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Rapid qualitative and quantitative analysis of strong aroma base liquor based on SPME-MS combined with chemometrics

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Food Science and Human Wellness 2021年第3期10卷 362-369页

作者： Zongbao Sun Junkui Li Jianfeng Wu xiaobo zou Chi-Tang Ho Liming Liang Xiaojing Yan Xuan Zhou School of Food and Biological Engineering Jiangsu UniversityZhenjiang 212013China Department of Food Science Rutgers UniversityNew BrunswickNew Jersey 08903USA Jiangsu King’s Luck Brewery Co.Ltd. Lianshui 223411China

To objectively classify and evaluate the strong aroma base liquors(SABLs)of different grades,solid-phase microextraction-mass spectrometry(SPME-MS)combined with chemometrics were *** showed that SPME-MS combined with a back-propagation artificial neural network(BPANN)method yielded almost the same recognition performance compared to linear discriminant analysis(LDA)in distinguishing different grades of SABL,with 84%recognition rate for the test *** least squares(PLS),successive projection algorithm partial least squares(SPA-PLS)model,and competitive adaptive reweighed samplingpartial least squares(CARS-PLS)were established for the prediction of the four esters in the ***-PLS model showed a greater advantage in the quantitative analysis of ethyl acetate,ethyl butyrate,ethyl caproate,and ethyl *** results corroborated the hypothesis that SPME-MS combined with chemometrics can effectively achieve an accurate determination of different grades of SABL and prediction performance of esters.

关键词： SPME-MS Strong aroma base liquor(SABL) Chemometrics Grade identification Ester compounds

Thermodynamics-directed bulk/grain-boundary engineering for superior electrochemical durability of Ni-rich cathode

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Journal of Energy Chemistry 2024年第10期97卷 321-331,I0006页

作者： Kangyu zou Mingzhu jiang Tianxiang Ning Lei Tan Junchao Zheng Jiexi Wang xiaobo Ji Lingjun Li School of Materials Science and Engineering Changsha University of Science and TechnologyChangsha 410114HunanChina Cllege of Chemistry and Chemical Engineering Central South UniversityChangsha 410083HunanChina School of Metallurgy and Environment Central South UniversityChangsha 410083HunanChina National Engineering Research Centre of Advanced Energy Storage Materials Changsha 410205HunanChina

Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li~+*** that the non-magnetic Ti~(4+)ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal ***,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign ***,a LiTaO_3 grain boundary(GB)coating and bulk Ti-doping have been successfully achieved in LiNi_(0.834)Co_(0.11)Mn_(0.056)O_(2) cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating *** to the coupling effect of strengthened structural/interfacial stability and improved Li~+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1%after 400 cycles at 1 *** elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.

关键词： Ni-rich layered cathode Dual-modification Grain boundary coating Bulk doping Thermodynamic perspective

Interfacial/bulk synergetic effects accelerating charge transferring for advanced lithium-ion capacitors

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Chinese Chemical Letters 2024年第6期35卷 168-175页

作者： Chang Liu Zirui Song Xinglan Deng Shihong Xu Renji Zheng Wentao Deng Hongshuai Hou Guoqiang zou xiaobo Ji School of Chemistry and Chemical Engineering Hunan Institute of EngineeringXiangtan 411104China College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083China Key Laboratory of Hunan Province for Clean and Efficient Utilization of Strategic Calcium-Containing Mineral Resources School of Minerals Processing and BioengineeringCentral South UniversityChangsha 410083China

The exploration of advanced materials through rational structure/phase design is the key to develop highperformance lithium-ion capacitors(LICs).However,high complexity of material preparation and difficulty in quantity production largely hinder the further ***,Cu_(5)FeS_(4-x)/C(CFS@C)heterojunction with rich sulfur vacancies has successfully achieved from natural bornite,presenting low costeffective and bulk-production *** functional theory(DFT)calculations indicate that rich vacancies in bulk phase can decrease band gap of bornite and thus improve its intrinsic electron conductivity,as well as the heterojunction spontaneously evokes a built-in electric field between its interfacial region,largely reducing the migration barrier from 1.27 e V to 0.75 e *** from these merits,the CFS@C electrodes deliver outperformed lithium storage performance,e.g.,high reversible capacity(822.4m Ah/g at 0.1 A/g),excellent cycling stability(up to 820 cycles at 2 A/g and 540 cycles at 5 A/g with respective capacity retention of over or nearly 100%).With CFS@C as anode and porous carbon nanosheets(PCS)as cathode,the assembled CFS@C//PCS LIC full cells exhibit high energy/power density characteristics of 139.2 Wh/kg at 2500 W/*** work is expected to offer significant insights into structure modifications/devising toward natural minerals for advanced energy-storage systems.

