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Enriching Iodine and Regulating Grain Aroma,Appearance Quality,and Yield in Aromatic Rice by Foliar Application of Sodium Iodide
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作者 HONG Weiyuan DUAN Meiyang +5 位作者 WANG Yifei CHEN Yongjian MO Zhaowen QI Jianying PAN Shenggang TANG Xiangru 《Rice science》 SCIE CSCD 2024年第3期328-342,I0046-I0054,共24页
Applying iodine fertilizers to cultivate iodine-rich crops for daily intake is an effective approach for iodine supplementation,especially for aromatic rice.Field experiments were conducted during the early growing se... Applying iodine fertilizers to cultivate iodine-rich crops for daily intake is an effective approach for iodine supplementation,especially for aromatic rice.Field experiments were conducted during the early growing seasons of 2021 and 2022 to evaluate the impacts of foliar application of iodine fertilizer on aromatic rice and to explore the optimal iodine fertilizer concentration.At the full heading stage,six different concentrations of sodium iodide solutions of 0%(CK),0.010%(T1),0.025%(T2),0.050%(T3),0.075%(T4),and 0.100%(T5)were applied to indica aromatic rice cultivars Meixiangzhan 2 and Xiangyaxiangzhan.The results showed that sodium iodide treatments significantly increased the iodine and sodium contents in both leaves and grains.Compared with the CK,the T1 and T2 treatments increased the 2-acetyl-1-pyrroline(2-AP)content in mature grains by 8.41%-101.66%and 13.58%-74.60%,respectively.Improvements in the contents of 1-pyrroline-5-carboxylic acid,proline,1-pyrroline,and methylglyoxal,as well as the activity of proline dehydrogenase were also detected.Additionally,sodium iodide treatments remarkably decreased the chalky grain rate,chalkiness area,and chalkiness degree of aromatic rice,with the T2 treatment exhibiting a 17.79%-47.42%decrease in chalkiness degree compared with the CK.Meanwhile,T1 and T2 treatments showed beneficial impacts on chlorophyll content,photosynthetic characteristics,and yield components,while T3,T4,and T5 treatments exhibited adverse effects on leaf and grain yields.The linear discriminant analysis revealed significant differences between treatments.The correlation analysis and piecewise structural equation modeling showed that the iodine and sodium influenced the photosynthetic characteristics and chlorophyll content of the leaves,thereby regulating the 2-AP biosynthesis and yield components,ultimately affecting the 2-AP content and yield.Overall,this study suggests that foliar application of 0.025%sodium iodide is an effective method to enrich the iodine content in rice grains,improve the grain aroma and appearance quality of aromatic rice,without detrimental effects on grain yield. 展开更多
关键词 2-acetyl-1-pyrroline appearance quality aromatic rice foliar application grain yield iodine
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Biomimetic MXene membranes with negatively thermo-responsive switchable 2D nanochannels for graded molecular sieving
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作者 Yi Wang Yangyang Wang +5 位作者 Chang Liu Dongjian Shi Weifu Dong Baoliang Peng Liangliang Dong Mingqing Chen 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第6期1058-1067,共10页
