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Wilhelmy吊片法测定磷脂溶液的表面张力等温线 被引量:1
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作者 李远非 杨训方 +5 位作者 王桂玲 郭莹 王煦 李馨儒 周艳霞 谢英 《大学化学》 CAS 2023年第1期155-160,共6页
表面活性物质的表面张力等温线测定是大学物理化学实验的重要内容。随着磷脂类表面活性剂的广泛应用,有必要在大学化学中更新经典表面张力等温线测定的实验内容,并使学生掌握先进的测量方法。以二硬脂酰基磷脂酰胆碱(DSPC)和二棕榈酰基... 表面活性物质的表面张力等温线测定是大学物理化学实验的重要内容。随着磷脂类表面活性剂的广泛应用,有必要在大学化学中更新经典表面张力等温线测定的实验内容,并使学生掌握先进的测量方法。以二硬脂酰基磷脂酰胆碱(DSPC)和二棕榈酰基磷脂酰胆碱(DPPC)为研究对象,应用界面张力仪测定了两种溶液表面张力等温线,计算了其表面超量和分子横截面积,并设计了拓展性实验内容,对于培养学生分析问题和解决问题的能力具有积极的意义。 展开更多
关键词 磷脂 表面张力等温线 实验教学
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Data-Driven Deep Learning for OTFS Detection 被引量:2
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作者 Yi Gong Qingyu li +2 位作者 Fanke Meng xinru li Zhan Xu 《China Communications》 SCIE CSCD 2023年第1期88-101,共14页
Recently,orthogonal time frequency space(OTFS)was presented to alleviate severe Doppler effects in high mobility scenarios.Most of the current OTFS detection schemes rely on perfect channel state information(CSI).Howe... Recently,orthogonal time frequency space(OTFS)was presented to alleviate severe Doppler effects in high mobility scenarios.Most of the current OTFS detection schemes rely on perfect channel state information(CSI).However,in real-life systems,the parameters of channels will constantly change,which are often difficult to capture and describe.In this paper,we summarize the existing research on OTFS detection based on data-driven deep learning(DL)and propose three new network structures.The presented three networks include a residual network(ResNet),a dense network(DenseNet),and a residual dense network(RDN)for OTFS detection.The detection schemes based on data-driven paradigms do not require a model that is easy to handle mathematically.Meanwhile,compared with the existing fully connected-deep neural network(FC-DNN)and standard convolutional neural network(CNN),these three new networks can alleviate the problems of gradient explosion and gradient disappearance.Through simulation,it is proved that RDN has the best performance among the three proposed schemes due to the combination of shallow and deep features.RDN can solve the issue of performance loss caused by the traditional network not fully utilizing all the hierarchical information. 展开更多
关键词 DATA-DRIVEN deep learning OTFS DETECTION
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RO_(x) Budgets and O_(3) Formation during Summertime at Xianghe Suburban Site in the North China Plain 被引量:3
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作者 Min XUE Jianzhong MA +5 位作者 Guiqian TANG Shengrui TONG Bo HU Xinran ZHANG xinru li Yuesi WANG 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2021年第7期1209-1222,共14页
Photochemical smog characterized by high concentrations of ozone(O_(3)) is a serious air pollution issue in the North China Plain(NCP)region,especially in summer and autumn.For this study,measurements of O_(3),nitroge... Photochemical smog characterized by high concentrations of ozone(O_(3)) is a serious air pollution issue in the North China Plain(NCP)region,especially in summer and autumn.For this study,measurements of O_(3),nitrogen oxides(NO_(x)),volatile organic compounds(VOCs),carbon monoxide(CO),nitrous acid(HONO),and a number of key physical parameters were taken at a suburban site,Xianghe,in the NCP region during the