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科研机构
中南大学 [6]
湖南大学 [2]
大连化学物理研究所 [1]
上海大学 [1]
内容类型
期刊论文 [10]
发表日期
2013 [10]
学科主题
物理化学 [1]
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Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data
期刊论文
trac-trends in analytical chemistry, 2013, 卷号: 47, 页码: 37-46
作者:
Zhang, Liangxiao
;
Tang, Chunlan
;
Cao, Dongsheng
;
Zeng, Yingxu
;
Tan, Binbin
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2014/09/11
Gas chromatography coupled to mass spectrometry (GC-MS)
Data mining
Identification accuracy
Information extraction
Mass spectral characteristics
Mass spectral transfer
Multivariate analysis
Retention index (RI)
Small molecule
Structure elucidation
Identification of terpenoids from Ephedra combining with accurate mass and in-silico retention indices
期刊论文
Talanta, 2013, 卷号: 103, 页码: 116-122
作者:
He, Min
;
Yan, Jun
;
Cao, Dongsheng
;
Liu, Shao
;
Zhao, Chenxi
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
Terpenoids
Ephedra
Chemometric methods
Accurate mass
In-silico retention indices
Designing of molecularly imprinted polymer-based potentiometric sensor for the determination of heparin
期刊论文
Analytical Biochemistry, 2013, 卷号: 434, 期号: 2, 页码: 242-246
作者:
Li, Lifeng
;
Liang, Yizeng
;
Liu, Youcai*
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/03
Heparin
Potentiometric sensor
Molecularly imprinted polymer (MIP)
Glassy carbon
Detection
Analysis of Essential Oils and Fatty Acids from Platycodi Radix using Chemometric Methods and Retention Indices
期刊论文
Journal of Chromatographic Science, 2013, 卷号: 51, 期号: 4, 页码: 318-330
作者:
He, Min
;
Li, Yaping
;
Yan, Jun
;
Cao, Dongsheng
;
Liang, Yizeng*
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/03
Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data
期刊论文
TrAC - Trends in Analytical Chemistry, 2013, 卷号: 47, 页码: 37-46
作者:
Zhang, Liangxiao*
;
Tang, Chunlan
;
Cao, Dongsheng
;
Zeng, Yingxu
;
Tan, Binbin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/03
AI
Artificial intelligence
CASE
Computer-aided structure elucidation
CI
Chemical ionization
DA
Dissimilarity analysis
ECL
Equivalent chain length
EI
Electron ionization or electron impact
FAME
Fatty-acid methyl ester
FCL
Fraction chain length
GC-MS
Gas chromatography-mass spectrometry
IR
Infrared
KNN
K-nearest neighbor
LDA
Linear discriminant analysis
m/z
Mass-to-charge ratio
NIST
National Institute of Standards and Technology
NMR
Nuclear magnetic resonance
PCA
Principal component analysis
PLS-DA
Partial least squares discriminant analysis
PUFA
Polyunsaturated fatty acid
QSAR
Quantitative structure-activity relationship
RI
Retention index
RT
Retention time
SVM
Support vector machine
TOF
Time-of-flight
UFA
Unsaturated fatty acid
UV
Ultraviolet
Gas chromatography coupled to mass spectrometry (GC-MS)
Data mining
Identification accuracy
Information extraction
Mass spectral characteristics
Mass spectral transfer
Multivariate analysis
Retention index (RI)
Small molecule
Structure elucidation
Ferrocenoyl Phenylalanine: A New Strategy Toward Supramolecular Hydrogels with Multistimuli Responsive Properties
期刊论文
Journal of the American Chemical Society, 2013, 卷号: 135, 期号: 36, 页码: 13379-13386
作者:
Sun, Zhifang
;
Li, Zhengyuan
;
He, Yonghui
;
Shen, Rujuan
;
Deng, Liu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
Detection and identification of extra virgin olive oil adulteration by GC-MS combined with chemometrics
期刊论文
Journal of Agricultural and Food Chemistry, 2013, 卷号: 61, 期号: 15, 页码: 3693-3702
作者:
Yang, Yang
;
Ferro, Miguel Duarte
;
Cavaco, Isabel
;
Liang, Yizeng*
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/03
olive oil
adulteration
univariate analysis
multivariate analysis
PLS-LDA
Monte Carlo tree
The Stochastic Dynamics for Ecological Tourism System with Visitor Educational Intervention
期刊论文
MATHEMATICAL PROBLEMS IN ENGINEERING, 2013, 卷号: 2013
作者:
Wei, Dongping[1]
;
Wen, Shouwen[2]
;
Chen, Yizeng[3]
;
Xu, Yong[4]
;
Liang, Bing[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/04/30
Theoretical study on insecticidal activities and structural modification for N-arylaminocarbonyl-2-benzothiazolinone/benzoxazolone
期刊论文
Journal of Central South University of Science and Technology, 2013, 卷号: Vol.44 No.11, 页码: 4399-4407
作者:
Feng, Changjun
;
Liu, Zhiguo
;
Liang, Yizeng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/01/05
N-arylaminocarbonyl-2-benzothiazolinone/benzoxazolone
density functional theory (DFT)
quantum chemical descriptor
Aphis fabae
Tetranychus urticae
insecticidal activity
insecticidal mechanism
quantitative structure-activity relationship (QSAR)
Comparison and analysis of fatty acids between oil-tea camellia seed oil and other vegetable oils
期刊论文
China Oils and Fats, 2013, 卷号: Vol.38 No.3, 页码: 77-80
作者:
Ai Fangfang
;
Bin Jun
;
Zhong Dan
;
Yang Yang
;
Liang Yizeng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/01/05
oil-tea camellia seed oil
fatty acid
GC/MS
selected ion monitoring
principal component analysis
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