Negatively thermo-responsive 2D membranes,which mimic the stomatal opening/closing of plants,have drawn substantial interest for tunable molecular separation processes.However,these membranes are still restricted sign... Negatively thermo-responsive 2D membranes,which mimic the stomatal opening/closing of plants,have drawn substantial interest for tunable molecular separation processes.However,these membranes are still restricted significantly on account of low water permeability and poor dynamic tunability of 2D nanochannels under temperature stimulation.Here,we present a biomimetic negatively thermo-responsive MXene membrane by covalently grafting poly(N-isopropylacrylamide)(PNIPAm)onto MXene nanosheets.The uniformly grafted PNIPAm polymer chains can enlarge the interlayer spacings for increasing water permeability while also allowing more tunability of 2D nanochannels for enhancing the capability of gradually separating multiple molecules of different sizes.As expected,the constructed membrane exhibits ultrahigh water permeance of 95.6 L m^(-2) h^(-1) bar^(-1) at 25℃,which is eight-fold higher than the state-of-the-art negatively thermoresponsive 2D membranes.Moreover,the highly temperature-tunable 2D nanochannels enable the constructed membrane to perform excellent graded molecular sieving for dye-and antibiotic-based ternary mixtures.This strategy provides new perspectives in engineering smart 2D membrane and expands the scope of temperature-responsive membranes,showing promising applications in micro/nanofluidics and molecular separation. 展开更多
关键词 Thermo-responsive 2D membrane MXene nanosheets PNIPAM Temperature-tunable 2D nanochannels Graded molecular sieving
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Dysregulated microRNAs in type 2 diabetes and breast cancer:Potential associated molecular mechanisms
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作者 Alex Cleber Improta-Caria Filipe Ferrari +4 位作者 João Lucas Penteado Gomes Paloma Brasilio Villalta Úrsula Paula RenóSoci Ricardo Stein Edilamar M Oliveira 《World Journal of Diabetes》 SCIE 2024年第6期1187-1198,共12页
Type 2 diabetes(T2D)is a multifaceted and heterogeneous syndrome associated with complications such as hypertension,coronary artery disease,and notably,breast cancer(BC).The connection between T2D and BC is establishe... Type 2 diabetes(T2D)is a multifaceted and heterogeneous syndrome associated with complications such as hypertension,coronary artery disease,and notably,breast cancer(BC).The connection between T2D and BC is established through processes that involve insulin resistance,inflammation and other factors.Despite this comprehension the specific cellular and molecular mechanisms linking T2D to BC,especially through microRNAs(miRNAs),remain elusive.miRNAs are regulators of gene expression at the post-transcriptional level and have the function of regulating target genes by modulating various signaling pathways and biological processes.However,the signaling pathways and biological processes regulated by miRNAs that are associated with T2D and BC have not yet been elucidated.This review aims to identify dysregulated miRNAs in both T2D and BC,exploring potential signaling pathways and biological processes that collectively contribute to the development of BC. 展开更多
关键词 Type 2 diabetes Breast cancer MICRORNAS molecular mechanisms
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Molecular engineering binuclear copper catalysts for selective CO_(2) reduction to C_(2) products
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作者 Qi Zhao Kai Lei +2 位作者 Bao Yu Xia Rachel Crespo-Otero Devis Di Tommaso 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期166-173,I0005,共9页
Molecular copper catalysts serve as exemplary models for correlating the structure-reaction-mechanism relationship in the electrochemical CO_(2) reduction(eCO_(2)R),owing to their adaptable environments surrounding th... Molecular copper catalysts serve as exemplary models for correlating the structure-reaction-mechanism relationship in the electrochemical CO_(2) reduction(eCO_(2)R),owing to their adaptable environments surrounding the copper metal centres.This investigation,employing density functional theory calculations,focuses on a novel family of binuclear Cu molecular