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相关概念视频

UV–Vis Spectrometers01:14

UV–Vis Spectrometers

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The absorbance of UV and visible (UV–visible) radiations is measured using a UV–visible spectrophotometer. Deuterium lamps, which emit UV radiation, and tungsten lamps, which produce radiation in the visible region, are used as light sources in UV–visible spectrophotometers. A monochromator or prism is used for diffraction grating, i.e., to split the incoming radiation into different wavelengths. A system of slits is used to focus the desired wavelength on the sample cell.
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¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.0K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
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Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview01:02

Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview

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Ultraviolet–visible (UV–visible or UV–Vis) spectroscopy is an analytical technique that investigates the interaction between matter and UV–Vis light within the electromagnetic spectrum. This method is widely used for its versatility, simplicity, and relatively quick data acquisition, making it valuable for both qualitative and quantitative analysis. When UV–Vis radiation passes through a material,  molecules absorb light depending on the energy required for...
2.7K
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

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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...
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¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

1.1K
The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
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NMR Spectroscopy: Chemical Shift Overview01:15

NMR Spectroscopy: Chemical Shift Overview

1.5K
The position of the absorption signal of a sample is reported relative to the position of the signal of tetramethylsilane (TMS), which is added as an internal reference while recording spectra. The difference between the absorption frequencies of the sample and TMS (in Hz) is divided by the spectrometer operating frequency (in MHz) to obtain a dimensionless quantity called the chemical shift. It is reported on the δ (delta) scale and expressed in parts per million.
For instance, the proton...
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Studying Soft-matter and Biological Systems over a Wide Length-scale from Nanometer and Micrometer Sizes at the Small-angle Neutron Diffractometer KWS-2
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可变的移动窗口标准正常变量转换可见-NIR光谱分析.

Kunping Chi1, Jiarui Lin1, Min Chen1

  • 1Department of Optoelectronic Engineering, Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, China.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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概括
此摘要是机器生成的。

可变移动窗口标准正常变量 (CMW-SNV) 方法改善了可见近红外 (Vis-NIR) 分析的光谱校正. CMW-SNV提高了定量和定性分析的准确性,优于传统的SNV方法.

关键词:
可变的移动窗口标准正常变量可变.玉米面的湿度分析同等距离的组合和波长的逐步淘汰.确定大米种子的真实性土壤有机物分析分析

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科学领域:

  • 分析化学 分析化学
  • 频谱学是一种光谱学.
  • 化学测量 化学测量 化学测量

背景情况:

  • 可见近红外 (Vis-NIR) 光谱学被广泛用于化学分析.
  • 标准正常变量 (SNV) 校正是一种常见的预处理技术,用于减少散射效应.
  • 全球SNV校正的局限性包括潜在的光谱不连续性和局部信息丢失.

研究的目的:

  • 引入和验证可变移动窗口标准正常变量 (CMW-SNV) 方法,作为对经典SNV的改进.
  • 为了比较CMW-SNV与SNV和等分段SNV (ES-SNV) 的性能,进行光谱校正.
  • 使用波长选择方法优化CMW-SNV,以提高分析模型性能.

主要方法:

  • 基于局部线性假设的CMW-SNV算法的开发.
  • 应用CMW-SNV,SNV和ES-SNV到可见近红外 (Vis-NIR) 光谱数据.
  • 建立部分最小平方 (PLS) 和部分最小平方-区分分析 (PLS-DA) 模型,使用纠正的光谱.
  • 通过选择窗口大小 (m) 和应用等距离组合 (EC) 和波长逐步淘汰 (WSP) 来优化CMW-SNV.

主要成果:

  • 与全球SNV相比,CMW-SNV显著改善了土壤有机物量化的PLS模型 (26.4%的SEPM减少) 和玉米面的水分 (6.6%的SEPM减少).
  • CMW-SNV增强了用于米种子识别的PLS-DA,将识别精度提高了2.1% (RAR).
  • 在保持光谱连续性的情况下,CMW-SNV模型始终表现比ES-SNV模型要好或等于ES-SNV模型.

结论:

  • CMW-SNV是对全球SNV进行本地化和有效的改进,保持光谱连续性.
  • 采用CMW-SNV方法,优化了窗口大小和波长选择,为Vis-NIR分析提供了卓越的光谱校正.
  • 在各种数据集的定量和定性分析中,CMW-SNV表现出强的表现.