Resolution of overlapping chromatographic peaks by parameter estimation of their model

Hančil, V.; Komers, R.

doi:10.1016/s0021-9673(00)86375-x

Cited by 12 publications

(5 citation statements)

References 2 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…One particular application for molecular vibration calculations is to predict the most likely geometry of a molecule based on the IR and Raman spectra as described by Jolly (4). Once proficient in predicting the number of unshifted atoms, the student can select the most likely geometry based on group theory calculations and known IR and Raman spectra for a given compound.…”

Section: Discussionmentioning

confidence: 99%

“…For example, when NLR is used to deconvolute overlapped chromatographic peaks an equation containing terms that adequately describe the shape of each individual peak must be used. With the function so selected the P/s can usually be used to construct the individual peaks upon convergence (1)(2)(3)(4)(5)(6)(7)(8).…”

Section: Use Of Nonlinear Regression Analysis In Deconvolutionmentioning

confidence: 99%

“…The second function investigated for use in NLR described the shape of each peak as a simple Gaussian. This peak shape has been used by many workers in deconvolutions of overlapped chromatographic peaks by NLR (3)(4)(5)(6)(7)(8). The Gaussian function described by Westerberg (3) was used and can be written for two overlapped peaks as…”

Section: Nonlinear Regression Analysis Of Datamentioning

confidence: 99%

“…When the Gaussian function (eq 2) is used in NLR, the peak area (A) of a component can be determined fromthe equation (16) A=H( 2tkj2)1/2 (4) where H is the peak height (Pi for n-heptane or P4 for n-octane) and o2 is the variance (P3 for n-heptane or P6 for noctane).…”

Section: Analysis Of the Mixturesmentioning

confidence: 99%

“…An approach that has received considerable attention for gas chromatography and high-performance liquid chromatography involves partial resolution of the components chromatographically followed by completing the deconvolution using nonlinear regression analysis to fit the chromatographic data to an equation that describes the overlapped peaks (1)(2)(3)(4)(5)(6)(7)(8). In many cases, this approach provides an accurate analysis of poorly resolved components without chromatographic optimization, and it can increase sample throughput.…”

mentioning

confidence: 99%

See 4 more Smart Citations

Software-Based Deconvolution of Gas Chromatograms: An Experiment for the Instrumental Analysis Laboratory

Arena¹,

Mazzarella²,

Gluodenis³

1994

J. Chem. Educ.

View full text Add to dashboard Cite

show abstract

Section: Discussionmentioning

confidence: 99%

Section: Use Of Nonlinear Regression Analysis In Deconvolutionmentioning

confidence: 99%

Section: Nonlinear Regression Analysis Of Datamentioning

confidence: 99%

Section: Analysis Of the Mixturesmentioning

confidence: 99%

mentioning

confidence: 99%

See 3 more Smart Citations

Software-Based Deconvolution of Gas Chromatograms: An Experiment for the Instrumental Analysis Laboratory

Arena¹,

Mazzarella²,

Gluodenis³

1994

J. Chem. Educ.

View full text Add to dashboard Cite

show abstract

Chromatographic Chiral Recognition and Computer Aided Deconvolution of the Enantiomeric Secondary Alcohol with a Self‐Packed Chiral Stationary Phase HPLC Column

Cheng

2000

J Chinese Chemical Soc

View full text Add to dashboard Cite

The γ‐aminopropyl‐derivatized silica was treated with the (R)‐(‐)‐N‐(3,5‐dinitrobenzoyl)‐α‐phenylglycine and was packed into a standard 250 mm × 4.5 mm HPLC column to perform the chiral separation of secondary alcohol. Enantiomers of four homologous series of aryl alkyl substituted alcohol were resolved in different degrees. The chiral recognition mechanism was proposed that could be used to rationalize well the elution order and the resolution between the R‐ and S‐configuration of a secondary alcohol. The unresolved peak of the enantiomers of 1‐phenylethanol and the partially resolved peak of the enantiomers of 1‐(1‐naphthyl)ethanol were deconvoluted by the assistance of computer and a program written in BASIC computer language. Two mathematical models were used for the deconvolution and were based on modified Gaussian functions with a fixed baseline that can take into account the skew of a chromatographic peak. Parameters in the mathematical model were estimated by using a nonlinear regression algorithm. The selected mathematical models were suitable for deconvolving the less skewed overlapping peaks of 1‐phenylethanol.

show abstract

A novel approach to the qualitative and quantitative assay of HPTLC plates: Second and fourth derivative recording of spectrophotodensitograms

Traveset

Such

Gonzalo

et al. 1982

J. High Resol. Chromatogr.

View full text Add to dashboard Cite

Key Words:Thin-layer chromatography, HPTLC Qualitative and quantitative analysis Derivative spectra of analytes SummaryOne of the limitations due to lackof resolution for a given pair of analytes in TLC or HPTLC is the need to optimize the system. In practice this requires time, rerunning of the sample in different developing solvents, and a great deal of expertise on the part of the analyst.In our experience, application of first and second derivative recording techniques toHPTLC facilitates and speeds the whole process, permitting qualitative and quantitative assay of most unresolved spots. Consequently, we have now extended our instrumental capabilities to fourth derivative measurements. For this purpose, we have added a homemade electronic unit in series with the one previously used for first and second order derivatives. Thus, we have been able to evaluate the potential advantages of higher order derivatives for HPTLC analysis of unresolved components in various pharmaceutical products. A comparison of second and fourth order derivative measurements of seriously overlapping HWLC components in a sample of preservatives used in the pharmaceutical industry suggests that the lower order derivatives might be a better choice in view of the higher accuracy and precision of the corresponding data. This is supported by the results of other applications, such as the assay of a commercial colorant, and a syrup formulation. The observed lack of precision of fourth order measurements stems from the fact that although the second and higher order derivatives produce narrower bandwidths, thus contributing to improved resolution, the signal to noise ratio decreases and satellite peak interactions increase, thus rendering correct discrimination of the fine structural detail of overlapping components more difficult.

show abstract

Resolution of overlapping chromatographic peaks by parameter estimation of their model

Cited by 12 publications

References 2 publications

Software-Based Deconvolution of Gas Chromatograms: An Experiment for the Instrumental Analysis Laboratory

Software-Based Deconvolution of Gas Chromatograms: An Experiment for the Instrumental Analysis Laboratory

Chromatographic Chiral Recognition and Computer Aided Deconvolution of the Enantiomeric Secondary Alcohol with a Self‐Packed Chiral Stationary Phase HPLC Column

A novel approach to the qualitative and quantitative assay of HPTLC plates: Second and fourth derivative recording of spectrophotodensitograms

Contact Info

Product

Resources

About