catalysts.The modulation of their coordination configuration through the introduction of organic groups aims to assess their efficacy in converting CO_(2) to C_(2)products.Our findings highlight the crucial role of chemical valence state in shaping the characteristics of binuclear Cu catalysts,consequently influencing the eCO_(2)R behaviour,Notably,the Cu(Ⅱ)Cu(Ⅱ)macrocycle catalyst exhibits enhanced suppression of the hydrogen evolution reaction(HER),facilitating proton trans fer and the eCO_(2)R process.Fu rthermore,we explo re the impact of diverse electro n-withdrawing and electron-donating groups coordinated to the macrocycle(R=-F,-H,and-OCH_3)on the electron distribution in the molecular catalysts.Strategic placement of-OCH_3 groups in the macrocycles leads to a favourable oxidation state of the Cu centres and subsequent C-C coupling to form C_(2) products.This research provides fundamental insights into the design and optimization of binuclear Cu molecular catalysts for the electrochemical conversion of CO_(2) to value-added C_(2) products. 展开更多
关键词 molecular catalyst design Selective CO_(2)reduction C_(2)products Density functional theory calculations
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Calcification-associated molecular traits and therapeutic strategies in hormone receptor-positive HER2-negative breast cancer
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作者 Yuwei Li Yuzheng Xu +3 位作者 Caijin Lin Xi Jin Ding Ma Zhiming Shao 《Cancer Biology & Medicine》 SCIE CAS CSCD 2024年第5期400-415,共16页
Objective:Mammographic calcifications are a common feature of breast cancer,but their molecular characteristics and treatment implications in hormone receptor-positive(HR+)/human epidermal growth factor receptor 2-neg... Objective:Mammographic calcifications are a common feature of breast cancer,but their molecular characteristics and treatment implications in hormone receptor-positive(HR+)/human epidermal growth factor receptor 2-negative(HER2−)breast cancer remain unclear.Methods:We retrospectively collected mammography records of an HR+/HER2−breast cancer cohort(n=316)with matched clinicopathological,genomic,transcriptomic,and metabolomic data.On the basis of mammographic images,we grouped tumors by calcification status into calcification-negative tumors,tumors with probably benign calcifications,tumors with calcification of lowmoderate suspicion for maligancy and tumors with calcification of high suspicion for maligancy.We then explored the molecular characteristics associated with each calcification status across multiple dimensions.Results:Among the different statuses,tumors with probably benign calcifications exhibited elevated hormone receptor immunohistochemical staining scores,estrogen receptor(ER)pathway activation,lipid metabolism,and sensitivity to endocrine therapy.Tumors with calcifications of high suspicion for malignancy had relatively larger tumor sizes,elevated lymph node metastasis incidence,Ki-67 staining scores,genomic instability,cell cycle pathway activation,and may benefit from cyclin-dependent kinase 4 and 6(CDK4/6)inhibitors.Conclusions:Our research established links between tumor calcifications and molecular features,thus proposing potential precision treatment strategies for HR+/HER2−breast cancer. 展开更多
关键词 HR+/HER2−breast cancer mammographic calcifications molecular features precision treatment
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Development of High Areal Capacity Electrolytic MnO_(2)-Zn Battery via an Iodine Mediator 被引量:1
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作者 Xinhua Zheng Ruihao Luo +9 位作者 Touqeer Ahmad Jifei Sun Shuang Liu Na Chen Mingming Wang Yuan Yuan Mingyan Chuai Yan Xu Taoli Jiang Wei Chen 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2023年第6期243-250,共8页
