Emerging spectroscopic technologies combined with chemometrics are commonly being applied in areas like pharmaceutics, traditional medicine, phytotherapy, and nutraceuticals. Applying the analytical tools in an integrated research approach is most promising.

Infrared spectroscopy, including near-infrared (NIR) and mid-infrared (MIR), is an example of a green, fast, and environmentally-friendly technique. It is considered as an innovative and rapid analytical method for “fingerprinting” of organic compounds.

Over the past few decades, the application of this technique has opened up for new directions in analytical science and technology. Its use in combination with chemometrics led to new approaches in quality control and assurance, safety, and traceability as well as tackling challenges for analyzing innovative and established model systems in their totality.

This special issue aims at providing an overview of the latest developments in the field of mid- and near-infrared spectroscopy using ATR and transmission modes. Papers on applications in the design and development of new drugs, dietary supplements, botanicals, and nutraceuticals as well as in process development for production and quality assurance and in potential uses for labelling are welcome.

Potential topics include but are not limited to the following:

• Chemistry, manufacturing, the quality assessment, and controls of drugs/dietary supplements/botanicals/nutraceuticals
• Authentication, classification, and discrimination applications
• Monitoring contaminants and adulterants
• Process Analytical Technology (PAT)
• Formulation and profile release
• Quantitation of ingredients in complex matrix formulations
• Rapid screening and identification of seized products, impurity profiling
• Transition of chemical composition from botanical ingredients to resulting products
• Identification and study of chemical constituents and bioactive components from food matrices and waste, towards the nutraceuticals
• Optimization methods, regression methodology, and multivariate analysis
• Development of new markers