Identification and analysis of odor of patients with exterior syndrome based on medical electronic nose

目的:运用自主研发的医用电子鼻探讨表证患者口腔呼气的气味图谱特征及气味识别准确率。方法:选择表证青年患者150例和健康青年人200名,运用基于薄膜型气体传感器阵列技术的医用电子鼻(nAnOfIlM-EnOSE MEdICAl001)采集口腔呼气的气味图谱,以响应曲线的振幅和上升斜率作为曲线特征,分析表证患者及其寒热病性的图谱特征,并进行判别分析。结果:表寒证和表热证患者的气味图谱响应曲线A、b、d、E、g、H的振幅和上升斜率均显著高于健康学生(P<0.01)。表热证患者的气味图谱响应曲线A、b、d、E、H的振幅和上升斜率均显著高于表寒证患者(P<0.05,P<0.01),表热证患者的气味图谱响应曲线g的振幅显著高于表寒证患者(P<0.01)。判别分析显示对健康青年人、表寒证青年患者、表热证青年患者口腔呼气的识别准确率分别为90.5%、86.5%、88.0%,对全部案例的识别准确率为89.1%。结论:表证青年患者口腔呼气的气味较健康青年人浓烈,且表热证青年患者气味变化较表寒证青年患者更明显,本医用电子鼻能够较为敏感和准确地辨识表证青年患者口腔呼气的气味特征及其寒热病性。医用电子鼻技术的发展可为中医嗅诊客观化研究提供手段和方法。Objective: to explore the odor response pattern characteristics of oral breath of patients with exterior syndrome and accuracy rates of odor identiication by medical electronic nose which was independent research and development.Methods: 150 young patients with exterior syndrome and 200 healthy young students were observed.Odor response patterns of oral breath were collected by the electronic nose(Nanoilm-Enose Medical001) based on a ilm of gas sensor array.The amplitude and rising slope of response curves were selected as curve characteristics to analyze pattern characteristics of exterior syndrome including exterior cold syndrome and exterior heat syndrome,and discriminant analysis was done.Results: In odor response patterns of patients with exterior cold syndrome and with exterior heat syndrome,the amplitudes and rising slopes of response curve A,B,D,E,G and H were signiicantly higher than those of healthy students(P<0.01).In odor response patterns of patients with exterior heat syndrome,the amplitudes and rising slopes of response curve A,B,D,E and H were signiicantly higher than those of patients with exterior cold syndrome(P<0.05,P<0.01),and the amplitude of response curve G was signiicantly higher than that of patients with exterior cold syndrome(P<0.01).Discriminant analysis showed that the accuracy rate of oral breath identiication of healthy students,patients with exterior cold syndrome and patients with exterior heat syndrome was 90.5%,86.5% and 88.0% respectively,and the accuracy rate of all cases was 89.1%.Conclusion: The odors of oral breath of patients with exterior syndrome were signiicantly stronger than those of healthy people.The odors of patients with exterior heat syndrome were signiicantly stronger than those of patients with exterior cold syndrome.This medical electronic nose could distinguish odor characteristic of oral breath of patients with exterior syndrome sensitively and accurately;and it could also distinguish odor characteristic of exterior cold syndrome from exterior heat syndrome.The development of medical electronic nose could provide a kind of new means for the study on the objectiication of TCM smelling examination.国家自然科学基金项目(No.30901899); 福建省教育厅A类项目(No.JA09132)~

Study on odor response patterns of patients with exterior syndrome based on electronic nose technology