The commercialization of electrolytic MnO_(2)-Zn batteries is highly applauded owing to the advantages of cost-effectiveness,high safety,high energy density,and durable working performance.However,due to the low rever... The commercialization of electrolytic MnO_(2)-Zn batteries is highly applauded owing to the advantages of cost-effectiveness,high safety,high energy density,and durable working performance.However,due to the low reversibility of the cathode MnO_(2)/Mn^(2+)chemistry at high areal capacities and the severe Zn anode corrosion,the practical application of MnO_(2)-Zn batteries is hampered by inadequate lifespan.Leveraging the full advantage of an iodine redox mediator,here we design a highly rechargeable electrolytic MnO_(2)-Zn battery with a high areal capacity.The MnO_(2)-Zn battery coupled with an iodine mediator in a mild electrolyte shows a high discharge voltage of 1.85 V and a robust areal capacity of 10 mAh cm^(-2)under a substantial discharge current density of 160 mA cm^(-2).The MnO_(2)/I_(2)-Zn battery with an areal capacity of 10 mAh cm^(-2)exhibits prolonged stability of over 950 cycles under a high-capacity retention of~94%.The scaled-up MnO_(2)/I_(2)-Zn battery reveals a stable cycle life under a cell capacity of~600 mAh.Moreover,our constructed MnO_(2)/I_(2)-Zn battery demonstrates a practical energy density of~37 Wh kg^(-1)and a competitive energy cost of<18 US$kWh^(-1)by taking into account the cathode,anode,and electrolyte.The MnO_(2)/I_(2)-Zn battery,with its remarkable reversibility and reasonable energy density,enlightens a new arena of large-scale energy storage devices. 展开更多
关键词 high areal capacity iodine redox mediator large-scale energy storage MnO2-Zn battery
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Molecular Docking Studies of Botanical Beverage Mix Berries (LIFEGREENTM) against Breast Cancer Cells from Targeted Protein 1QQG, 7B5Q & 7B5O & Uterine Fibroid from Targeted Protein 2AYR, 6T41 & 3GRF
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作者 Ummi Shahieda Lazaroo Bt Zurrein Shah Lazaroo Navanithan Sivanananthan Chua Kia How 《Computational Molecular Bioscience》 2024年第2期59-123,共65页
Fibroids, also called leiomyomas or myomas, are communal tumors of the muscle or uterine wall that affect about 20% of females who are of reproductive age. They can look as if singly or in clusters, and they often cea... Fibroids, also called leiomyomas or myomas, are communal tumors of the muscle or uterine wall that affect about 20% of females who are of reproductive age. They can look as if singly or in clusters, and they often cease to grow after menopause. Fibroids can be classified as intramural, sub serosal, pedunculated, or submucosal based on where they are positioned in the uterus. Although fibroids are benign, they can grow quickly and cause a range of symptoms, such as pelvic pressure, heavy menstrual flow, and infertility. As a result, fibroids are a main reason behind hysterectomy surgeries. The majority of cases of breast cancer are ductal and lobular cancers, making it the second utmost common cancer in women international. Gene mutations like those in BRCA1 or BRCA2 knowingly raise the risk of breast and other cancers, typically with an earlier cancer onset. Cancer risk is influenced by a complex interplay of genetic abnormalities, environmental factors, and lifestyle selections. Further research into these relations is domineering. Although they are common in uterine leiomyomas, especially multiple leiomyomas, MED12 mutations do not significantly correlate with tumor size. These mutations have also been noticed in smooth muscle tumors and leiomyosarcomas, two other types of uterine cancer. The identification of MED12 mutations as the sole genetic abnormality originates in leiomyomas raises the opportunity of a role in the genesis of cancer. 