关键词： Bulk/interfacial modification Heterostructure Sulfur vacancies Lithium ion capacitors Capacitors

用遗传算法快速提取近红外光谱特征区域和特征波长

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光学学报 2007年第7期27卷 1316-1321页

作者：邹小波赵杰文江苏大学农产品加工研究所

提出了一种遗传区间偏最小二乘法(GA-iPLS),并用该方法快速提取苹果糖度近红外光谱的特征区域,在此基础上采用遗传偏最小二乘法(GA-PLS)提取苹果糖度近红外光谱的特征波长,进行苹果糖度预测。结果表明,整个光谱等分为40个子区间,遗传区... 详细信息

提出了一种遗传区间偏最小二乘法(GA-iPLS),并用该方法快速提取苹果糖度近红外光谱的特征区域,在此基础上采用遗传偏最小二乘法(GA-PLS)提取苹果糖度近红外光谱的特征波长,进行苹果糖度预测。结果表明,整个光谱等分为40个子区间,遗传区间偏最小二乘法能快速寻找出5个特征子区间(第4,6,8,11,18号);在5个特征子区间的基础上用遗传偏最小二乘法继续优化,从中提取44个特征波长。建立在5个特征子区间和44个特征波长上的偏最小二乘法模型精度均优于全光谱偏最小二乘法模型,对预测集的预测相关系数提高了近10%;且模型得到了很大的简化,用于建模的主因子数减少了7个。这些结果表明,用这两种方法不但可以建立简洁、数据运算量少的模型,还可以快速地提取近红外光谱的特征区域和特征波长。

关键词：光谱学近红外光谱遗传算法偏最小二乘法糖度苹果

Robust Cross-Linked Na_(3)V_(2)(PO_(4))_(2)F_(3) Full Sodium-Ion Batteries

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Energy & Environmental Materials 2024年第1期7卷 9-20页

作者： Jinqiang Gao Ye Tian Lianshan Ni Baowei Wang Kangyu zou Yingchang Yang Ying Wang Craig E.Banks Dou Zhang Kechao Zhou Huan Liu Wentao Deng Guoqiang zou Hongshuai Hou xiaobo Ji College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083China College of Material and Chemical Engineering Tongren UniversityTongren 554300China Department of Chemistry The Chinese University of Hong KongShatinN.T.Hong Kong S.A.R.China Faculty of Science and Engineering Manchester Metropolitan UniversityManchester UK State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China School of Materials Science and Engineering Hunan Provincial Key Lab of Advanced Materials for New Energy Storage and ConversionHunan University of Science and TechnologyXiangtan 411201China School of Materials and Engineering Zhengzhou UniversityZhengzhou 450001China

Sodium-ion batteries(SIBs)have rapidly risen to the forefront of energy storage systems as a promising supplementary for Lithium-ion batteries(LIBs).Na_(3)V_(2)(PO_(4))_(2)F_(3)(NVPF)as a common cathode of SIBs,features the merits of high operating voltage,small volume change and favorable specific energy ***,it suffers from poor cycling stability and rate performance induced by its low intrinsic ***,we propose an ingenious strategy targeting superior SIBs through cross-linked NVPF with multi-dimensional nanocarbon frameworks composed of amorphous carbon and carbon nanotubes(NVPF@C@CNTs).This rational design ensures favorable particle size for shortened sodium ion transmission pathway as well as improved electronic transfer network,thus leading to enhanced charge transfer kinetics and superior cycling *** from this unique structure,significantly improved electrochemical properties are obtained,including high specific capacity(126.9 mAh g^(-1)at 1 C,1 C=128 mA g^(-1))and remarkably improved long-term cycling stability with 93.9%capacity retention after 1000 cycles at 20 *** energy density of 286.8 Wh kg^(-1)can be reached for full cells with hard carbon as anode(NVPF@C@CNTs//HC).Additionally,the electrochemical performance of the full cell at high temperature is also investigated(95.3 mAh g^(-1)after 100 cycles at 1 C at 50℃).Such nanoscale dual-carbon networks engineering and thorough discussion of ion diffusion kinetics might make contributions to accelerating the process of phosphate cathodes in SIBs for large-scale energy storages.

