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¹H NMR Signal Integration: Overview00:58

¹H NMR Signal Integration: Overview

1.7K
The intensity of a signal, which can be represented by the area under the peak, depends on the number of protons contributing to that signal. The area under each peak is shown as a vertical line called an integral, with the integral value listed under it, as seen in the proton NMR spectrum of benzyl acetate. Each integral value is divided by the smallest integral value to obtain the ratio of the number of protons producing each signal. The ratio reveals the relative number of protons and not...
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Applications of IR Spectroscopy: Overview01:11

Applications of IR Spectroscopy: Overview

1.0K
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 Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

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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...
1.6K
NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

4.9K
Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range.
4.9K
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...
2.2K
IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

2.7K
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...
2.7K

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Related Experiment Video

Updated: Sep 1, 2025

O-cresol Concentration Online Measurement Based On Near Infrared Spectroscopy Via Partial Least Square Regression
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Determination of Bio-Based Fertilizer Composition Using Combined NIR and MIR Spectroscopy: A Model Averaging

Khan Wali1, Haris Ahmad Khan1, Mark Farrell2

  • 1Farm Technology Group, Wageningen University & Research, 6708 PB Wageningen, The Netherlands.

Sensors (Basel, Switzerland)
|August 12, 2022
PubMed
Summary

Bio-based fertilizers improve soil quality, but their composition must be known. Combining near-infrared (NIR) and mid-infrared (MIR) spectroscopy effectively quantifies 21 properties, enhancing fertilizer application accuracy.

Keywords:
Near-infrared (NIR) and Mid-infrared (MIR) spectroscopybio-based fertilizersmodel averagingpartial least square regressionwavelength selection

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Area of Science:

  • Agricultural Science
  • Analytical Chemistry
  • Spectroscopy

Background:

  • Bio-based fertilizers are crucial for enhancing soil fertility and quality.
  • Accurate quantification of bio-based fertilizer composition is essential before soil application.
  • Non-destructive techniques like near-infrared (NIR) and mid-infrared (MIR) spectroscopy offer rapid and cost-effective analysis.

Purpose of the Study:

  • To investigate the potential of NIR and MIR spectroscopy for characterizing bio-based fertilizers.
  • To quantify 25 different properties, including nutrients, minerals, heavy metals, pH, and electrical conductivity (EC).
  • To evaluate the improvement in prediction performance by combining NIR and MIR spectral data.

Main Methods:

  • Utilized partial least square (PLS) regression with wavelength selection for property estimation.
  • Employed a model averaging approach to combine predictions from NIR and MIR sensors.
  • Analyzed a diverse set of bio-based fertilizer samples.

Main Results:

  • Individual NIR and MIR methods successfully predicted 17 out of 25 properties.
  • Combining NIR and MIR spectral data improved prediction performance, enabling the quantification of 21 properties.
  • Significant improvements were observed for predicting Cadmium (Cd), Chromium (Cr), Zinc (Zn), Aluminum (Al), Calcium (Ca), Iron (Fe), Sulfur (S), Copper (Cu), Electrical Conductivity (EC), and Sodium (Na).

Conclusions:

  • The combined application of NIR and MIR spectral methods provides a robust approach for monitoring the composition of diverse bio-based fertilizers.
  • This integrated spectral technique enhances the accuracy and scope of analysis for essential fertilizer components and contaminants.
  • The findings support the use of combined NIR and MIR spectroscopy for quality control and application guidance of bio-based fertilizers.