10% - 15% of women who are of reproductive age have endometriosis, which grants serious difficulties because of its chronic nature and range of clinical symptoms. Even after effective surgeries, issues reoccur often, adding to the enormous financial burden. The effects of MED12 mutations have been experiential in recent studies examining the molecular causes of endometriosis-associated infertility, which have shown anomalies in cellular connections and signaling cascades. Computational techniques were used in this study to investigate LifeGreenTM’s potential to prevent uterine fibroids and breast cancer. The efficacy of LifeGreenTM as a preventive measure or a treatment for common gynecological matters was examined and modeled. We investigated the mechanisms underlying LifeGreenTM’s benefits in the treatment of uterine fibroids and breast cancer using computational techniques. Our research contributes to our understanding of its potential therapeutic benefits for women’s health. 展开更多
关键词 Uterine Fibroid Breast Cancer molecular Docking IRS Protein BRCA1 BRCA2 MED12-a ENDOMETRIOSIS
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CO_(2)液滴在粗糙固体壁面上的润湿特性
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作者 宋粉红 姜瑜辉 +2 位作者 王志远 王忠旭 范晶 《中国石油大学学报(自然科学版)》 EI CAS CSCD 北大核心 2024年第2期161-169,共9页
CO_(2)在粗糙固体壁面上的润湿行为对CO_(2)冷凝捕集技术具有重要意义。采用分子动力学方法探究微结构、势能及温度对CO_(2)液滴润湿的影响。结果表明:相较于平板壁面,微结构壁面提高了CO_(2)液滴的接触角;在微结构壁面上势能参数影响CO... CO_(2)在粗糙固体壁面上的润湿行为对CO_(2)冷凝捕集技术具有重要意义。采用分子动力学方法探究微结构、势能及温度对CO_(2)液滴润湿的影响。结果表明:相较于平板壁面,微结构壁面提高了CO_(2)液滴的接触角;在微结构壁面上势能参数影响CO_(2)液滴的润湿状态,在栏栅结构壁面上CO_(2)液滴从Cassie-Baxter状态转向Wenzel状态,而在三角和斜坡结构壁面上CO_(2)液滴均保持Wenzel状态,3种壁面上CO_(2)液滴的接触角均随势能参数的增大而减小;此外随着体系温度升高,CO_(2)分子克服界面能垒由液相转向气相,使得液滴尺寸变小,液滴的接触角稍有减小。 展开更多
关键词 粗糙壁面 润湿性 CO_(2)液滴 接触角 分子动力学
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原油-CO_(2)相互作用机理分子动力学模拟研究
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作者 李建山 高浩 +2 位作者 鄢长灏 王石头 王亮亮 《油气藏评价与开发》 CSCD 北大核心 2024年第1期26-34,共9页
CO_(2)的众多驱油机理已经被广泛认同,但受油藏因素影响,不同油藏条件下CO_(2)驱的效果差异较大。因此,需要进一步深化研究CO_(2)与原油的微观相互作用机理,明确不同油藏条件下CO_(2)的驱油方式,最大限度挖潜CO_(2)驱的潜力。利用分子... CO_(2)的众多驱油机理已经被广泛认同,但受油藏因素影响,不同油藏条件下CO_(2)驱的效果差异较大。因此,需要进一步深化研究CO_(2)与原油的微观相互作用机理,明确不同油藏条件下CO_(2)的驱油方式,最大限度挖潜CO_(2)驱的潜力。利用分子动力学模拟方法研究了组分、温度、压力对油滴-CO_(2)相互作用的影响。求取动力学参数,量化表征油滴-CO_(2)间的相互作用,厘清了不同条件下二者的微观相互作用规律。模拟结果显示,色散力是主导CO_(2)-烷烃分子相互作用的主要作用能,二者相互作用主要包含两方面:一是CO_(2)分子克服烷烃分子间的位阻作用向油滴内部溶解扩散,二是CO_(2)分子对油滴外层分子的萃取吸引作用。随着烷烃分子链长减小、温度降低和压力增加,油滴溶解度参数和CO_(2)配位数增加,油滴外层分子的弯曲度减小,二者的相互作用增强。研究结果认为,在温度较低、压力较高的轻质和中轻质油藏中,应尽可能地实现CO_(2)混相驱和近混相驱,在温度较高、压力较低的中质和重质油藏中,应充分发挥CO_(2)非混相驱的溶解降黏、膨胀原油体积和补充能量的优势。研究结果能够为室内研究和现场实施CO_(2)驱油提供理论指导。 展开更多
关键词 CO_(2)驱油 微观作用机理 分子动力学模拟 色散能 溶解扩散
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潮湿环境下金红石型纳米TiO_(2)掺杂聚乙烯的分子动力学模拟
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作者 张涛 周浩翰 +1 位作者 陈敏 孙金莉 《绝缘材料》 CAS 北大核心 2024年第2期38-46,共9页
为了从微观角度分析金红石型纳米TiO_(2)掺杂对聚乙烯(polyethylene,PE)材料性能的影响,采用分子动力学模拟方法,构建不同水分子质量分数的PE和TiO_(2)/PE复合模型,以温度为变量研究分析纳米TiO_(2)改性PE材料前后的热力学性能和微观结... 为了从微观角度分析金红石型纳米TiO_(2)掺杂对聚乙烯(polyethylene,PE)材料性能的影响,采用分子动力学模拟方法,构建不同水分子质量分数的PE和TiO_(2)/PE复合模型,以温度为变量研究分析纳米TiO_(2)改性PE材料前后的热力学性能和微观结构以及水分子在复合体系中的扩散能力。结果表明:纳米TiO_(2)的掺杂使PE体系的玻璃化转变温度提高了33 K,杨氏模量提升了428.17%,剪切模量提升了338.62%。纳米TiO_(2)极大抑制了PE分子链的运动和水分子的扩散,增强了复合体系的稳定性。水分子的加入和温度的升高降低了复合体系的热力学性能,这两者均破坏了复合体系的稳定性。 展开更多
关键词 分子动力学 聚乙烯 金红石型纳米TiO_(2) 水分子 温度
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介孔SBA-16负载Nb_(2)O_(5)光催化脱硫催化剂
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作者 李剑 丁重允 +1 位作者 王雯雯 杨丽娜 《石油化工》 CAS CSCD 北大核心 2024年第4期496-504,共9页
