PMID- 19071794
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20121002
LR  - 20081216
IS  - 1873-3573 (Electronic)
IS  - 0039-9140 (Linking)
VI  - 72
IP  - 4
DP  - 2007 Jun 15
TI  - Application of high performance liquid chromatography for the profiling of 
      complex chemical mixtures with the aid of chemometrics.
PG  - 1533-9
LID - 10.1016/j.talanta.2007.02.003 [doi]
AB  - In this paper, chemometrics methods were applied to resolve the high performance 
      liquid chromatography (HPLC) fingerprints of complex, many-component substances 
      to compare samples from a batch from a given manufacturer, or from those of 
      different producers. As an example of such complex substances, we used a common 
      Chinese traditional medicine, Huoxiang Zhengqi Tincture (HZT) for this research. 
      Twenty-one samples, each representing a separate HZT production batch from one of 
      three manufacturers were analyzed by HPLC with the aid of a diode array detector 
      (DAD). An Agilent Zorbax Eclipse XDB-C18 column with an Agilent Zorbax high 
      pressure reliance cartridge guard-column were used. The mobile phase consisted of 
      water (A) and methanol (B) with a gradient program of 25-65% (v/v, B) during 
      0-30min, 65-55% (v/v, B) during 30-35min and 55-100% (v/v, B) during 35-60min 
      (flow rate, 1.0mlmin(-1); injection volume, 20mul; and column 
      temperature-ambient). The detection wavelength was adjusted for maximum 
      sensitivity at different time periods. A peak area matrix with 21objectsx14HPLC 
      variables was obtained by sampling each chromatogram at 14 common retention 
      times. Similarities were then calculated to discriminate the batch-to-batch 
      samples and also, a more informative multi-criteria decision making methodology 
      (MCDM), PROMETHEE and GAIA, was applied to obtain more information from the 
      chromatograms in order to rank and compare the complex HZT profiles. The results 
      showed that with the MCDM analysis, it was possible to match and discriminate 
      correctly the batch samples from the three different manufacturers. Fourier 
      transform infrared (FT-IR) spectra taken from samples from several batches were 
      compared by the common similarity method with the HPLC results. It was found that 
      the FT-IR spectra did not discriminate the samples from the different batches.
FAU - Ni, Yongnian
AU  - Ni Y
AD  - Department of Chemistry, Nanchang University, Nanchang 330047, China; The Key 
      Laboratory of Food Sciences of MOE of Nanchang University, Nanchang 330047, 
      China.
FAU - Zhang, Liangsheng
AU  - Zhang L
FAU - Churchill, Jane
AU  - Churchill J
FAU - Kokot, Serge
AU  - Kokot S
LA  - eng
PT  - Journal Article
DEP - 20070211
PL  - Netherlands
TA  - Talanta
JT  - Talanta
JID - 2984816R
EDAT- 2007/06/15 00:00
MHDA- 2007/06/15 00:01
CRDT- 2008/12/17 09:00
PHST- 2006/10/01 00:00 [received]
PHST- 2007/02/02 00:00 [revised]
PHST- 2007/02/03 00:00 [accepted]
PHST- 2008/12/17 09:00 [entrez]
PHST- 2007/06/15 00:00 [pubmed]
PHST- 2007/06/15 00:01 [medline]
AID - S0039-9140(07)00124-5 [pii]
AID - 10.1016/j.talanta.2007.02.003 [doi]
PST - ppublish
SO  - Talanta. 2007 Jun 15;72(4):1533-9. doi: 10.1016/j.talanta.2007.02.003. Epub 2007 
      Feb 11.