目的:运用电子鼻技术探讨表证患者口腔呼气的气味图谱特征。方法:选择表证患者(青年学生)114例和健康青年学生255名,运用基于薄膜型气体传感器阵列技术的医用电子鼻(nAnOfIlM-EnOSE MEdICAl001)采集口腔呼气的气味图谱,以响应曲线的振幅和上升斜率作为曲线特征,分析表证患者及其寒热病性的图谱特征。结果:1表证患者的气味图谱响应曲线A、b、d、E、g、H的振幅和上升斜率均显著高于健康学生(P<0.05,P<0.01)。2表寒证和表热证患者的气味图谱响应曲线A、b、d、E、g、H的振幅均显著高于健康学生(P<0.05,P<0.01)。3表寒证患者的气味图谱响应曲线A、b、d、g的上升斜率显著高于健康学生(P<0.05,P<0.01)。表热证患者的气味图谱响应曲线A、b、d、E、g、H的上升斜率显著高于健康学生(P<0.05,P<0.01)。4表热证患者的气味图谱响应曲线A、b、d、E、H的振幅和上升斜率均显著高于表寒证患者(P<0.05)。结论:表证患者口腔呼气的气味较健康人浓烈,且表热证患者气味变化较表寒证患者更明显,本电子鼻能够较为敏感和准确地辨识表证患者口腔呼气的气味特征及其寒热病性,电子鼻技术的发展可为中医嗅诊客观化研究提供手段和方法。Objective: To explore the odor response pattern characteristics of oral breath of patients with exterior syndrome by electronic nose.Methods: 114 patients with exterior syndrome(young students) and 255 healthy young students were observed.Odor response patterns of oral breath were collected by the electronic nose(Nanofilm-Enose Medical001) based on a thin film of gas sensors array.The amplitude and rising slope of response curves were selected as curve characteristics to analyze pattern characteristics of exterior syndrome including exterior cold syndrome and exterior heat syndrome.Results: ①In odor response patterns of patients with exterior syndrome,the amplitudes and rising slopes of response curve A,B,D,E,G and H were significantly higher than those of healthy students(P<0.05,P<0.01).②In odor response patterns of patients with exterior cold syndrome and with exterior heat syndrome,the amplitudes of response curve A,B,D,E,G and H were significantly higher than those of healthy students(P<0.05,P<0.01).③In odor response patterns of patients with exterior cold syndrome,the rising slopes of response curve A,B,D and G were significantly higher than those of healthy students(P<0.05,P<0.01).In odor response patterns of patients with exterior heat syndrome,the rising slopes of response curve A,B,D,E,G and H were significantly higher than those of healthy students(P<0.05,P<0.01).④In odor response patterns of patients with exterior heat syndrome,the amplitudes and rising slopes of response curve A,B,D,E and H were significantly higher than those of patients with exterior cold syndrome(P<0.05).Conclusion: The odors of oral breath of patients with exterior syndrome were significantly stronger than those of healthy people.The odors of patients with exterior heat syndrome were significantly stronger than those of patients with exterior cold syndrome.This electronic nose could distinguish odor characteristics of oral breath of patients with exterior syndrome sensitively and accurately;and it could also distinguish odor characteristics of exterior cold syndrome from exterior heat syndrome.The development of electronic nose could provide a kind of new means for the study on the objectification of TCM smelling examination.国家自然科学基金项目(No.30901899); 福建省教育厅A类项目(No.JA09132)~

Identifying the Conformational Isomers of Single-Molecule Cyclohexane at Room Temperature

构象异构是化学中的基本问题。然而对于环己烷等柔性分子，由于其在室温下极快的互变异构过程，基于系综的表征方法（如核磁等）只能得到所有构象平均贡献的结果。为了应对这一挑战，化学化工学院洪文晶教授与夏海平教授课题组为在室温条件下对柔性分子构象的定量分析与表征这一挑战，课题组成功实现了在室温条件下对环己烷两种椅式构象的电学表征与比例识别。同时，通过纳米电极间隙对分子的限域作用，发现在宏观尺度下极不稳定的扭船式中间体得以在单分子尺度稳定存在，这为不稳定中间体的研究提供了重要表征方法。 这一研究工作是在化学化工学院洪文晶教授、夏海平教授共同指导下完成的，iChEM直博生唐淳与化工系研究生唐永翔为论文共同第一作者。师佳副教授与刘俊扬副研究员为该工作提供了指导，博士后陈志昕、博士研究生陈李珏以及研究生叶艺玲、严哲玮、张珑漪共同参与了该工作。【Abstract】Isomerism reflects the ubiquitous nature that molecules with the same molecular formula show different structures. The interconversion between conformational isomers of flexible molecules is quite fast owing to the low barriers of around 10 kcal mol−1, leading to average signal contributed by all the possible isomers characterized by ensemble methods. On this account, identifying the conformational isomers of flexible molecules at room temperature has a substantial challenge. Here, we develop a single-molecule approach to identify the conformational isomers of cyclohexane at room temperature through the single-molecule electrical characterization. By noise analysis and feature extraction of the conductance of single-molecule junctions, we quantificationally identified two chair isomers of cyclohexane at room temperature, while such identification is only feasible at low temperatures by ensemble characterization. The strategy to apply the single-molecule approach to identify conformational isomers paves the avenue to investigate the isomerization of flexible molecules beyond the ensemble methods.This work was supported by the National Natural Science Foundation of China (nos, 21722305, 21673195, 21703188, and U1705254), the National Key R&D Program of China (2017YFA0204902), China Postdoctoral Science Foundation (no. 2017M622060), and the Fundamental Research Funds for Xiamen University (20720190002).该工作获得了科技部国家重点研发计划、国家自然科学基金等项目的资助，也得到了固体表面物理化学国家重点实验室、能源材料化学协同创新中心的支持