采用浸渍法制备了Nb_(2)O_(5)/SBA-16催化剂,利用XRD、FTIR、N_(2)吸附-脱附、UV-Vis、SEM、TEM、XRF等方法分析了催化剂结构和性质。以含二苯并噻吩的十二烷溶液为模拟油,分别以30%(w)H_(2)O_(2)和甲醇为氧化剂和萃取剂,考察了催化剂... 采用浸渍法制备了Nb_(2)O_(5)/SBA-16催化剂,利用XRD、FTIR、N_(2)吸附-脱附、UV-Vis、SEM、TEM、XRF等方法分析了催化剂结构和性质。以含二苯并噻吩的十二烷溶液为模拟油,分别以30%(w)H_(2)O_(2)和甲醇为氧化剂和萃取剂,考察了催化剂的光催化氧化脱硫性能,优化了工艺条件并提出了催化机理。实验结果表明,Nb_(2)O_(5)/SBA-16催化剂保持了高度有序的介孔结构,且比表面积高、活性组分分散均匀;反应符合一级动力学;选择20%(w)Nb_(2)O_(5)/SBA-16催化剂,当催化剂用量1%(w)、O/S摩尔比10∶1、萃取剂与模拟油体积比1∶1时,脱硫效果最佳,脱硫率达98.06%,循环6次后仍有较高脱硫率;反应的主要活性中间物种为超氧自由基和空穴。 展开更多
关键词 Nb_(2)O_(5) SBA-16 负载 光催化 脱硫 分子筛
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页岩油注CO_(2)重有机质沉积机理的分子模拟
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作者 黄世军 王鹏 赵凤兰 《石油科学通报》 CAS 2024年第2期307-317,共11页
页岩油注CO_(2)过程中的重有机质沉积风险不容忽视,明确页岩油注CO_(2)过程中重有机质沉积的微观作用机理是准确预测重有机质沉积风险的关键。采用平衡分子动力学(EMD)和巨正则蒙特卡洛(GCMC)模拟方法,基于页岩基质纳米孔隙结构特征,通... 页岩油注CO_(2)过程中的重有机质沉积风险不容忽视,明确页岩油注CO_(2)过程中重有机质沉积的微观作用机理是准确预测重有机质沉积风险的关键。采用平衡分子动力学(EMD)和巨正则蒙特卡洛(GCMC)模拟方法,基于页岩基质纳米孔隙结构特征,通过建立代表性的有机质孔隙模型,探究了页岩油烃类组分在页岩基质纳米孔隙中的分布规律、影响因素及CO_(2)注入对烃类组分分布规律的影响。模拟结果表明,有机质孔隙中的重质组分主要以吸附态的形式存在,轻质组分主要以游离态的形式分布在孔隙中央区域;CO_(2)注入会抽提页岩油中的轻质组分,破坏胶质—沥青质分子的稳定结构,重有机质分子在芳核结构间的π-π堆积作用下发生缔合、沉积,并最终吸附在页岩基质纳米孔隙壁面。此外,CO_(2)注入会能置换出部分吸附态的甲烷和乙烷,干酪根基质内的微孔空间是主要的CO_(2)地质封存空间。研究结果揭示了页岩油注CO_(2)过程中的重有机质沉积的微观作用机理。 展开更多
关键词 页岩油 注CO_(2) 重有机质沉积机理 分子模拟
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Au-TiO_(2)光电极界面声子热输运特性的分子动力学模拟
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作者 桑丽霞 李志康 《物理学报》 SCIE EI CAS CSCD 北大核心 2024年第10期116-125,共10页
为了研究光电分解水体系中具有热等离激元效应的Au-TiO_(2)电极的界面热输运特性,本文采用非平衡分子动力学方法研究了温度、界面耦合强度以及添加石墨烯层对Au-TiO_(2)界面热导的影响,并通过声子态密度对界面热导的变化进行了分析.研... 为了研究光电分解水体系中具有热等离激元效应的Au-TiO_(2)电极的界面热输运特性,本文采用非平衡分子动力学方法研究了温度、界面耦合强度以及添加石墨烯层对Au-TiO_(2)界面热导的影响,并通过声子态密度对界面热导的变化进行了分析.研究结果表明,当体系温度从300 K增加到800 K时,Au-TiO_(2)界面导热系数增加了78.55%,这与更多的低频声子参与界面热输运相关,更多的热量传递到TiO_(2)上可促进界面反应.随着Au与TiO_(2)界面耦合强度的增大,界面热导率可通过TiO_(2)和Au的声子态密度的重叠程度得到优化.添加单层石墨烯可提高Au-TiO_(2)结构的界面热导,其中0—30 THz的低频区声子对导热贡献最大,但添加2层和3层石墨烯,石墨烯层与层之间的相互作用力阻碍了界面传热,且在低频区的声子数量有所降低,不利于热量在Au和TiO_(2)之间进行传递. 展开更多
关键词 Au-TiO_(2) 界面热导 声子态密度 分子动力学
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Thermal decomposition effect of MgCo_(2)O_(4)nanosheets on ammonium perchlorate-based energetic molecular perovskites 被引量:1
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作者 Er-hai An Xiao-xia Li +3 位作者 Hai-xia Zhao Ying-xin Tan Xiong Cao Peng Deng 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第2期111-119,共9页
Energetic molecular perovskites have attracted widespread attention in the fields of energy materials due to their high detonation performance.In this work,we reported the effect of MgCo_(2)O_(4) nanosheets on the the... Energetic molecular perovskites have attracted widespread attention in the fields of energy materials due to their high detonation performance.In this work,we reported the effect of MgCo_(2)O_(4) nanosheets on the thermal decomposition of ammonium perchlorate(NH_(4)ClO_(4),AP)-based energetic molecular perovskites(AP-based energetic molecular perovskites).The morphology and structure of the MgCo_(2)O_(4) nanosheets were characterized.And their catalytic effect on the thermal decomposition of AP-based energetic molecular perovskites(H_2pz)[NH_(4)(ClO_(4))_(3)](PAP-4),(H_2dabco)[NH_(4)(ClO_(4))_(3)](DAP-4),(H_2mpz)[NH_(4)(ClO_(4))_(3)](PAP-M_(4)),and (H_2hpz)[NH_(4)(ClO_(4))_(3)](PAP-H_(4)) was analyzed.The results showed that MgCo_(2)O_(4) nanosheets had excellent intrinsically catalytic performance towards enhancing the thermal decomposition of AP-based energetic molecular perovskites.After adding MgCo_(2)O_(4) nanosheets,the thermal decomposition peak temperatures of PAP-4,DAP-4,PAP-M_(4),and PAP-H_(4) had been reduced by35.7℃,48.4℃,37.9℃,and 43.6℃,respectively.And the activation energy(Ea)of the thermal decomposition of AP-based energetic molecular perovskites had been reduced,the Eaof PAP-H_(4) decreased by 46.4 kJ/mol at most among them.The catalytic mechanism of MgCo_(2)O_(4) nanosheets for AP-based energetic molecular perovskites is analyzed.This work provides a reference for the future application of AP-based energetic molecular perovskites. 展开更多
