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CNS stimulants, such as cocaine, amphetamines, and cannabinoids, have varying structures and mechanisms of action that lead to different therapeutic effects and side effects. Cocaine, with its molecular formula C17H21NO4, is a tropane alkaloid and a tertiary amino compound. It has two chemical forms: the hydrochloride salt and the "freebase." The former is in powder form, while the latter involves removing the hydrochloride salt to create a form that can be smoked. Cocaine exerts its...
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The concept of prochirality leads to the nomenclature of the individual faces of a molecule and plays a crucial role in the enantioselective reaction. It is a concept where two or more achiral molecules react to produce chiral products. A typical process is the reaction of an achiral ketone to generate a chiral alcohol. Here, the achiral reactant reacts with an achiral reducing agent, sodium borohydride, to generate an equimolar mixture of the chiral enantiomers of the product. For example, an...
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Drugs can be classified according to their chemical composition or their intended therapeutic application. For instance, anti-infective agents that possess the ability to eliminate pathogens or suppress their growth and reproduction can be grouped based on the organisms they target or their chemical structure. Furthermore, drugs can be divided into prescription, nonprescription, or controlled substances. Prescription medications, such as antibiotics, require oversight from a licensed healthcare...
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The chromatography technique was first invented in 1901 by Michael S. Tswett, a Russian botanist, to separate plant pigments using organic solvents. Further, in 1941, Archer John Porter Martin and R. L. M. Synge modified the technique by packing silica gel into a column. A mixture of amino acids was then separated on the packed column using chloroform and water mixture as the mobile phase. This was the first report on column chromatography. At present, column chromatography is a widely used...
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A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
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Cocaine classification using alkaloid and residual solvent profiling.

Louise Stride Nielsen1, Christian Lindholst2, Palle Villesen3

  • 1Department of Forensic Medicine, Section for Forensic Chemistry, Aarhus University, Palle Juul-Jensens Boulevard 99, 8200 Aarhus N, Denmark; Bioinformatics Research Centre, Aarhus University, C. F. Møllers Allé 8, 8000 Aarhus C, Denmark.

Forensic Science International
|November 19, 2016
PubMed
Summary
This summary is machine-generated.

Combining cocaine alkaloid and residual solvent impurity profiles improves drug seizure analysis. A residual-solvent-weighted model offers superior discrimination power for linking cocaine samples, aiding investigations.

Keywords:
Discriminant analysisGas chromatography–mass spectrometryHeadspace analysisIllicit drugsLink establishmentLogistic regression

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Area of Science:

  • Forensic Chemistry
  • Analytical Chemistry
  • Computational Statistics

Background:

  • Cocaine impurity profiling is crucial for linking drug seizures.
  • Cocaine impurities originate from coca leaf or manufacturing processes, varying in stability and discriminatory power.
  • Effective statistical comparison requires balancing information from different compound groups.

Purpose of the Study:

  • To develop and validate a statistical model for linking cocaine seizures.
  • To compare the discriminatory power of cocaine alkaloid and residual solvent profiles.
  • To establish an optimal method for combining impurity profile data for forensic investigations.

Main Methods:

  • Analysis of cocaine alkaloid and residual solvent profiles using gas chromatography-mass spectrometry (GC-MS) and headspace GC-MS.
  • Application of logistic regression and discriminant analysis for statistical comparison.
  • Evaluation of data transformations and distance metrics, including cross-validation and independent dataset validation.

Main Results:

  • Residual solvent profiles demonstrated significantly higher discrimination power than cocaine alkaloid profiles.
  • A residual-solvent-weighted model, using log10 transformation and cosine distance, outperformed models relying solely on alkaloid data.
  • The developed model effectively combines stable residual solvent data with less stable alkaloid data.

Conclusions:

  • A weighted model integrating residual solvent and alkaloid profiles provides a robust method for cocaine seizure analysis.
  • Residual solvents are highly valuable for distinguishing between linked and unlinked cocaine seizures.
  • This approach offers a simple, implementable solution for forensic investigators and legal proceedings.