基于核磁共振氢谱及偏最小二乘判别分析法的红木快速识别模型的建立与应用
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摘要
以核磁共振技术为基础,采用核磁共振氢谱(1H NMR)对奥氏黄檀、巴里黄檀、交趾黄檀、刺猬紫檀、大果紫檀和檀香紫檀6类国标红木及胶漆树、染料紫檀2类混淆品的甲醇超声提取液进行检测分析,并结合聚类分析法、主成分分析法(PCA)和偏最小二乘判别分析法(PLS-DA)等模式识别方法对其进行快速鉴别。结果显示,利用PLS-DA法建立的模型前3个主成分累积贡献率达79%,能将国标红木与混淆品进行有效区分,且能大致区分不同种类的国标红木。该方法快速、高效,在红木快速鉴别分析中具有较大的潜力。
A rapid method for the identification of sandalwoods was developed based on proton nuclear magnetic resonance(1 H NMR) with pattern recognition such as clustering analysis,principal component analysis( PCA) and partial least squares-discriminant analysis( PLS-DA) to build the models of identification. The samples included 6 species of sandalwood,i. e. Dalbergia oliveri,Dalbergia bariensis,Dalbergia cochinchinensis,Pterocarpus erinaceus,Pterocarpus macrocarpus and Pterocarpus santalinus,and 2 adulterants of sandalwood such as Gluta sp. and Pterocarpus tinctorius. After ultrasonic treatment in MeOD,the extracts were determined by1 H NMR. Results showed that the contribution of first three principal components derived from the PLS-DA model was added up to 79%.Except that group Dalbergia cochinchinensis interacted with group Dalbergia oliveri and group Pterocarpus santalinus,respectively,the other groups could be separated from each other. Obviously,the adulterants could be easily distinguished from the sandalwoods by this method. Therefore,the method was rapid and high sensitive in the distinguishment of adulterants,and showed a great potential in the identification of different species of sandalwood.
A rapid method for the identification of sandalwoods was developed based on proton nuclear magnetic resonance(1 H NMR) with pattern recognition such as clustering analysis,principal component analysis( PCA) and partial least squares-discriminant analysis( PLS-DA) to build the models of identification. The samples included 6 species of sandalwood,i. e. Dalbergia oliveri,Dalbergia bariensis,Dalbergia cochinchinensis,Pterocarpus erinaceus,Pterocarpus macrocarpus and Pterocarpus santalinus,and 2 adulterants of sandalwood such as Gluta sp. and Pterocarpus tinctorius. After ultrasonic treatment in MeOD,the extracts were determined by1 H NMR. Results showed that the contribution of first three principal components derived from the PLS-DA model was added up to 79%.Except that group Dalbergia cochinchinensis interacted with group Dalbergia oliveri and group Pterocarpus santalinus,respectively,the other groups could be separated from each other. Obviously,the adulterants could be easily distinguished from the sandalwoods by this method. Therefore,the method was rapid and high sensitive in the distinguishment of adulterants,and showed a great potential in the identification of different species of sandalwood.
引文
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[3] Zhou X,Sun S D,Luo X,Li J G,Kong Q Y. Forest Eng.(周旭,孙书冬,罗炘,李继光,孔庆媛.森林工程),2013,29(1):26-31,35.
[4] Sun S D,Zhou X,Luo X,Li J G,Wang W F. China Forest Prod. Ind.(孙书冬,周旭,罗炘,李继光,王文峰.林产工业),2012,39(3):50-53.
[5] Deng Y X. Qual. Exp.(邓有香.质量探索),2015,8:48-50.
[6] Zhang F D,Xu C H,Li M Y,Huang A M,Sun S Q. J. Mol. Struture,2014,1069:89-95.
[7] Zhang F D,Xu C H,Sun S Q,Huang A M. Spectrosc. Spectral Anal.(张方达,许长华,孙素琴,黄安民.光谱学与光谱分析),2012,32(10):25-26.
[8] Zhang Z Y,Zhang F D,Huang A M,Sun S Q. Spectrosc. Spectral Anal.(张郅悦,张方达,黄安民,孙素琴.光谱学与光谱分析),2014,34(10):135-136.
[9] Diao S Q,Zhang F D,Huang A M,Sun S Q. Spectrosc. Spectral Anal.(刁士琪,张方达,黄安民,孙素琴.光谱学与光谱分析),2014,34(10):119-120.
[10] Liu S Z,Li Q Y,Lin J G,Wang X X,Wu Q R. J. Northwest Forest Univ.(刘顺治,李清芸,林金国,王晓娴,巫其荣.西北林学院学报),2016,31(2):264-267.
[11] Li Y Y,Sun D Y,Zhu Z L,Sun X M. Comput. Appl. Chem.(李艳艳,孙多永,朱仲良,孙小苗.计算机与应用化学),2010,27(2):237-240.
[12] Mei P,Xia Z P,Zhang Y L,Xu X L. J. Fujian Agric. Forest Univ.:Nat. Sci. Ed.(梅萍,夏兆鹏,张耀丽,许晓琳.福建农林大学学报:自然科学版),2017,46(2):154-158.
[13] Monakhova Y B,Holzgrabe U,Diehl B W K. J. Pharm. Biomed. Anal.,2018,147:580-589.
[14] Habchi B,Alves S,Paris A,Rutledge D N,Rathahao-Paris E. Trends Anal. Chem.,2016,85:128-139.
[15] Kumar N,Bansal A,Sarma G S,Rawal R K. Talanta,2014,123:186-199.
[16] Gupta P,Jain V,Pareek A,Kumari P,Singh R,Agarwal P,Sharma V. J. Tradit. Complem. Med.,2017,(7):307-314.
[17] Liu S Z. Study on Chemical Properties of Six Rosewoods in Dalbergia Genus and Pterocarpus Genus. Fuzhou:Fujian Agri-culture Forestry University(刘顺治.黄檀属和紫檀属6种红木化学特性的研究.福州:福建农林大学),2014.
[18] Liu R H,Lin S,Zhang P Z,Chen L Y,Huang H L,Mei D Y,Hu S J,Shao F. China J. Chin. Mater. Med.(刘荣华,林帅,张普照,陈兰英,黄慧莲,梅丹仪,胡少杰,邵峰.中国中药杂志),2017,42(24):4707-4715.