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Related Concept Videos

Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

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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...
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Applications of IR Spectroscopy: Overview01:11

Applications of IR Spectroscopy: Overview

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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,...
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IR Spectrum01:19

IR Spectrum

1.1K
When infrared (IR) radiation passes through a molecule, the bonds stretch or bend by absorbing the radiation. This absorption creates the molecule's absorption spectrum, which is the plot of its percentage transmittance versus wavenumber.
Transmittance is defined as the ratio of the radiant power passing through a sample to that from the radiation's source. Multiplying the transmittance by 100 gives the percent transmittance (%T), which varies between 100% (no absorption) and 0%...
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IR Spectrometers01:25

IR Spectrometers

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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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IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

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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...
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Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview01:13

Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview

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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...
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Infrared (IR) spectroscopy offers unique molecular fingerprints for biomedical analysis. Advanced artificial intelligence (AI) algorithms are crucial for overcoming spectral interferences and extracting meaningful biological and chemical information.

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Area of Science:

  • Biomedical analysis
  • Spectroscopy
  • Artificial Intelligence

Background:

  • Infrared (IR) spectroscopy measures molecular vibrational states, providing unique spectral fingerprints for sample analysis.
  • IR spectroscopy is widely used in biology, chemistry, and medicine for applications like microorganism identification and clinical diagnosis.
  • Interfering factors such as scattering and baseline shifts complicate direct spectral interpretation using the Beer-Lambert law.

Purpose of the Study:

  • To review recent advancements in spectral pre-processing and data modeling for IR spectroscopy.
  • To discuss the application of artificial intelligence (AI), including classical machine learning and deep learning, in analyzing complex IR spectra.
  • To highlight methods for overcoming spectral interferences and extracting high-level biological/chemical information from IR data.

Main Methods:

  • Review of classical machine learning techniques for spectral pre-processing and data modeling.
  • Exploration of deep learning approaches for analyzing IR spectral data.
  • Discussion of methods to mitigate interference effects like scattering and baseline distortion.

Main Results:

  • AI-based algorithms are essential for accurate interpretation of IR spectra affected by interferences.
  • Advanced data analysis techniques enable the translation of spectral signals into actionable biological and chemical insights.
  • Both classical machine learning and deep learning show promise in enhancing IR spectral analysis.

Conclusions:

  • IR spectroscopy is a powerful tool for biomedical analysis, but requires sophisticated data processing.
  • Artificial intelligence is key to unlocking the full potential of IR spectroscopy by addressing spectral interferences.
  • Future research should focus on developing and refining AI-driven methods for spectral pre-processing and data modeling.