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Related Concept Videos

Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to the...
Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview01:13

Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview

Attenuated total reflectance (ATR) infrared spectroscopy is a powerful analytical technique used to study the composition of materials. It is widely employed in chemistry, materials science, forensic science, and other fields where sample characterization is required. ATR has several advantages over traditional transmission IR spectroscopy, including the requirement of little to no sample preparation and the ability to analyze a wide range of samples.
The ATR process begins by directing a beam...
Applications of IR Spectroscopy: Overview01:11

Applications of IR Spectroscopy: Overview

The non-destructive nature and ability to provide valuable chemical information make IR spectroscopy a versatile technique with broad applications in various scientific and industrial fields. IR spectroscopy is commonly used to identify and characterize organic and inorganic compounds. It provides information about the functional groups present in a molecule and the bonding between atoms. This helps in the structural elucidation of compounds during organic synthesis, pharmaceutical research,...
IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
IR Spectrometers01:25

IR Spectrometers

There are two main infrared (IR) spectrophotometers: dispersive IR spectrometers and Fourier transform infrared (FTIR) spectrometers. In a dispersive IR spectrometer, a beam of infrared radiation produced by a hot wire is divided into two parallel equal-intensity beams using mirrors. One beam passes through the sample, while another is a reference beam. The beams then move through the monochromator, which separates the radiations into a continuous spectrum of different frequencies. The...

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Related Experiment Video

Updated: May 28, 2026

O-cresol Concentration Online Measurement Based On Near Infrared Spectroscopy Via Partial Least Square Regression
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O-cresol Concentration Online Measurement Based On Near Infrared Spectroscopy Via Partial Least Square Regression

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[Near-infrared spectroscopy quantitative analysis model based on inverse regression].

Xu-Hua Liu1, Shun-Geng Min, Xiong-Kui He

  • 1College of Science, China Agricultural University, Beijing 100193, China. liuxuhua@cau.edu.cn

Guang Pu Xue Yu Guang Pu Fen Xi = Guang Pu
|October 20, 2011
PubMed
Summary

A new inverse regression method enhances near-infrared (NIR) spectroscopy for corn protein analysis. This chemometrics approach offers improved accuracy and reduced error compared to traditional methods.

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Published on: November 8, 2019

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements
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Area of Science:

  • Chemometrics
  • Spectroscopy
  • Analytical Chemistry

Context:

  • Quantitative analysis of agricultural products like corn is crucial for quality control.
  • Near-infrared (NIR) spectroscopy offers a rapid, non-destructive method for chemical analysis.
  • Dimensionality reduction is a common challenge in spectroscopic data analysis.

Purpose:

  • To introduce and evaluate an inverse regression method for dimensionality reduction in NIR spectroscopy.
  • To assess the performance of this new method for predicting protein content in corn samples.
  • To compare the inverse regression method with partial least squares regression (PLSR) for NIR analysis.

Summary:

  • An inverse regression technique was applied to NIR spectroscopic data of 103 corn samples to reduce predictor dimensions.
  • A predictive model was established using 70 samples and validated on 33 samples, achieving a coefficient of 0.986 and an average relative error of 2.1% for protein content.
  • This method demonstrated superior performance over PLSR, which yielded a coefficient of 0.978 and an average relative error of 2.5%.

Impact:

  • The inverse regression method proves feasible and effective for quantitative analysis in NIR spectroscopy.
  • This study offers a novel approach for chemometrics quantitative analysis, particularly for agricultural applications.
  • The findings suggest potential for broader application in analyzing complex chemical matrices using spectroscopic data.