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Related Concept Videos

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...
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...
Raman Spectroscopy Instrumentation: Overview01:26

Raman Spectroscopy Instrumentation: Overview

A conventional Raman spectrophotometer includes a laser source, a sample holding system, a wavelength selector, and a detector.
The monochromatic laser source, typically using visible or near-infrared radiation, generates a highly focused beam of light. This light interacts with the molecules of the sample, scattering some of the light. Liquid and gaseous samples are usually tested in ordinary glass capillaries, while solids can be analyzed as powders packed in capillaries or as potassium...
UV–Vis Spectroscopy: Woodward–Fieser Rules01:29

UV–Vis Spectroscopy: Woodward–Fieser Rules

UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given structure by adding the contributions...
Raman Spectroscopy: Overview01:20

Raman Spectroscopy: Overview

The underlying principle of Raman spectroscopy is based on the interaction between light and matter, specifically molecules' inelastic scattering of photons. When a monochromatic beam of light, typically from a laser source, interacts with a sample, most scattered light has the same frequency as the incident light. This is known as Rayleigh scattering.
However, a small fraction of the scattered light exhibits a frequency shift due to the exchange of energy between the incident photons and the...
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this process,...

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Related Experiment Video

Updated: Jun 6, 2026

O-cresol Concentration Online Measurement Based On Near Infrared Spectroscopy Via Partial Least Square Regression
06:50

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

Published on: November 8, 2019

Note: Multivariate system spectroscopic model using Lorentz oscillators and partial least squares regression

R S Gad1, J S Parab, G M Naik

  • 1Department of Physics, Electronic Section, Goa University, Goa 403206, India. rsgad@unigoa.ac.in

The Review of Scientific Instruments
|December 8, 2010
PubMed
Summary
This summary is machine-generated.

This study introduces a spectroscopic modeling approach using Lorentz oscillators for chemometric analysis. The model accurately analyzes biological systems like human blood, showing potential for proteomics pathway research.

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Last Updated: Jun 6, 2026

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

  • Chemometrics
  • Spectroscopic Modeling
  • Biophysical Chemistry

Background:

  • Multivariate system spectroscopic models are crucial for understanding chemometrics.
  • Developing accurate models for complex biological systems remains a challenge.

Purpose of the Study:

  • To present a novel spectroscopic system modeling approach.
  • To demonstrate the utility of the Lorentz oscillator model for general spectroscopic systems.
  • To validate the model's performance on a biological system relevant to human blood.

Main Methods:

  • Developed a multivariate spectroscopic model utilizing Lorentz oscillators.
  • Designed customized templates for biological constituents (alanine, urea, lactate, glucose, ascorbate).
  • Validated the model using root mean square error (RMSE) analysis, error grid plots, and noise level studies across various template sizes (10-1000 samples).

Main Results:

  • The Lorentz oscillator model successfully modeled the spectroscopic system of human blood constituents.
  • Validation confirmed the model's accuracy within a ±5% confidence interval.
  • Partial least squares regression validity was confirmed across diverse template sizes.

Conclusions:

  • The proposed spectroscopic modeling approach, using Lorentz oscillators, is effective for chemometric analysis of biological systems.
  • The model shows significant potential for advancing the understanding of proteomics pathways.
  • The methodology provides a robust framework for analyzing complex chemical ensembles.