于最大公共子结构(maximum common substructure,MCS)和Fingerprint的结构比对软件,通过统计分析,建立了功能预测系统,对活性小分子进行生物学功能预测。结果 M&Function平台拥有丰富的数据信息、内嵌的图形显示和数据统计插件人性化的网站设计,具有直观、高效、简便易用、测试数据结果可靠等优点。结论 M&Function平台不仅是一个小分子药物信息资源库,也是一个小分子功能预测平台,可以为高通量先导化合物的筛选提供信息准备和数据支持。网站可以通过http://lifecenter.sgst.cn/mcs/home.do进行访问。展开更多
Emerging and powerful genome editing tools,particularly CRISPR/Cas9,are facilitating functional genomics research and accelerating crop improvement(Jiang et al.2021;Cao et al.2023;Chen C et al.2023;Liu et al.2023a).Ho...Emerging and powerful genome editing tools,particularly CRISPR/Cas9,are facilitating functional genomics research and accelerating crop improvement(Jiang et al.2021;Cao et al.2023;Chen C et al.2023;Liu et al.2023a).However,the detection and screening of transgenic lines remain major bottlenecks,being time-consuming,labor-intensive,and inefficient during transformation and subsequent mutation identification.A simple and efficient visual marker system plays a critical role in addressing these challenges.Recent studies demonstrated that the GmW1 and RUBY reporter systems were used to obtain visual transgenic soybean(Glycine max) plants(Chen L et al.2023;Chen et al.2024).展开更多
旨在开发整合基因组信息、表型信息和功能注释信息筛选遗传位点的不同方法,比较评估8种在复杂性状上的基因组选择(genomic selection,GS)方法的预测准确性。本研究将542只北京鸭和2548只杜洛克猪基因型-表型数据通过3个维度,基于基因组...旨在开发整合基因组信息、表型信息和功能注释信息筛选遗传位点的不同方法,比较评估8种在复杂性状上的基因组选择(genomic selection,GS)方法的预测准确性。本研究将542只北京鸭和2548只杜洛克猪基因型-表型数据通过3个维度,基于基因组信息(连锁不平衡结合主成分分析(linkage disequilibrium and principal component analysis,LD_PCA),结合其他主成分位点(LD and other principal component analysis,LD_outPCA),结合皮尔逊相关系数分析(LD and Pearson correlation coefficient,LD_PCC))、表型信息(连锁不平衡结合全基因组关联分析(LD and genome-wide association study,LD_GWAS),结合互作分析(LD and EPISNP,LD_EPI))和功能注释信息(权重分配法(weight distribution method,WDM)),共8种不同筛选方法处理构建基因型矩阵,比较不同方法的基因组育种值估计准确性。结果表明,比较发现LD_PCC结合6种GS方法(GBLUP、BayesA、BayesB、BayesC、Bayes LASSO和RRGBLUP),在鸭龙骨长、猪百千克日龄、猪背膘厚和乳头数表型获得最高平均预测准确性(对比初始基因型矩阵提高约4%~13.9%)分别达到了0.7093、0.4400、0.4974和0.4401;权重分配法(WDM)在猪背膘厚和乳头数表型对比未加权获得最高预测准确性(高约10%)。综上,本研究发现WDM和LD_PCC可以有效提升GS的预测准确性,为深入研究位点筛选方法影响GS准确性和在育种实践中的应用提供了方向和借鉴。展开更多
基金supported by The National Natural Science Foundation of China(22471289 and 22478430)Shandong Natural Science Foundation(ZR2022ME105 and ZR2023ME004)+4 种基金Qingdao Natural Science Foundation(23-2-1-232-zyyd-jch)Geological body description and key technologies of reservoir engineering of CCUS oil displacement(2021ZZ01-03)Science and Technology Major Project on New Oil and Gas Exploration and Development:Research on Comprehensive Control Technology for CO_(2)-Enhanced Miscible and Immiscible Displacement(2024ZD1406601)State Key Laboratory of Enhanced Oil Recovery of Open Fund Funded Project(2024-KFKT-19)the Fundamental Research Funds for the Central Universities(24CX06042A and 24CX06070A)。
文摘The rational design of high-performance CO_(2)adsorbents remains a critical challenge in addressing global carbon emissions,with metal-organic frameworks(MOFs)emerging as promising candidates due to their tunable pore environments.However,the lack of systematic guidelines for functional group selection has hindered their practical implementation in carbon capture applications.Here,this gap was addressed by developing a comprehensive design framework through high-throughput computational screening.Through construction of a topology-directed database of 4797,integrating 10 metal