summer of 2018 in order to better understand the photochemical processes leading to O_(3)formation and find an optimal way to control O_(3)pollution.Here,the radical chemistry and O_(3)photochemical budget based on measurement data from 1−23 July using a chemical box model is investigated.The daytime(0600−1800 LST)average production rate of the primary radicals referred to as RO_(x)(OH+HO2+RO2)is 3.9 ppbv h−1.HONO photolysis is the largest primary RO_(x)source(41%).Reaction of NO2+OH is the largest contributor to radical termination(41%),followed by reactions of RO2+NO2(26%).The average diurnal maximum O_(3)production and loss rates are 32.9 ppbv h−1 and 4.3 ppbv h−1,respectively.Sensitivity tests without the HONO constraint lead to decreases in daytime average primary RO_(x)production by 55%and O_(3)photochemical production by 42%,highlighting the importance of accurate HONO measurements when quantifying the RO_(x)budget and O_(3)photochemical production.Considering heterogeneous reactions of trace gases and radicals on aerosols,aerosol uptake of HO2 contributes 11%to RO_(x)sink,and the daytime average O_(3)photochemical production decreases by 14%.The O_(3)-NO_(x)-VOCs sensitivity shows that the O_(3)production at Xianghe during the investigation period is mainly controlled by VOCs. 展开更多
关键词 photochemical smog RO_(x)budgets O_(3)production rate O_(3)chemical regime
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From Different Thinking Discussing the Principles of Intercultural Translation
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作者 xinru li 《International Journal of Technology Management》 2013年第8期93-95,共3页
关键词 跨文化 翻译 语言交流 文化问题
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Portable solar billboard
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作者 Fangyue ZHAO Xinhua YI +4 位作者 jia CAI Weishi MA Boyan liU xinru li Yansong MENG 《Research and Application of Materials Science》 2022年第1期20-23,共4页
Public bulletin boards are widely used in various public places,but due to the large size of the billboards,it is not easy to carry,and the traditional billboards are integrated,when the billboards need to be transfer... Public bulletin boards are widely used in various public places,but due to the large size of the billboards,it is not easy to carry,and the traditional billboards are integrated,when the billboards need to be transferred,the limited storage space of the vehicle needs to be occupied It is extremely inconvenient,and at night,the traditional bulletin boards need to install additional light sources to illuminate them,which greatly increases energy consumption.Based on this paper designed a new structure of the bulletin board,this structure can make the bulletin board when not in use completely folded up and easy to carry,and in use can be completely unfolded and in the bottom of the added retractable support leg structure can be placed anywhere,and according to the terrain or human will to adjust the height.A solar panel is placed on the top of the bulletin board,which can store solar energy during the day and supply energy to the LED lights on the top at night for lighting,which saves energy and is very environmentally friendly. 展开更多
关键词 PORTABLE solar energy environment protection Billboard
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聚合物-脂质纳米粒用于增强酪氨酸血症I型治疗性碱基编辑器质粒的肝靶向递送研究
