Related Experiment Video
Updated: May 7, 2026
09:32
Resolving Water, Proteins, and Lipids from In Vivo Confocal Raman Spectra of Stratum Corneum through a Chemometric Approach
Published on: September 26, 2019
Resolution of five-component mixture using mean centering ratio and inverse least squares chemometrics
Mahmoud Mohamed Issa1, R'afat Mahmoud Nejem, Alaa Mohamed Abu Shanab
1Analytical Chemistry, Department of Chemistry, Alaqsa University, P,O,Box 4051, Gaza, Palestine. rafat_nejem@yahoo.com.
Chemistry Central Journal
|September 14, 2013
Summary
This study compares two chemometric methods, mean centering of ratio spectra and inverse least squares, for simultaneously determining five pharmaceutical compounds. Both methods demonstrated high accuracy and efficiency in analyzing complex mixtures like Decamol Flu syrup.
Area of Science:
- Analytical Chemistry
- Chemometrics
- Pharmaceutical Analysis
Background:
- Simultaneous determination of multiple pharmaceutical compounds presents analytical challenges.
- Existing methods may lack the resolution required for complex mixtures.
- Chemometric techniques offer advanced solutions for resolving overlapping spectra.
Purpose of the Study:
- To compare the efficacy of mean centering of ratio spectra and inverse least squares for simultaneous analysis.
- To validate these methods for quantifying five specific pharmaceutical compounds.
- To assess their applicability in analyzing a real-world pharmaceutical product.
Main Methods:
- Method I: Mean centering of ratio spectra involving four steps to enhance signal-to-noise ratio.
- Method II: Inverse least squares utilizing an updated multivariate calibration model.
- Spectrophotometric analysis of prepared mixtures within specific UV-Vis ranges (220-280 nm and 230-270 nm).
Main Results:
- Both methods achieved high mean recoveries (99.9-101.3%) across various linear concentration ranges.
- Successful prediction of a five-component mixture in Decamol Flu syrup was demonstrated.
- The methods exhibited good selectivity, high sensitivity, and extremely low detection limits.
Conclusions:
- No prior methods exist for the simultaneous determination of this specific five-component mixture.
- The mean centering of ratio spectra and inverse least squares methods are comparable in performance.
- Statistical analysis (t-test and F-ratio) showed no significant difference between the two methods.
Related Concept Videos
02:30Racemic Mixtures and the Resolution of Enantiomers
A racemic mixture, or racemate, is an equimolar mixture of enantiomers of a molecule that can be separated using their unique interaction with chiral molecules or media. Racemic mixtures are denoted by the (±)- prefix. This ‘optical rotation descriptor’ applies to the whole solution of a racemic mixture rather than a specific stereoisomer. Enantiomers typically have the same physical and chemical properties. Hence, they are not easily separable. However, enantiomers can exhibit different...
01:15High-Resolution Mass Spectrometry (HRMS)
The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For example, the mass of helium...
01:15Chromatographic Resolution
In chromatography, a solute moves through a chromatographic column and tends to spread, forming a Gaussian-shaped band. The longer the solute spends in the column, the broader the band becomes. The broadening can lead to overlaps within the column, affecting separation effectiveness.
The effectiveness of separation can be evaluated by determining the level of separation between two neighboring peaks in a chromatogram, which represents the individual components of a sample.
In chromatography,...
The effectiveness of separation can be evaluated by determining the level of separation between two neighboring peaks in a chromatogram, which represents the individual components of a sample.
In chromatography,...
00:58¹H NMR Signal Integration: Overview
The intensity of a signal, which can be represented by the area under the peak, depends on the number of protons contributing to that signal. The area under each peak is shown as a vertical line called an integral, with the integral value listed under it, as seen in the proton NMR spectrum of benzyl acetate. Each integral value is divided by the smallest integral value to obtain the ratio of the number of protons producing each signal. The ratio reveals the relative number of protons and not...
01:21Mass Spectrometry: Complex Analysis
Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
01:01Classification of Titrimetric Analysis Based on Reaction Types
Titrimetric analysis in solution chemistry involves measuring the volume of solutions and is often called volumetric analysis. The standard solution of known concentration in the burette is called the titrant, whereas the solution of unknown concentration in the flask is called the analyte, or titrand. Titrimetric analyses can be classified into four types based on the reactions between the titrant and analyte.
Titrations between an acid and a base lead to neutralization reactions that form...
Titrations between an acid and a base lead to neutralization reactions that form...