关键词： dual-nanocarbon networks full sodium-ion battery ion transfer kinetics Na_(3)V_(2)(PO_(4))_(2)F_(3) NASICON structure

支持向量机在电子鼻区分不同品种苹果中的应用

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农业工程学报 2007年第1期23卷 146-149页

作者：邹小波赵杰文江苏大学农产品加工研究所镇江212013

为了提高电子鼻检测苹果气味的精度和鲁棒性,利用6点平滑法对气体传感器的数据进行去噪处理,并用支持向量机建立识别模型。应用结果表明,经过去噪处理后,曲线变得光滑,但仍能保持原来的形状,这说明去噪处理既滤除了传感器数据中的噪声... 详细信息

为了提高电子鼻检测苹果气味的精度和鲁棒性,利用6点平滑法对气体传感器的数据进行去噪处理,并用支持向量机建立识别模型。应用结果表明,经过去噪处理后,曲线变得光滑,但仍能保持原来的形状,这说明去噪处理既滤除了传感器数据中的噪声同时又保留了传感器的主要信息。提取每个传感器的最大值作为特征参数。分别运用主成分分析和两个支持向量机模型区分富士、花牛、姬娜3种不同品种苹果的气味,主成分分析结果表明3种苹果分布区域存在重叠;两个支持向量机模型可以很好的区分这3种苹果,其中对姬娜和富士的识别正确率达到90%以上,而对花牛苹果的识别正确率达到100%。

关键词：电子鼻支持向量机苹果识别气体传感器阵列

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电子鼻数据的预处理技术与应用

农业机械学报 2006年第5期37卷 83-86页

作者：邹小波赵杰文江苏大学农产品加工研究所

针对电子鼻的数据特点,提出用一个3维数组保存电子鼻的数据;采用6点平滑方法去除传感器的噪声;在基线校正中,首先通过二阶导数大于零和连续一阶导数大于零的方法找到样本反应起始点,然后减去环境响应值并提取相同长度的数据段,以提高电... 详细信息

针对电子鼻的数据特点,提出用一个3维数组保存电子鼻的数据;采用6点平滑方法去除传感器的噪声;在基线校正中,首先通过二阶导数大于零和连续一阶导数大于零的方法找到样本反应起始点,然后减去环境响应值并提取相同长度的数据段,以提高电子鼻的精度和可重复性。对预处理前后的电子鼻数据中提出的特征进行主成分分析发现,预处理后的主成分结果所含的有用信息更多,而且可以很好地区分红富士和姬娜两种不同香味的苹果。

关键词：电子鼻数据预处理主成分分析

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基于小波去噪和支持向量机的苹果品种识别法

仪器仪表学报 2007年第3期28卷 534-538页

作者：邹小波赵杰文江苏大学农产品加工研究所镇江212013

本文提出了一种用电子鼻来区分富士、花牛、姬娜3种不同品种苹果气味的方法。首先利用多尺度小波分析对气体传感器的数据进行去噪处理,再用支持向量机建立识别模型,最后通过优化2个支持向量机模型的核函数及其参数,将重叠的苹果气味数... 详细信息

本文提出了一种用电子鼻来区分富士、花牛、姬娜3种不同品种苹果气味的方法。首先利用多尺度小波分析对气体传感器的数据进行去噪处理,再用支持向量机建立识别模型,最后通过优化2个支持向量机模型的核函数及其参数,将重叠的苹果气味数据进行高维空间变换用SVM回归模型识别。实验结果表明,第一个支持向量机模型对花牛苹果的识别正确率达到100%,第二个支持向量机模型对姬娜和富士的识别率大于90%。

关键词：电子鼻多尺度小波分析支持向量机苹果气体传感器品种识别

独立分量分析预处理法提高苹果糖度模型预测精度研究

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分析化学 2006年第9期34卷 1291-1294页

作者：邹小波赵杰文江苏大学农产品加工研究所江苏大学农产品加工研究所镇江212013

为了提高苹果近红外光谱糖度预测模型精度,利用独立分量分析方法(ICA)对苹果近红外光谱进行了预处理,并且建立了糖度的偏最小二乘(PLS)预测模型。结果表明,独立分量分析不但能分离出噪声信号,而且所分离出来的光谱信号也比原始光谱信号... 详细信息

为了提高苹果近红外光谱糖度预测模型精度,利用独立分量分析方法(ICA)对苹果近红外光谱进行了预处理,并且建立了糖度的偏最小二乘(PLS)预测模型。结果表明,独立分量分析不但能分离出噪声信号,而且所分离出来的光谱信号也比原始光谱信号光滑。在预处理后的最佳PLS糖度模型校正时的相关系数rc和标准偏差SEC分别为0.9549和0.3361,用于预测时的相关系数rp和标准偏差SEP分别为0.9071和0.4355。与普通的平均处理法的PLS模型相比,其精度有所提高,且模型更加简洁。

关键词：独立分量分析近红外光谱噪声偏最小二乘法