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作者 高达同 林萌 +11 位作者 彭祎玮 李嘉嘉 杨宜靓 滕雨璐 陈思宇 孙雯 吴子楠 袁泉 仰浈臻 周艳霞 李馨儒 齐宪荣 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2024年第3期189-200,共12页
酪氨酸血症I型是一种罕见的常染色体隐性遗传病,目前尚无有效的治疗方法。近年来,以碱基编辑器为代表的基因编辑技术已被报道用于酪氨酸血症I型的治疗。然而,由于生理屏障的存在,碱基编辑器递送困难。在本研究中,我们构建了一种靶向去... 酪氨酸血症I型是一种罕见的常染色体隐性遗传病,目前尚无有效的治疗方法。近年来,以碱基编辑器为代表的基因编辑技术已被报道用于酪氨酸血症I型的治疗。然而,由于生理屏障的存在,碱基编辑器递送困难。在本研究中,我们构建了一种靶向去唾液酸糖蛋白受体的聚合物-脂质纳米递送系统,用于改善酪氨酸血症I型治疗性核酸药物的递送效率。我们首先合成了一种生物可降解性丙烯酸酯-氨基醇共聚物用于递送碱基编辑器质粒,其转染效率显著优于市售转染试剂Hieff Trans^(TM)。随后,共聚物纳米粒与DOPE-PEG-Gal NAc自组装形成聚合物-脂质纳米粒,用于增强纳米粒的肝脏递送效率。在体外转染实验中,包载Fah-p CMV-ABE6.3-EGFP碱基编辑器质粒的聚合物-脂质纳米粒表现出了良好的肝细胞选择性,其转染效率是游离质粒的70倍以上。研究表明,携带肝靶向配体的聚合物-脂质纳米递送系统能够有效增强治疗性碱基编辑器质粒的肝靶向递送效率并为酪氨酸血症I型的基因治疗提供了一种潜在的递送载体。 展开更多
关键词 酪氨酸血症I型 碱基编辑器 聚合物-脂质纳米粒 转染效率 基因递送
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氧化铱纳米颗粒修饰碳纤维电极用于水果中pH在线检测 被引量:3
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作者 李心如 周璘 苏彬 《中国科学:化学》 CAS CSCD 北大核心 2021年第3期383-387,共5页
pH检测在农业生产、食品加工、环境保护、疾病诊断等领域有着重要意义.电化学法具有响应速度快、灵敏度高和操作简单等优点,是目前最常用的pH检测方法之一.然而,商品化的pH计存在体积大、质子敏感膜易损等问题,仅能在相对稳定的样本溶... pH检测在农业生产、食品加工、环境保护、疾病诊断等领域有着重要意义.电化学法具有响应速度快、灵敏度高和操作简单等优点,是目前最常用的pH检测方法之一.然而,商品化的pH计存在体积大、质子敏感膜易损等问题,仅能在相对稳定的样本溶液环境中工作,并不适用于植入式pH分析.本文将氧化铱纳米颗粒修饰在碳纤维微电极表面,构建了一种微型、可植入的固态pH传感器.该传感器具有超能斯特pH响应,可以达到约65.5 mV/pH的灵敏度,宽检测范围(pH≈2–12)和较高稳定性.最后我们将该pH传感器植入水果组织内,实现了水果内pH值的在线检测. 展开更多
关键词 氧化铱 植入式 PH 超能斯特 水果
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Prediction of large-gap quantum spin hall insulator and Rashba-Dresselhaus effect in two-dimensional g-TIA (A = N, P, As, and Sb) monolayer films 被引量:3
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作者 xinru li Ying Dai +3 位作者 Yandong Ma Wei Wei lin Yu Baibiao Huang 《Nano Research》 SCIE EI CAS CSCD 2015年第9期2954-2962,共9页
A new family of two-dimensional (2D) topological insulators (TIs) comprising g-TIA (A = N, P, As, and Sb) monolayers constructed by T1 and group-V elements is predicted by first-principles calculations and molec... A new family of two-dimensional (2D) topological insulators (TIs) comprising g-TIA (A = N, P, As, and Sb) monolayers constructed by T1 and group-V elements is predicted by first-principles calculations and molecular-dynamics (MD) simulations. The geometric stability, band inversion, nontrivial edge states, and electric polarity are investigated to predict the large-gap quantum spin Hall insulator and Rashba-Dresselhaus effects. The MD results reveal that the g-T1A monolayers remain stable even at room temperature. The g-T1A (A = As, Sb) monolayers become TIs under the influence of strong spin-orbit couplings with large bulk bandgaps of 131 and 268 meV, respectively. A single band inversion is observed in each g-T1A (A = As, Sb) monolayer, indicating a nontrivial topological nature. Furthermore, the topological edge states are described by introducing a sufficiently wide zigzag-nanoribbon. A Dirac point in the middle of the bulk gap connects the valence- and conduction-band edges. The Fermi velocity near the Dirac point with a linear band dispersion is -0.51 × 106 m/s, which is comparable to that of many other 2D nanomaterials. More importantly, owing to the broken inversion symmetry normal to the plane of the g-T1A films, a promising Rashba-Dresselhaus effect with the parameter up to 0.85 eV-A is observed in the g-T1A (A = As, Sb) monolayers. Our findings regarding 2D topological g-T1A monolayers with room-temperature bandgaps, intriguing topological edge states, and a promising Rashba-Dresselhaus effect are of fundamental value and suggest potential applications in nanoelectronic devices. 展开更多
