Abstract
BackgroundElemental Analysis (microanalysis) is a reference method widely used to make assessments of thequality of chemical or biochemical substances. Using very small quantities of substance and no methoddevelopment, this analytical technique delivers absolute assays. Compared to other methods needing larger samplequantities and most of the time reference standards, the Elemental Analysis is the preferred technique of scientists.MethodsOne of the difficulties with this method is the definition of the theoretical elemental composition when several complementary assays values, generally delivered in w/w percentages (e.g., water content by Karl Fischer method), instead of mole numbers (as this is the case for NMR determination), must be taken into account. The situation is manageable with only one of this type of additional assay; however, this exercise becomes more complicated when the scientists must integrate two or more assay values. Mat-CHN software was developed specifically to resolve these difficulties, by delivering the individual mole numberof each constituent assayed in the compound analyzed, leading to an accurate comparison of the theoretical and experimental results of centesimal compositions.ResultsApart its large capabilities for simulations, Mat-CHN increases the interest of the Elemental Analysis technique for scientists working in discovery fields or when new molecular entities are promoted to pre-development and development stages, either for absolute titration of their reference standards or for direct titrations of the drug substance itself. The software conducts to simple titration determinations, based on Nitrogen “Kjeldhal” assays and/or molecular weight reports, compared to data of the pure substance.ConclusionsBased on experimental analytical data, Mat-CHN software delivers accurate elemental content determinations and titration of the substance analyzed. These results should be considered also experimental ones, because Mat-CHN resolves the equations without any convergence or external parameters.
Highlights
IntroductionElemental Analysis (microanalysis) is a reference method widely used to make assessments of thequality of chemical or biochemical substances
Elemental Analysis is a reference method widely used to make assessments of thequality of chemical or biochemical substances
Microanalysis capabilities–experimental and theoretical centesimal composition Elemental Analysis equipment are able today to provide the assays of carbon (%C), hydrogen (%H), nitrogen (%N), sulfur (%S), and oxygen (%O), with a high degree of precision for known and, most important, for unknown products (Rouessac and Rouessac 2007)
Summary
Elemental Analysis (microanalysis) is a reference method widely used to make assessments of thequality of chemical or biochemical substances. Using very small quantities of substance and no methoddevelopment, this analytical technique delivers absolute assays. Compared to other methods needing larger samplequantities and most of the time reference standards, the Elemental Analysis is the preferred technique of scientists. Information: raw formulas presented as examples in this document may correspond to some molecules described in other papers. If this situation should occur, it shall be considered as an absolute involuntary error from my part. It must be emphasized that these results of centesimal composition are obtained with a very limited quantity of sample, generally around 1 mg and can be delivered with a medium throughput
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