centers with 144 functionalized ligands(18 ligands modified by–NH_(2),–NO_(2),–CH_(3),–CF_(3),–SH_(2),–SO_(2),–OH,and–OLi)across 36 topologies,the fundamental structure–property relationships governing CO_(2)capture performance was established.Multi-metric evaluation reveals that–NO_(2),–SO_(2),and–OLi dramatically enhance CO_(2)selectivity over CH_4/N_(2)via selectivity(S_(ads)),working capacity(ΔN),adsorbent performance score(APS),sorbent selection parameter(S_(sp)),and renewability R.Specially,ΔN rises from 2.34(pristine)to 5.91–7.94 mmol g^(-1)and S_(ads)surges from 24.94/40.36 to 121.11/176.87(–NO_(2)),149.94/215.54(–SO_(2)),and 58.64/267.44(–OLi).Besides,the critical trade-off between adsorption strength and renewability demonstrates that enhanced performance comes at the cost of reduced renewability,where stronger CO_(2)affinity(isosteric heat of-29.15,-29.96,and-30.09 for–NO_(2),–SO_(2),and–OLi)compromises renewability(R reduced by -50%).To resolve this trade-off,a novel energy efficiency(η)metric was introduced,which holistically evaluates both adsorption performance(S_(ads),ΔN,APS,S_(sp),and R)and energy inputs(desorption heat,pressure-swing energy,net loss).This leads to the identification of–SO_(2)as the optimal functional group that balances exceptional CO_(2)capture(η=6.17/12.78 for CO_(2)over CH_4/N_(2)),surpassing the second higher of 4.74/8.80 in–CF_(3)and 0.99/2.18 in non-functionalized counterparts.Adopting high-throughput computational screening methods,this work provides both fundamental insights into host–vip interactions in functionalized MOFs and a practical framework for designing next-generation adsorbents,bridging the gap between materials discovery and process engineering considerations in carbon capture technologies.
基金supported by grants from Shenzhen-Hong Kong Institute of Brain Science-Shenzhen Fundamental Research Institutions(2023SHIBS0002)the National Key Research and Development Program of China(2023YFF1203505)+5 种基金the National Key R&D Program of China(2024YFC2417900)Shenzhen Municipal Science and Technology Innovation Council(202110293000007)Shenzhen Science and Technology Program(KJZD20230923114909019)the National Key R&D Program of China(2018YFA0801006)the National Natural Science Foundation of China(31771618)Guangdong Natural Science Foundation(2022A1515011878).
文摘Zebrafish larvae are useful for identifying chemicals against lateral line(LL)hair cell(HC)damage and this type of chemical screen mainly focuses on searching for protectors against cell death.To expand the candidate pool of HC protectors,a self-built acoustic escape response(AER)-detecting system was developed to apply both low-frequency near-field sound transmission and AER image acquisition/processing modules.The device quickly confirmed the changed LL HC functions caused by most known ototoxins,protectors,and neural transmission modifiers,or knockdown of LL HC-expressing genes.With ten devices wired in tandem,five‘hit’chemicals were identified from 124 cyclin-dependent kinase inhibitors to partially restore cisplatin-damaged AER in less than a day.AS2863619,ribociclib,and SU9516 among the hits,protected the HCs in the mouse cochlea.Therefore,using free-swimming larval zebrafish,the self-made AER-detecting device can efficiently identify compounds that are protective against HC damage,including cell death and loss-of-function.