关键词 two-dimensionalmonolayers topological insulators quantum spin HALL effect Rashba-Dresselhaus effect density functional theories
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靶向小肠PepT1的碳酸钙纳米颗粒的制备与表征(英文) 被引量:4
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作者 邓运强 靳尧 +8 位作者 何楚瑜 邹洋 周远航 韩诗迪 周楚航 刘琦 李馨儒 周艳霞 刘艳 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2018年第6期397-407,共11页
为了克服小肠上皮屏障,提高难溶性药物的小肠吸收,本研究制备了甘氨酰肌氨酸(Gly-Sar)修饰的靶向小肠寡肽转运体1(Pep T1)的碳酸钙纳米粒。首先成功合成了Gly-Sar与TPGS的偶联物,然后制备了载香豆素6(C6)的Gly-Sar修饰的碳酸钙纳米粒,... 为了克服小肠上皮屏障,提高难溶性药物的小肠吸收,本研究制备了甘氨酰肌氨酸(Gly-Sar)修饰的靶向小肠寡肽转运体1(Pep T1)的碳酸钙纳米粒。首先成功合成了Gly-Sar与TPGS的偶联物,然后制备了载香豆素6(C6)的Gly-Sar修饰的碳酸钙纳米粒,其粒径约为193 nm,扫描电镜下可见其表面有丰富的裂纹,载药率为60.5%±5.9%。此外,经Gly-Sar修饰的碳酸钙纳米粒在跨膜转运过程中具有良好的载药稳定性,并能明显提高难溶性药物的小肠吸收。因此,靶向小肠Pep T1的碳酸钙纳米粒在难溶性药物的口服递送中具有潜在的优势。 展开更多
关键词 碳酸钙纳米粒 寡肽转运体 甘氨酰肌氨酸 体外释放 小肠吸收
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Specific biotests to assess eco-toxicity of biodegradable polymer materials in soil 被引量:2
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作者 Haiyan Chen Fei Wang +10 位作者 Huilun Chen HongDa Fang Weiying Feng Yuan Wei FanFan Wang HaiLei Su YiDong Mi Min Zhou xinru li Serena Doni Andrea Corti 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2021年第7期150-162,共13页
Eco-toxicity investigation of polymer materials was considered extremely necessary for their potential menace,which was widely use as mulching materials in agricultural.In this study,polyethylene(PE),polystyrene(PS)an... Eco-toxicity investigation of polymer materials was considered extremely necessary for their potential menace,which was widely use as mulching materials in agricultural.In this study,polyethylene(PE),polystyrene(PS)and synthetic biomaterials-Ecoflex and cellulose were applying into soil cultivated with two potential indicator plants species:oat(A v ena sati v a)and red radish(Raphanus sativum).Variety of chemical,biochemical parameters and enzyme activity in soil were proved as effective approach to evaluate polymers phytotoxicity in plant-soil mesocosm.The F-value of biomass,pH,heavy metal and electoral conductivity of Raphanus behaved significant different from T0.Significant analysis results indicated biodegradation was fast in PE than PS,besides,heavy metals were dramatically decrease in the end implied the plant absorption may help decrease heavy metal toxicity.The increase value at T2 of Dehydrogenase activity(0.84 higher than average value for Avena&0.91 higher for Raphanus),Metabolic Index(3.12 higher than average value for Avena&3.81 higher for Raphanus)means during soil enzyme activity was promoted by biodegradation for its heterotrophic organisms’energy transportation was stimulated.Statistics analysis was carried on Biplot PC1(24.2%of the total variance),PC2(23.2%of the total variance),versus PC3(22.8%of the total variance),which indicated phosphatase activity and metabolic index was significant correlated,and high correlation of ammonium and protease activity.Furthermore,the effects were more evident in Raphanus treatments than in Avena,suggesting the higher sensitivity of Raphanus to polymers treatment,which indicate biodegradation of polymers in Raphanus treatment has produced intermediate phytotoxic compounds. 展开更多