Room-temperature quantum interference in single perovskite quantum dot junctions

钙钛矿材料由于其高量子产率、载流子迁移率和独特的光致发光特性而在光电材料领域存在诸多潜在的重要应用。研究钙钛矿材料在纳米尺度下电荷输运的独特尺寸效应对钙钛矿光电器件的设计和开发具有重要的指导意义。洪文晶教授课题组基于机械可控裂结技术自主研发了具有皮米级位移调控灵敏度和飞安级电学测量精度的精密科学仪器，对南开大学李跃龙副教授团队合成的钙钛矿量子点进行了深入表征，研究工作成功将量子干涉的研究体系拓展至在光电领域具有重要应用的钙钛矿材料领域，为未来制备基于量子干涉效应的新型钙钛矿器件提供了一种全新的思路。 这一跨学科国际合作研究工作是在化学化工学院洪文晶教授、英国Lancaster 大学物理系Colin J. Lambert教授以及南开大学电子信息与光电工程学院李跃龙副教授的共同指导下完成的。化工系硕士研究生郑海宁、Lancaster University大学Songjun Hou博士、南开大学硕士研究生辛晨光为论文第一作者。博士后林禄春，博士研究生谭志冰、郑珏婷，硕士研究生蒋枫、张珑漪，本科生何文翔、李庆民等参与了论文的研究工作。刘俊扬特任副研究员、师佳副教授和萨本栋微纳米研究院杨扬副教授也参与了部分指导工作。The studies of quantum interference effects through bulk perovskite materials at the Ångstrom scale still remain as a major challenge. Herein, we provide the observation of roomtemperature quantum interference effects in metal halide perovskite quantum dots (QDs) using the mechanically controllable break junction technique. Single-QD conductance measurements reveal that there are multiple conductance peaks for the CH3NH3PbBr3 and CH3NH3PbBr2.15Cl0.85 QDs, whose displacement distributions match the lattice constant of QDs, suggesting that the gold electrodes slide through different lattice sites of the QD via Auhalogen coupling. We also observe a distinct conductance ‘jump’ at the end of the sliding process, which is further evidence that quantum interference effects dominate charge transport in these single-QD junctions. This conductance ‘jump’ is also confirmed by our theoretical calculations utilizing density functional theory combined with quantum transport theory. Our measurements and theory create a pathway to exploit quantum interference effects in quantum-controlled perovskite materials.This work was supported by the National Key R&D Program of China (2017YFA0204902, 2014DFE60170, 2018YFB1500105), the National Natural Science Foundation of China (Nos. 21673195, 21503179, 21490573, 61674084, 61874167), the Open Fund of the Key Laboratory of Optical Information Science & Technology (Nankai University) of China, the Fundamental Research Funds for the Central Universities of China (63181321, 63191414, 96173224), and the 111 Project (B16027), the Tianjin Natural Science Foundation (17JCYBJC41400), FET Open project 767187—QuIET, the EU project BAC-TO-FUEL and the UK EPSRC projects EP/N017188/1, EP/M014452/1. 该工作得到国家重点研发计划课题（2017YFA0204902）、国家自然科学基金（21673195、21503179、21490573）、厦门大学“人工智能分析引擎”双一流重大专项等项目的资助，也得到了固体表面物理化学国家重点实验室、能源材料化学协同创新中心的支持

Influences of Terrace Construction and Check Dam Silting-up

为了研究梯田建设和淤地坝淤积对流域土壤侵蚀的影响,本文首先建立了包含梯田、坡耕地、陡坡草地以及坝地在内的黄土高原丘陵沟壑区流域简化模型,并定义了流域的先锋期、过渡期以及顶级期三个状态,使用修正通用土壤流失方程(RUSLE)分析了不同时期的流域土壤侵蚀模数。结果显示:先锋期与顶级期是流域水土保持治理的极限状态,先锋期峁边线上部土壤侵蚀模数为299.56t&times;hm-2&times;a-1,下部土壤侵蚀模数为136.64t&times;hm-2&times;a-1,平均侵蚀模数为229.74t&times;hm-2&times;a-1;顶级期峁边线上部土壤侵蚀模数为39.10t&times;hm-2&times;a-1,下部土壤侵蚀模数为1.10t&times;hm-2&times;a-1,平均侵蚀模数为22.81t&times;hm-2&times;a-1;在过渡期,随着梯田面积比例的增加,峁边线上部土壤侵蚀模数呈指数减少,而随着淤积高度的增加,峁边线下部土壤侵蚀模数呈线性减少,文章最后对这一结论进行了实证分析。</span