基金the Antarctic Institute of Uruguay Research Projects 2012-2014, Programa para el Desarrollo de las Ciencias Básicas (PEDECIBA)the National Agency for Innovation and Investigation (ANII) INI_X_2012_1_4201 for their partial financial support
文摘A metagenomic fosmid library of approximately 52 000 clones was constructed to identify functional genes encoding cold-adapted enzymes. Metagenomic DNA was extracted from a sample of glacial meltwater, collected on the Antarctic Peninsula during the ANTARKOS XXIX Expedition during the austral summer of 2012-2013. Each clone contained an insert of about 35-40 kb, so the library represented almost 2 Gb of genetic information from metagenomic DNA. Activity-driven screening was used to detect the cold-adapted functions expressed by the library. Fifty lipase/esterase and two cellulase-producing clones were isolated, and two clones able to grow on Avicel as the sole carbon source. Interestingly, three clones formed a brown precipitate in the presence of manganese （II）. Accumulation of manganese oxides was determined with a leucoberbelin blue assay, indicating that these three clones had manganese-oxidizing activity. To the best of our knowledge, this is the first report of a manganese oxidase activity detected with a functional metagenomic strategy.
文摘BACKGROUND Post-stroke depression(PSD)is a common and debilitating condition affecting stroke survivors,significantly impacting their recovery and overall quality of life.AIM To assess the effects of early PSD screening on functional outcomes,quality of life,and mortality.METHODS From an initial pool of 1065 articles,6 studies met the inclusion criteria and were selected for analysis.Functional outcomes were measured using the functional independence measure(FIM).RESULTS The analysis revealed a significant improvement in FIM scores for a PSD scree-ning group compared to controls[standardized mean difference(SMD)=8.90,95%confidence interval(CI):4.65-13.15,P<0.01].Quality of life was assessed using the Stroke-Specific Quality of Life Scale,with the screening group showing significantly higher scores(SMD=20.83,95%CI:15.27-26.38,P<0.01).Mortality analysis indicated a reduction in five-year mortality rates for the PSD screening group.CONCLUSION Early PSD screening enhances functional recovery,improves quality of life,and reduces mortality rates in stroke survivors.Thus,integrating PSD screening into routine stroke care improves long-term outcomes for patients.
基金supported by the National Natural Science Foundation of China(52276204 and U22A20435)。
文摘The reaction characteristics of calcium-based materials during calcium looping(CaL)process are pivotal in the efficiency of CaL thermochemical energy storage(TCES)and CO_(2)capture systems.Currently,metal oxide doping is the primary method to enhance the reaction characteristics of calcium-based materials over multiple cycles.In particular,co-doping with variable-valence metal oxides(VVMOs)can effectively increase the oxygen vacancy content in calcium-based materials,significantly improving their cyclic reaction characteristics.However,there are so numerous VVMOs co-doping schemes that the experimental screening process is complex,consuming considerable time and economic costs.Density functional theory(DFT)calculations have been widely used to reveal the impact of metal oxide doping on the cyclic reaction characteristics of calcium-based materials,with calculation results showing good agreement with experimental conclusions.Nevertheless,there is still a lack of research on utilizing DFT to screen calcium-based materials,and a systematic research methodology has not yet been established.In this study,a systematic DFT-based screening methodology for calcium-based materials was proposed.A series of key parameters for DFT calculations including CO_(2)adsorption energy,oxygen vacancy formation energy,and sintering resistance were proposed.Furthermore,a preliminary mathematical model to predict the CaL TCES and CO_(2)capture performance of calcium-based materials was introduced.The aforementioned DFT method was employed to screen for VVMOs co-doped calcium-based materials.The results revealed that Mn and Ce co-doped calcium-based materials exhibited superior DFT-predicted reaction characteristics.These DFT predictions were validated through experimental assessments of cyclic thermochemical energy storage,CO_(2)capture,and relevant characterization.The outcomes demonstrate a high degree of consistency among DFT-based predictions,experimental results,and characterization.Hence,the DFT-based screening methodology for calcium-based materials proposed herein is a viable solution,poised to offer theoretical insights for the efficient design of calcium-based materials.
文摘Objective: to explore and analyze the effect of simple pulmonary function instrument in community screening of chronic obstructive pulmonary disease, and analyze its clinical applicability. Methods: the period from September 2018 to June 2019 was selected as the research period. During this period, 100 ordinary people who underwent physical examination in our hospital were selected as the research objects. All the physical examination subjects were selected by the medical staff to make retrospective analysis and judge their physical examination results. In this study, the simple pulmonary function instrument technology was applied to diagnose the pulmonary function of the physical examination subjects, and the number of cases of COPD in 100 physical examination subjects was analyzed. Results: in this study, 6 patients with COPD were initially screened out from 100 physical examination patients of the general population, and the confirmed diagnosis rate by bronchodilation test was 6.00%. Conclusion: when screening the general population for chronic obstructive pulmonary disease, the simple pulmonary function instrument should be used for primary screening, and the patients with abnormal lung function should be referred to the respiratory department of the tertiary hospital for bronchodilator test. Only in this way can the diagnosis be made, in order to timely treat the patients, improve the level of modern clinical physical examination and further improve the quality of life of the general population.
