Abstract：
:In order to facilitate correlation calculation and matrix-based resolution in comprehensive two-dimensional gas chromatography - mass spectrometry (GC × GC-MS) data-set, an intelligent clustering of modulation peaks (ICMP) algorithm was developed in this paper. ICMP is start with the second -dimension (2D) peak restriction, then conducting the peak shape restriction in the first dimension (1D), finally end with the eigenvalues calculation against mass spectra in moving sub-windows. After this three-tier restriction, multi-component spectral correlative chromatography (MSCC) was applied in peak clustering result from a row-wise augmented "two-dimension (2D) slice" set. Then the component similarities and differences were distinguished rapidly/ accurately in chemical fingerprints from ChaiHu Shugan San and Cyperus rotundus. Faced with co-eluted phenomenon, matrix-based resolution was made in the representative sub-matrices that have been locked in ICMP procedure. From the example data shows that ICMP- multivariate curve resolution (MCR) can served as a good complement to (non) trilinear decomposition. To summarize, the GC × GC data-structure can be simplified to facilitate MSCC or MCR operation in fingerprints from herbal or biological samples.
journal_name
J Pharm Biomed Analjournal_title
Journal of pharmaceutical and biomedical analysisauthors
He M,Zeng J,Peng G,Zhou Y,Cao Wdoi
10.1016/j.jpba.2020.113800subject
Has Abstractpub_date
2021-02-05 00:00:00pages
113800eissn
0731-7085issn
1873-264Xpii
S0731-7085(20)31686-1journal_volume
194pub_type
杂志文章abstract：:Five tricyclic antidepressants (TADs), desipramyne, nortriptyline, imipramine, doxepin and amitriptyline, were separated by using the N,N,N',N'-tetramethyl-1,3-butanediamine (TMBD) as additive in the background electrolyte solution. Because the tricyclic antidepressants are similar in structure, mass and pka values, t...
journal_title：Journal of pharmaceutical and biomedical analysis
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doi：10.1016/s0731-7085(02)00319-9
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abstract：:Gas chromatography-mass spectrometry (GC-MS) and high performance liquid chromatography (HPLC) offer highly efficient and potentially sensitive separation and detection techniques. This work describes the quantification of aminoglutethimide (AG) in nanocapsules suspension with both techniques. The analysis of differen...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2004.02.030
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journal_title：Journal of pharmaceutical and biomedical analysis
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doi：10.1016/j.jpba.2008.04.012
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journal_title：Journal of pharmaceutical and biomedical analysis
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doi：10.1016/j.jpba.2016.08.027
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/s0731-7085(97)00251-3
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abstract：:An HPLC-MS/MS method was validated for the determination of the plant lignans 7-hydroxymatairesinol (HMR), matairesinol (Mat), secoisolariciresinol (Seco), lariciresinol (Lar), and cyclolariciresinol (CLar) and for the enterolignans 7-hydroxyenterolactone (HEL), enterodiol (ED), and enterolactone (EL) in human serum. ...
journal_title：Journal of pharmaceutical and biomedical analysis
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doi：10.1016/j.jpba.2005.12.036
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2007.01.036
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abstract：:A method based on capillary electrophoresis with electrochemical detection has been developed for the separation and determination of paeoniflorin, sucrose, paeonoside, glucose, and fructose in Moutan Cortex for the first time. Effects of several important factors such as the concentration of NaOH, separation voltage,...
journal_title：Journal of pharmaceutical and biomedical analysis
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doi：10.1016/j.jpba.2005.11.001
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journal_title：Journal of pharmaceutical and biomedical analysis
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doi：10.1016/s0731-7085(01)00491-5
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/s0731-7085(98)00214-3
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abstract：:An UPLC-MS/MS method for the quantification of indirubin in lithium heparinized rat plasma was developed and validated according to current international guidelines. Indirubin was extracted from rat plasma by using Waters Ostro™ pass-through sample preparation plates. The method was validated with a LLOQ of 5.00ng/mL ...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2016.05.018
更新日期：2016-09-05 00:00:00
abstract：:Remifentanil (GI87084) is a phenylaminopiperidine derivative of the fentanyl type with a potent analgesic activity and ultra-short half-life. The N-substituted labile methyl propanoate ester group is highly susceptible to cleavage by endogenous esterases and by chemical hydrolysis. The hydrolysis is stopped by additio...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/0731-7085(94)90035-3
更新日期：1994-02-01 00:00:00
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/s0731-7085(03)00167-5
更新日期：2003-08-08 00:00:00
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2019.07.016
更新日期：2019-10-25 00:00:00
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/s0731-7085(96)01860-2
更新日期：1996-12-01 00:00:00
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2004.06.031
更新日期：2005-04-29 00:00:00
abstract：:A sensitive reverse phase high performance liquid chromatography-electrospray ionization-mass spectrometry (RP-HPLC-ESI-MS) method has been developed and validated for the determination of hydromorphone in human plasma using naloxone as the internal standard (IS). After alkalization with saturated sodium bicarbonate, ...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2011.11.012
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2004.11.004
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
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journal_title：Journal of pharmaceutical and biomedical analysis
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
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abstract：:A rapid and simple reversed-phase high performance liquid chromatography (HPLC) method for the quantitation of colistimethate sodium in pharmaceutical formulations has been developed. The chromatographic separation was performed using a Phenomenex Kinetex XB-C18 column with gradient elution using a mobile phase contai...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/0731-7085(91)80051-a
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/s0731-7085(01)00471-x
更新日期：2001-12-01 00:00:00
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/s0731-7085(96)01927-9
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journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/0731-7085(95)01608-2
更新日期：1995-12-01 00:00:00
abstract：:A simple and sensitive liquid chromatography/tandem mass spectrometry method was developed and validated for the quantification of rosuvastatin in human plasma. After being treated with acetic acid and tetrabutyl ammonium hydroxide, the analyte was extracted by simple one-step liquid-liquid extraction with the interna...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2006.12.022
更新日期：2007-06-28 00:00:00
abstract：:A systematic method in hydrophilic interaction chromatography (HILIC) was developed for the separation of four monophosphate nucleotides using design of experiment (DOE) approaches. Three HPLC parameters, the buffer concentration (ammonium acetate concentration), gradient time, and temperature, were evaluated within t...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2018.05.014
更新日期：2018-09-05 00:00:00
abstract：:A new method for the determination of 2-[(dimethylamino)methyl]cyclohexanone (DAMC) in Tramadol (as active substance or active ingredient in pharmaceutical formulations) is described. The method is based on the derivatisation of 2-[(dimethylamino)methyl]cyclohexanone with 2,4-dinitrophenylhydrazine (2,4-DNPH) in acidi...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.japna.2003.07.003
更新日期：2004-01-27 00:00:00
abstract：:The objective of the present study was to develop and validate a dissolution test for lopinavir soft gel capsules (Kaletra), using a simulated absorption profile based on in vivo data. Different conditions such as surfactant concentration, apparatus and rotation speed were evaluated. In vivo release profiles were obta...
journal_title：Journal of pharmaceutical and biomedical analysis
pub_type： 杂志文章
doi：10.1016/j.jpba.2008.02.014
更新日期：2008-07-15 00:00:00