关键词 AP-based energetic molecular perovskites MgCo_(2)O_(4)nanosheets Thermal decomposition Catalytic performance
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HER-2低表达与HER-2阴性早期乳腺癌临床与病理特征及NACT效果对比 被引量:1
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作者 段帅 地力木拉提·艾斯木吐拉 +1 位作者 郭晨明 李慧芳 《西部医学》 2024年第2期262-267,共6页
目的 探讨人表皮生长因子受体-2(HER-2)低表达与HER-2阴性早期乳腺癌临床与病理特征及新辅助化疗(NACT)效果的差异性。方法 收集2018年1月—2022年7月于我院行NACT及手术治疗的137例早期乳腺癌患者的临床资料行回顾性分析,根据化疗前HE... 目的 探讨人表皮生长因子受体-2(HER-2)低表达与HER-2阴性早期乳腺癌临床与病理特征及新辅助化疗(NACT)效果的差异性。方法 收集2018年1月—2022年7月于我院行NACT及手术治疗的137例早期乳腺癌患者的临床资料行回顾性分析,根据化疗前HER-2状态分为HER-2低表达组(HER2-low组,n=94)和HER-2阴性组(HER2-zero组,n=43),并进一步依据激素受体状态(HR+/-)分为HR+/HER2-low组(n=74)、HR+/HER2-zero组(n=28)、HR-/HER2-low组(n=20)、HR-/HER2-zero组(n=15)四个亚组;对比分析两组及亚组间的年龄、BMI、月经状态、分子亚型、组织学分级,TNM分期、化疗方案和周期、手术方式,NACT前后雌孕激素受体和Ki-67状态,NACT后靶病灶客观缓解率和腋窝淋巴结缩小比例,术后腋窝淋巴结病理状态和病理M&P分级,组间及亚组间pCR率等。结果 HER2-low组患病率显著高于HER2-zero组(P<0.05);HER2-low组与HER2-zero组一般资料差异无统计学意义(P>0.05);HER2-low组雌激素受体阳性率和Ki-67<35%的比例显著高于HER2-zero组,而在靶病灶客观缓解率(ORR)和HR-亚组中的pCR率显著降低,同时对比发现HR-/HER2-low亚组具有较高的组织学分级和较低的Ki-67<35%状态,差异均有统计学意义(P<0.05);HER2-low组与HER2-zero组在腋窝淋巴结缩小比例、术后腋窝淋巴结病理状态及组间pCR率等其他预后指标方面差异无统计学意义(P>0.05)。结论 HER-2低表达较HER-2阴性早期乳腺癌患病率高,且具有较高的雌激素受体阳性率和较低的Ki-67状态,缩瘤效果较差,并在激素受体阴性亚组中的pCR率显著降低,同时发现低pCR率与较高的组织学等级和较低的Ki-67状态相关。 展开更多
关键词 乳腺癌 HER-2低表达 临床特征 分子表达
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Synthesis of phenanthrimidazole from 9,10-phenanthraquinone and aldehydes by molecular iodine as catalyst 被引量:2
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作者 Hossein Behmadi Mina Roshani Seyed Mahdi Saadati 《Chinese Chemical Letters》 SCIE CAS CSCD 2009年第1期5-8,共4页
A new,convenient,efficient,and cost-effective one-pot synthesis of 1H-phenanthro[9,10]imidazol-2-yl from phenantherenquinone and aldehydes,using molecular iodine as catalyst is described.The present methodology offers... A new,convenient,efficient,and cost-effective one-pot synthesis of 1H-phenanthro[9,10]imidazol-2-yl from phenantherenquinone and aldehydes,using molecular iodine as catalyst is described.The present methodology offers several advantages such as excellent yields,simple procedure,shorter reaction times,and the use of inexpensive reagents. 展开更多
关键词 1H-Phenanthro[9 10]imidazol-2-yl Phenantherenquinone molecular iodine
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基于分子动力学的热化学储能过程中CaO/Ca(OH)_(2)分子扩散机制研究
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作者 房意 李英杰 +3 位作者 张友浩 任宇 韩奎华 赵建立 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2024年第5期71-80,共10页
在CaO/Ca(OH)_(2)热化学储能过程中,CaO晶粒的结构演变会影响材料的储能和机械性能.本文通过分子动力学模拟研究了热化学储能过程中CaO/Ca(OH)_(2)晶粒中分子的扩散强度和晶格结构的变化.结果表明,脱水反应过程中Ca(OH)_(2)分子的运动... 在CaO/Ca(OH)_(2)热化学储能过程中,CaO晶粒的结构演变会影响材料的储能和机械性能.本文通过分子动力学模拟研究了热化学储能过程中CaO/Ca(OH)_(2)晶粒中分子的扩散强度和晶格结构的变化.结果表明,脱水反应过程中Ca(OH)_(2)分子的运动符合体扩散机制.其中,O/H原子的扩散指前因子为7.9×10^(-8)m^(2)/s,而Ca原子的扩散指前因子仅为4.7×10^(-8) m^(2)/s,O/H的快速扩散破坏了材料原有的晶格结构,使得脱水后CaO的结晶度降低.在水合反应过程中,CaO晶粒外层分子的扩散指前因子为3.2×10^(-8) m^(2)/s,为内层分子的2.5倍,CaO分子扩散符合表面扩散机制.由于水合过程中CaO分子的整体扩散强度较弱,因此对CaO晶格结构影响较小.从分子层面揭示了CaO/Ca(OH)_(2)分子在热化学储能过程中的扩散机制. 展开更多
关键词 氧化钙/氢氧化钙热化学储能 氧化钙晶粒 机械性能 分子扩散 分子动力学模拟
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A mild,efficient and selective iodination of aromatic compounds using iodine and 1,4-bis(triphenylphosphonium)-2-butene peroxodisulfate 被引量:1
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作者 Rashid Badri Maryam Gorjizadeh 《Chinese Chemical Letters》 SCIE CAS CSCD 2009年第12期1439-1443,共5页
A simple and efficient method for the iodination of aromatic compounds has been achieved in the presence of iodine and 1,4- bis(triphenylphosphonium)-2-butene peroxodisulfate.