文摘BACKGROUND Malnutrition exacerbates the deterioration in patients with advanced gas-trointestinal tumors.AIM To analyze the effect of enteral nutritional support based on Nutrition Risk Screening 2002(NRS2002)risk assessment on nutritional function in patients with gastrointestinal tumors.METHODS One hundred twelve patients from April 2022 to April 2024 were included for observation and were divided into a control group and an observation group by random number method,56 each.Both groups received treatment for four consecutive weeks.The control group received routine enteral nutrition support,while the observation group received enteral nutrition support based on the NRS2002 risk assessment.Nutritional function,intestinal mucosal barrier function,quality of life,and complication rate were compared between the two groups.Statistical analysis was completed using SPSS26.0 and Excel.RESULTS After nutritional intervention,transferrin,albumin,hemoglobin,and diamine oxidase levels in the observation group were higher than those in the control group,while C-reactive protein,tumor necrosis factorα,and quality of life scores were lower,with significant differences(P<0.05).There was no significant difference in complications between groups(P>0.05),but the complication rate was lower in the observation group.CONCLUSION Enteral nutritional support based on NRS2002 risk assessment for patients with gastrointestinal tumors positively impacts nutritional status and promotes intestinal mucosal barrier function recovery.Patients’quality of life improved,and the incidence of adverse reactions decreased,indicating clinical promotion and application value.
文摘以高耐热性玉米品种郑单958、低耐热性玉米品种先玉335为试验材料,以正常生长条件为对照(CK),利用半自动伸缩高温棚进行花期高温胁迫(HT)处理,通过circRNA高通量测序筛选高温胁迫下不同玉米品种花粉中差异表达的环状RNA(circRNA),对其来源基因进行GO和KEGG富集分析,并筛选具有miRNA结合位点的差异表达circRNA,预测其下游目的基因,分析玉米花粉中响应高温胁迫的潜在circRNA-miRNA-mRNA共表达调控网络,从多层面解析玉米花粉中调控高温胁迫的分子作用机制,为提高玉米品种的耐热性提供理论依据。结果表明,在郑单958、先玉335不同样本中共鉴定出1 843个不同的circRNA,它们在玉米染色体中的分布不同。每个circRNA所包含的外显子数目也不相同,其中,大多数(624个)circRNA只含有1个外显子。在郑单958花粉中共鉴定出1 563个circRNA,其中,CK958-1、CK958-2、CK958-3中分别鉴定出305、213、356个circRNA,HT958-1、HT958-2、HT958-3中分别鉴定出222、242、225个circRNA。在先玉335花粉中共鉴定出1 423个circRNA,其中,CK335-1、CK335-2、CK335-3中分别鉴定出272、188、229个circRNA,HT335-1、HT335-2、HT335-3中分别鉴定出259、237、238个circRNA。不同样本中占比最高的均为外显子circRNA。circRNA与其来源基因不是一一对应的关系,有748个circRNA来源基因通过反向剪接机制只形成1个circRNA,156个circRNA来源基因通过反向剪接机制各自形成2个circRNA。在郑单958高温胁迫花粉与对照花粉对比组(HT958 vs CK958)中共筛选到9个差异表达circRNA,其中2个circRNA呈上调表达,其来源基因显著富集到焦磷酸酶活性、核苷酸磷酸代谢过程、糖基磷脂酰肌醇(GPI)锚定代谢过程等17个GO条目,显著富集到GPI锚定生物合成、代谢途径等KEGG通路。在先玉335高温胁迫花粉与对照花粉对比组(HT335 vs CK335)中共筛选到1个差异表达circRNA,其来源基因没有显著富集到任何GO条目、KEGG通路。在郑单958高温胁迫花粉与先玉335高温胁迫花粉对比组(HT958 vs HT335)中共筛选到17个差异表达circRNA,其中6个circRNA呈上调表达,其来源基因显著富集到内质网系统、高尔基相关囊泡膜、膜蛋白水解等16个GO条目中,没有显著富集到任何KEGG代谢通路。5个circRNA具有miRNA结合位点,可以作为海绵岛吸附miRNA间接调控下游靶标基因的表达,构建了包括5个circRNA、5个不同家族miRNA、2个mRNA在内的circRNA-miRNA-mRNA共表达调控网络。筛选到了54个circRNA包含内部核糖体进入位点(IRES),可以翻译表达多肽或者蛋白质直接作用于靶标基因。
