一般財団法人材料科学技術振興財団　MST List of Products and Services

Our organization is capable of identifying the composition of petroleum products, evaluating molecular weight distribution, and distinguishing types of oils. Petroleum products such as oils and greases are mixtures of hydrocarbons with various compositions, and GC/MS methods are effective for their qualitative analysis. Here, we present a case study where commercially available oils with different molecular weight distributions were measured using soft ionization methods. Compared to hard ionization methods (EI), soft ionization methods (FI and FD) allow for the detection of molecular ions, making them effective for evaluating the composition of oil components. In particular, the FD method can also be applied to evaluate oils containing high molecular weight components that are difficult to volatilize. [Measurement Method / Processing Method] ■ [GC/MS] Gas Chromatography Mass Spectrometry *For more details, please download the PDF or feel free to contact us.

Our organization conducts NMR chemical shift simulations of organic molecules using quantum chemical calculations. Determining the isomeric structures of organic molecules is a very important issue in fields such as natural product chemistry and drug discovery. Combining the results of nuclear magnetic resonance (NMR) measurements with NMR chemical shift simulation results from quantum chemical calculations is believed to be useful for elucidating the structures and evaluating the properties of novel compounds that lack model compounds for structure-chemical shift correlation. This document presents a case study on the identification of structural isomers of biologically active quinoxaline derivatives. [Measurement Methods and Processing Methods] ■ [NMR] Nuclear Magnetic Resonance Analysis ■ Computational Science, AI, Data Analysis ■ Others *For more details, please download the PDF or feel free to contact us.

Our organization conducts metal analysis in organic materials. Metal components can cause a decrease in insulation properties when they contaminate organic materials, such as in semiconductor devices. Therefore, it is important to understand the amount of metal in organic materials. In this case, we analyzed the metal content in organic materials (polyethylene products, polypropylene products, polyimide films). Organic materials can be acid-digested by irradiating them with microwaves in a sealed state (under high temperature and pressure). [Measurement Method / Processing Method] ■ [ICP-MS] Inductively Coupled Plasma Mass Spectrometry *For more details, please download the PDF or feel free to contact us.

Our organization conducts evaluations of molecular permeability to lipid bilayers using molecular dynamics simulations. The free energy obtained from molecular dynamics calculations is an important value that contributes not only to predicting the stability of the system but also to understanding the material distribution and transport phenomena in systems with spatial and temporal fluctuations. For example, it is effective in gaining insights into the permeability of molecules across biological membranes. Using lipid bilayers in aqueous solvents as an example, we will introduce a case where the permeability of molecules in the membrane was discussed based on the free energy values when benzene and carbon dioxide were transported. [Measurement Methods and Processing Techniques] ■ Computational Science, AI, Data Analysis *For more details, please download the PDF or feel free to contact us.

Our organization conducts calculations of acid dissociation constants (pKa) using quantum chemistry. The acid dissociation constant (pKa) is one of the indicators that quantitatively represents the strength of an acid (the ease of proton dissociation). Knowing the pKa helps in estimating the solubility of compounds in relation to pH, their state, the ease of absorption of pharmaceuticals in the body, and pH buffering effects. Using the acid dissociation energy differences obtained from quantum chemical calculations and experimental pKa values, we create calibration curves for different solvents and functional groups, and present examples of studies investigating the impact of intramolecular hydrogen bonding on pKa. [Measurement Methods and Processing Methods] ■ Computational Science, AI, Data Analysis *For more details, please download the PDF or feel free to contact us.

Our organization conducts evaluations of the hierarchical structure of polymer materials using X-ray diffraction and scattering techniques. It is known that the differences in higher-order structures created by amphiphilic substances affect the moisturizing and permeability properties of skin tissue, making it important to understand these structures in order to evaluate the functionality of the materials. We will introduce examples of evaluating the hierarchical structure of polymers using XRD (X-ray diffraction) for structures on the order of a few nanometers and SAXS (small-angle X-ray scattering) for structures on the order of several tens of nanometers. 【Measurement and Processing Methods】 ■ [XRD] X-ray Diffraction ■ [SAXS] Small-Angle X-ray Scattering *For more details, please download the PDF or feel free to contact us.