关键词 Iodoaromafic compounds Aromatic compounds iodine 1 4-Bis(triphenylphosphonium)-2-butene peroxodisulfate
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T-2毒素毒性分子作用机制与脱毒的研究进展
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作者 杨宇翔 修福晓 +3 位作者 孙宁 徐耀禄 张自强 刘玉梅 《饲料研究》 CAS 北大核心 2024年第4期166-171,共6页
T-2毒素是一种A类单端孢霉烯族毒素,具有高度致毒作用、毒性较难降解等特点,严重威胁人类和动物安全。目前,用于T-2毒素脱毒的方法有物理吸附法、化学试剂中和法、微生物分解法等。但T-2毒素导致的中毒反应的分子机制还尚未明确,可能涉... T-2毒素是一种A类单端孢霉烯族毒素,具有高度致毒作用、毒性较难降解等特点,严重威胁人类和动物安全。目前,用于T-2毒素脱毒的方法有物理吸附法、化学试剂中和法、微生物分解法等。但T-2毒素导致的中毒反应的分子机制还尚未明确,可能涉及多个方面,如线粒体损伤、细胞自噬、免疫逃逸、细胞凋亡等。因此,文章主要探讨了T-2毒素毒性作用分子机制以及T-2毒素脱毒的研究进展,为T-2毒素的深入研究提供参考。 展开更多
关键词 T-2毒素 毒性效应 分子机制 霉菌毒素
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A SARS-CoV-2 neutralizing antibody discovery by single cell sequencing and molecular modeling
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作者 Zheyue Wang Qi Tang +14 位作者 Bende Liu Wenqing Zhang Yufeng Chen Ningfei Ji Yan Peng Xiaohui Yang Daixun Cui Weiyu Kong Xiaojun Tang Tingting Yang Mingshun Zhang Xinxia Chang Jin Zhu Mao Huang Zhenqing Feng 《The Journal of Biomedical Research》 CAS CSCD 2023年第3期166-178,共13页
Although vaccines have been developed,mutations of SARS-CoV-2,especially the dominant B.1.617.2(delta)and B.1.529(omicron)strains with more than 30 mutations on their spike protein,have caused a significant decline in... Although vaccines have been developed,mutations of SARS-CoV-2,especially the dominant B.1.617.2(delta)and B.1.529(omicron)strains with more than 30 mutations on their spike protein,have caused a significant decline in prophylaxis,calling for the need for drug improvement.Antibodies are drugs preferentially used in infectious diseases and are easy to get from immunized organisms.The current study combined molecular modeling and single memory B cell sequencing to assess candidate sequences before experiments,providing a strategy for the fabrication of SARS-CoV-2 neutralizing antibodies.A total of 128 sequences were obtained after sequencing 196 memory B cells,and 42 sequences were left after merging extremely similar ones and discarding incomplete ones,followed by homology modeling of the antibody variable region.Thirteen candidate sequences were expressed,of which three were tested positive for receptor binding domain recognition but only one was confirmed as having broad neutralization against several SARS-CoV-2 variants.The current study successfully obtained a SARS-CoV-2 antibody with broad neutralizing abilities and provided a strategy for antibody development in emerging infectious diseases using single memory B cell BCR sequencing and computer assistance in antibody fabrication. 展开更多
关键词 SARS-CoV-2 neutralizing antibody single B cell BCR sequencing molecular modeling
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