文摘目的建立一个综合了生物信息学和化学信息学的网络信息平台M&Function,致力于新药筛选和研究。方法通过数据挖掘,整合小分子药物的名称、结构、功能、分类等信息,建立一个小分子药物信息资源库。在此基础上,借助基于最大公共子结构(maximum common substructure,MCS)和Fingerprint的结构比对软件,通过统计分析,建立了功能预测系统,对活性小分子进行生物学功能预测。结果 M&Function平台拥有丰富的数据信息、内嵌的图形显示和数据统计插件人性化的网站设计,具有直观、高效、简便易用、测试数据结果可靠等优点。结论 M&Function平台不仅是一个小分子药物信息资源库,也是一个小分子功能预测平台,可以为高通量先导化合物的筛选提供信息准备和数据支持。网站可以通过http://lifecenter.sgst.cn/mcs/home.do进行访问。
基金supported by the Jilin Science and Technology Development Program,China (20240602032RC)the Jilin Agricultural Science and Technology Innovation Project,China (CXGC2024ZD001)+1 种基金the Jilin Agricultural Science and Technology Innovation Project,China (CXGC2024ZY012)the Jilin Province Development and Reform Commission-Project for Improving the Independent Innovation Capacity of Major Grain Crops,China (2024C002)。
文摘Emerging and powerful genome editing tools,particularly CRISPR/Cas9,are facilitating functional genomics research and accelerating crop improvement(Jiang et al.2021;Cao et al.2023;Chen C et al.2023;Liu et al.2023a).However,the detection and screening of transgenic lines remain major bottlenecks,being time-consuming,labor-intensive,and inefficient during transformation and subsequent mutation identification.A simple and efficient visual marker system plays a critical role in addressing these challenges.Recent studies demonstrated that the GmW1 and RUBY reporter systems were used to obtain visual transgenic soybean(Glycine max) plants(Chen L et al.2023;Chen et al.2024).
文摘旨在开发整合基因组信息、表型信息和功能注释信息筛选遗传位点的不同方法,比较评估8种在复杂性状上的基因组选择(genomic selection,GS)方法的预测准确性。本研究将542只北京鸭和2548只杜洛克猪基因型-表型数据通过3个维度,基于基因组信息(连锁不平衡结合主成分分析(linkage disequilibrium and principal component analysis,LD_PCA),结合其他主成分位点(LD and other principal component analysis,LD_outPCA),结合皮尔逊相关系数分析(LD and Pearson correlation coefficient,LD_PCC))、表型信息(连锁不平衡结合全基因组关联分析(LD and genome-wide association study,LD_GWAS),结合互作分析(LD and EPISNP,LD_EPI))和功能注释信息(权重分配法(weight distribution method,WDM)),共8种不同筛选方法处理构建基因型矩阵,比较不同方法的基因组育种值估计准确性。结果表明,比较发现LD_PCC结合6种GS方法(GBLUP、BayesA、BayesB、BayesC、Bayes LASSO和RRGBLUP),在鸭龙骨长、猪百千克日龄、猪背膘厚和乳头数表型获得最高平均预测准确性(对比初始基因型矩阵提高约4%~13.9%)分别达到了0.7093、0.4400、0.4974和0.4401;权重分配法(WDM)在猪背膘厚和乳头数表型对比未加权获得最高预测准确性(高约10%)。综上,本研究发现WDM和LD_PCC可以有效提升GS的预测准确性,为深入研究位点筛选方法影响GS准确性和在育种实践中的应用提供了方向和借鉴。