关键词 Avena sativa Raphanus sativum Polymer materials BIODEGRADATION Eco-toxicity PHYTOTOXICITY
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靶向小肠转运体的聚合物胶束的制备与表征(英文) 被引量:2
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作者 何楚瑜 靳尧 +7 位作者 邓运强 邹洋 韩诗迪 周楚杭 周远航 李馨儒 周艳霞 刘艳 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2018年第7期490-497,共8页
小肠上皮是难溶性药物口服递送的主要屏障,本研究基于小肠上皮表达的新型有机阳离子转运体2(OCTN2),设计并制备了由肉毒碱修饰的聚(2-乙基-2-噁唑啉)-聚乳酸(Car-PEOz-PLA)与聚乙二醇-聚乳酸(mPEG-PLA)构成的聚合物胶束。用~1H NMR、TL... 小肠上皮是难溶性药物口服递送的主要屏障,本研究基于小肠上皮表达的新型有机阳离子转运体2(OCTN2),设计并制备了由肉毒碱修饰的聚(2-乙基-2-噁唑啉)-聚乳酸(Car-PEOz-PLA)与聚乙二醇-聚乳酸(mPEG-PLA)构成的聚合物胶束。用~1H NMR、TLC、硫氰酸铬铵(雷氏盐)沉淀法确证了所合成的Car-PEOz-PLA的结构,用GPC测定其分子量为7260 g/mol,PDI=1.44。采用薄膜水化法制备包载香豆素6的肉毒碱修饰的聚合物胶束,其粒径约为31 nm,载药量和包封率分别为0.098%±0.03%和92.67%±2.80%。其在模拟胃液和肠液中具有相似的体外释放行为,并明显增强了难溶药物的小肠吸收。因此,靶向OCTN2的聚合物胶束在口服递送难溶药物方面具有潜在的优势。 展开更多
关键词 肉毒碱 新型有机阳离子转运体2 聚合物胶束 体外释放 小肠吸收
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双重pH敏感的聚合物-阿霉素偶联物胶束的制备与表征(英文)
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作者 邹洋 靳尧 +7 位作者 周远航 何楚瑜 邓运强 韩诗迪 周楚杭 李馨儒 周艳霞 刘艳 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2018年第8期530-539,共10页
为了有效抑制肿瘤生长并降低抗肿瘤药物的毒副作用,本研究设计并构建了基于阿霉素(DOX)与聚(2-乙基-2-噁唑啉)-聚乳酸(PEOz-PLA)偶联物(PEOz-PLA-imi-DOX)的双重pH敏感聚合物胶束。成功合成了DOX与pH敏感的PEOz-PLA经酸敏感的安息香亚... 为了有效抑制肿瘤生长并降低抗肿瘤药物的毒副作用,本研究设计并构建了基于阿霉素(DOX)与聚(2-乙基-2-噁唑啉)-聚乳酸(PEOz-PLA)偶联物(PEOz-PLA-imi-DOX)的双重pH敏感聚合物胶束。成功合成了DOX与pH敏感的PEOz-PLA经酸敏感的安息香亚胺键偶联的PEOz-PLA-imi-DOX,并用1H NMR和薄层色谱进行了确证,芘荧光探针法测定其临界胶束浓度为(14.84±3.85)mg/L。由PEOz-PLA-imi-DOX经薄膜水化法制备的偶联物胶束(PP-DOX-PM)的粒径约为21 nm,载药量为1.67%。体外释放实验表明,PP-DOX-PM具有随着pH的降低而释放逐渐加快的pH依赖性释放行为,说明该胶束能识别正常生理环境和胞内的pH差异,预示该胶束具有胞内快速释药的特征。此外,PP-DOX-PM保持了DOX对MDA-MB-231细胞的毒性。因此,PP-DOX-PM胶束在抗肿瘤方面具有潜在的优势。 展开更多
关键词 阿霉素 安息香亚胺键 聚合物-药物偶联物 pH敏感聚合物胶束 体外释放
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Time-series surface water reconstruction method(TSWR)based on spatial distance relationship of multi-stage water boundaries
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作者 Mingyang li Shanlong Lu +6 位作者 Cong Du Yong Wang Chun Fang xinru li Hailong Tang Muhammad Hasan Ali Baig Harrison Odion Ikhumhen 《International Journal of Digital Earth》 SCIE EI 2022年第1期2335-2354,共20页
Spatiotemporal continuity of surface water datasets widely known for its significance in the surface water dynamic monitoring and assessments,are faced with drawbacks like cloud influence,which hinders the direct extr... Spatiotemporal continuity of surface water datasets widely known for its significance in the surface water dynamic monitoring and assessments,are faced with drawbacks like cloud influence,which hinders the direct extraction of data from time-series remote sensing images.This study proposes a Time-series Surface Water Reconstruction method(TSWR).The initial stage of this method involves the effective use of remote sensing images to automatically construct multi-stage surface water boundaries based on Google Earth Engine(GEE).Then,we reconstructed regions the reconstruction of regions with missing water pixels using the distance relationship between the multi-stage water boundaries in previous and later periods.When applied to 10 large rivers around the world,this method yielded an overall accuracy of 98%for water extraction,an RMSE of 0.41 km2.Furthermore,time-series reconstruction tests conducted in 2020 on the Lancang and Danube rivers revealed a significant improvement in the image availability.These findings demonstrated that this method could not only be used to accurately reconstruct the surface water distribution missing water images,but also to depict a more pronounced time variation characteristic.The successful application of this method on GEE demonstrates its importance for use on large scales or in global studies. 