A group led by Yasushi Honda, Senior Expert in Computational Chemistry at HPC SYSTEMS Inc., and Associate Professor Masaki Honda from the Graduate School of Science and Engineering/Disease Prevention and Food Science Research Center at Meijo University, has developed a highly precise technology for the analysis of cis-carotenoids [1] using quantum chemical calculation [2]. Cis-carotenoids, which are difficult to obtain as standard substances [3] and challenging for both qualitative and quantitative analysis [4], were the focus of this study. The findings were published on October 19, 2024, in the international journal Biochemical and Biophysical Research Communications by Elsevier.

Table of contents

1.Points of This Article

  • Proposed a new methodology involving correction using quantum chemistry simulation to enhance the precision and efficiency of quantitative analysis for cis-carotenoids, the rare component with potential health benefits surpassing the main component of carotenoids [5] (trans-type carotenoids [6]).
  • Achieved significant time reduction in quantitative analysis of cis-carotenoids—from several months to under 30 minutes—with the developed method.
  • Validated the method using lycopene, β-carotene, and astaxanthin, achieving an accuracy of approximately 2% average error, demonstrating high reliability (Figure 1).
  • This method is expected to improve the analytical precision of compounds for which obtaining standard substances is challenging. In particular, this technology has the potential to impact the nutritional labeling of functional foods and can be applied to a wide range of fields, including pharmaceuticals and cosmetics, promising a significant impact on the industry.

Figure 1Comparison of Experimental and Calculated HPLC [7] Intensity Correction Factors

2.Keywords

[1] Standard Substance

A reference substance used in compound analysis. Quantification of a substance is conducted by comparing its analytical sensitivity to that of the standard substance. It must have a known composition (purity) and be chemically stable. For carotenoids, trans-type carotenoids are typically used.

[2] Quantitative Analysis

A general term for analytical methods aimed at determining the amount of a component in a sample. For carotenoid isomers, quantification is typically performed using an HPLC measurement method with a UV-visible absorption detector.

[3] Cis-Type Carotenoids

Carotenoids in which one or more double bonds in the molecular chain are in the cis configuration. Although the detailed mechanism is unknown, certain carotenoids (e.g., lycopene and astaxanthin) are found to predominantly exist as cis-type in the human body, even when consumed as trans-type. Recent studies have shown that cis-type carotenoids have higher bioavailability and some physiological activities (e.g., anti-aging, anti-inflammatory effects, and skin improvement) compared to trans-types. Additionally, cis-type carotenoids have low crystallinity and higher solubility in oils, making them more suitable for processing than trans-types. However, a major issue is that cis-types easily convert to trans-types under everyday light sources such as sunlight and fluorescent lighting.

[4] Quantum Chemical Calculation

The computational method based on the principles of quantum chemistry to solve the Schrödinger equation, which accurately describes the behavior of atoms and molecules. While time-intensive for large molecules, it offers high precision in results.

[5] Carotenoids

Fat-soluble pigments in vegetables and fruits with strong antioxidant properties. They help prevent age-related diseases, improve cognitive functions, and enhance skin quality, driving demand in the food and cosmetics industries.

[6] Trans-Type Carotenoids

Carotenoids in which all double bonds in the molecular chain are in the trans configuration. In nature, trans-types are generally dominant. They have high crystallinity and extremely low solubility in oils and fats. These physical properties result in poor bioavailability and inefficient processing (e.g., extraction, emulsification, and powderization).

[7] HPLC (High-Performance Liquid Chromatography)

A method or device that separates mixed samples into pure substances and analyzes the content of each substance by utilizing differences in their movement speeds in a liquid medium. HPLC is used for both qualitative analysis (to identify the substances in a sample) and quantitative analysis (to determine the amount of each substance). In qualitative analysis, the HPLC peak position varies depending on the type of pure substance. In quantitative analysis, the substance's content is proportional to the intensity of its HPLC peak.


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Last Update

First released on Dec.13, 2024