title: [Determination of Chloride Salt Solution by NIR Spectroscopy].
abstract: Determination of chloride salt solution by near infrared spectrum plays a very important role in Biomedicine. The near infrared spectrum analysis of Sodium chloride, potassium chloride, calcium chloride aqueous solution shows that the concentration change of chloride salt can affect hydrogen bond, resulting in the variation of near infrared spectrum of water. The temperature influence on NIR spectrum has been decreased by choosing reasonable wavelength range and the wavelength where the temperature effects are zero (isosbestic point). Chlorine salt prediction model was established based on partial least squares method and used for predicting the concentration of the chlorine ion. The impact on near infrared spectrum of the cation ionic radius, the number of ionic charge, the complex effect of ionic in water has also discussed in this article and the reason of every factor are analysed. Experimental results show that the temperature and concentration will affect the near-infrared spectrum of the solution, It is found that the effect of temperature plays the dominant role at low concentrations of chlorine salt; rather, the ionic dominates at high concentration. Chloride complexes are formed in aqueous solution, It has an effect on hydrogen bond of water combining with the cations in chlorine salt solution, Comparing different chloride solutions at the same concentration, the destruction effects of chloride complexes and catnions on the hydrogen bond of water increases in the sequences: CaCl2 >NaCl>KC. The modeling result shows that the determination coefficients (R2) = 99.97%, the root mean square error of cross validation (RM- SECV) = 4.51, and the residual prediction deviation (RPD) = 62.7, it meets the daily requirements of biochemical detection accuracy.
authors.forename: Bin
authors.initials: B
authors.lastname: Zhang
authors.forename: Jian-hong
authors.initials: JH
authors.lastname: Chen
authors.forename: Ming-xing
authors.initials: MX
authors.lastname: Jiao
mesh_terms: D006860:Hydrogen Bonding; D007477:Ions; D016018:Least-Squares Analysis; D008956:Models, Chemical; D019999:Pharmaceutical Solutions / Q000737:chemistry*; D012965:Sodium Chloride / Q000032:analysis*; D012996:Solutions; D019265:Spectroscopy, Near-Infrared; D013696:Temperature; D014867:Water
chemical_list: D007477:Ions; D019999:Pharmaceutical Solutions; D012996:Solutions; D014867:Water; D012965:Sodium Chloride