展开更多
关键词 Google earth engine sentinel-2 surface water reconstruction time-series surface water data
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作为新型具有抗细菌生物膜活性的两亲性材料——鼠李糖苷的结构与活性之间的关系研究(英文)
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作者 彭光华 张文茜 +7 位作者 宋茂远 殷梦雅 王佳星 李佳佳 刘雅婕 张媛媛 李馨儒 李桂玲 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2018年第12期817-823,共7页
本研究的目的在于探究新型两亲性材料—鼠李糖苷抗细菌生物膜活性的构效关系,为选择具有最佳抗细菌生物膜活性的鼠李糖苷提供依据。成功合成得到一系列具有不同碳链长度的烷基鼠李糖苷,并用~1H NMR进行了结构表征,用荧光探针法测定其临... 本研究的目的在于探究新型两亲性材料—鼠李糖苷抗细菌生物膜活性的构效关系,为选择具有最佳抗细菌生物膜活性的鼠李糖苷提供依据。成功合成得到一系列具有不同碳链长度的烷基鼠李糖苷,并用~1H NMR进行了结构表征,用荧光探针法测定其临界胶束浓度(CMC),计算得到其亲水亲油平衡值(HLB),用肉汤二倍稀释法测定其抗金黄色葡萄球菌的最低抑菌浓度,用结晶紫法测定生物膜抑制和生物膜拆分效应。研究结果表明,随碳链长度的增加,烷基鼠李糖苷的CMC和HLB呈直线下降趋势,表明其疏水性和表面活性随之增强;十二烷基鼠李糖苷具有最强的体外抗菌活性,同时也具有最强的体外抗细菌生物膜活性。该研究结果预示,通过构效关系可以获得具有最强抗细菌生物膜活性的鼠李糖苷材料。 展开更多
关键词 生物膜 烷基鼠李糖苷 两亲性材料 构效关系
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MoTe2 is a good match for Gel by preserving quantum spin Hall phase
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作者 xinru li Ying Dai +3 位作者 Chengwang Niu Yandong Ma Wei Wei Baibiao Huang 《Nano Research》 SCIE EI CAS CSCD 2017年第8期2823-2832,共10页
Quantum spin Hall (QSH) insulator is a new class of materials that is quickly becoming mainstream in condensed-matter physics. The main obstacle for the development of QSH insulators is that their strong interaction... Quantum spin Hall (QSH) insulator is a new class of materials that is quickly becoming mainstream in condensed-matter physics. The main obstacle for the development of QSH insulators is that their strong interactions with substrates make them difficult to study experimentally. In this study, using density functional theory, we discovered that MoTe2 is a good match for a GeI monolayer. The thermal stability of a van der Waals GeI/MoTe2 heterosheet was examined via molecular-dynamics simulations. Simulated scanning tunneling microscopy revealed that the GeI monolayer perfectly preserves the bulked honeycomb structure of MoTe2. The GeI on MoTe2 was confirmed to maintain its topological band structure with a sizable indirect bulk bandgap of 0.24 eV by directly calculating the spin Chern number to be -1. As expected, the electron mobility of the GeI is enhanced by MoTe2 substrate restriction. According to deformation- potential theory with the effective-mass approximation, the electron mobility of GeI/MoTe2 was estimated as 372.7 cm^2·s^-1·V^-1 at 300 K, which is 20 times higher than that of freestanding GeI. Our research shows that traditional substrates always destroy the topological states and hinder the electron transport in QSH insulators, and pave way for the further realization and utilization of QSH insulators at room temperature. 展开更多
关键词 quantum spin Hall insulators van der Waals heterostructures first-principles study
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