东湖通道工程对沿线水域水生植物的影响

东湖通道是武汉市在建的交通路网工程,穿越东湖风景区,其中约5 km为湖底隧道。通过研究施工围堰对沿线水域水生植物的影响,可为湖泊管理提供应对措施。于2014年3月和5月通道工程施工期间,在其沿线的典型水域如封闭区域、半封闭区域、敞水湖湾、敞水迎风岸带和新形成的堤岸外共设置16个采样点,调查水生植物的种类、生物量和水质参数等。结果表明,水生植物群落结构受水温的影响,3月采样时平均水温为13.7℃,未发现挺水植物,采集到菹草(Potamogeton crispus)、穗花狐尾藻(Myriophyllum spicatum)和五刺金鱼藻(Ceratophyllum oryzetorum)3种沉水植物以及荇菜(Nymphoides peltatum)1种浮叶植物,可见少量的漂浮植物浮萍(Lemna minor),其中沉水植物菹草为绝对优势种;5月的平均水温为24.8℃,除上述3种沉水植物外,还采集到了苦草(Vallisneria natans),但菹草的优势地位明显下降,另外采集到了荇菜和菱(Trapa bicornis)2种浮叶植物,荇菜的相对生物量和优势度最高,也可见少量的浮萍。在相对封闭的水域,因受风浪的影响较小,这些区域相对于迎风岸带具有较高的水生植物覆盖度和生物量,水体的营养盐浓度也相对较高,总氮(TN)和总磷(TP)浓度的高低与水生植物生物量多少的变化趋势一致。通道施工形成的新岸堤外,只有部分位点分布有水生植物,其原因可能是因为目前这些位点缺乏种源、水体较深、透明度低等。由于通道围堰施工增加了沿线的封闭水体,使得水生植被的覆盖度和生物量大幅度提高,通道施工对其沿线水生植物的影响是正面的;施工期间对水生植物没有产生不利影响,但在工程竣工后拆除围堰时,须防止悬浮物和机械扰动对现有植被的破坏

Adsorptive removal of phosphate from water using Fe-Mn binary oxide coated sea sand

利用铁锰复合氧化物包覆海砂制备了一种用于污水除磷的新型颗粒状吸附剂,并对其表面特性与磷吸附行为进行了研究.扫描电镜(SEM)分析结果表明,包覆后海砂颗粒表面凹凸不平且多孔,BET比表面积由0.06增至2.52 m~2·g~(-1).磷吸附实验结果表明,包覆后海砂对磷的吸附能力显著提高,最大吸附容量为1.01~ 1.23 mg·g~(-1),优于多数文献报道的负载改性砂颗粒吸附剂;吸附动力学更符合准二级动力学方程,推测磷在包覆海砂表面发生了化学吸附;溶液pH对磷吸附有一定影响,离子强度则影响不大;共存阴离子对磷吸附影响的大小顺序为SiO_3~(2-) > CO_3~(2-) > F~- > SO_4~(2-) >Cl~-

负载铜的活性炭用于低浓度甲硫醇的吸附

采用浸渍法制备了负载铜的木质活性炭样品,研究了负载量、灼烧温度对材料吸附低浓度甲硫醇的性能影响,研究发现负载量和灼烧温度均对材料性能有显著作用,其中最佳的灼烧温度为300 ℃,最佳负载量为0.7 mmol·g~(-1),采用低温氮吸附方法、X射线衍射分析(XRD)、X射线光电子能谱法(XPS)、扫描电子显微镜(SEM)和高分辨透射电镜(HRTEM)等方法对样品进行了表征和分析,从分析结果可知,材料的吸附性能和材料比表面、样品中Cu的价态及分散状况均存在一定关系。经过优化的样品对低浓度甲硫醇表现出了良好的吸附性能,其穿透时间比空白活性炭样品提高6倍以上