在MEMS FT-NIR光谱学中对传统和新型基于神经网络的光谱传输方法进行比较评估
Ali Khater1, Ashar Seif Al-Nasr1, Omar Khater1
1Si-Ware Systems, Cairo, Egypt.
概括
本研究介绍了一种光谱残余神经传输网络 (SRNTN),用于里埃变换近红外 (FT-NIR) 光谱校准传输,在各种样品和条件下优于传统方法. SRNTN提供了强大的和可靠的光谱传输,特别是对于湿样品的新湿度叠加技术.
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:
- 由于仪器和环境的变化,在富里埃变换近红外 (FT-NIR) 光谱中校准转移具有挑战性.
- 像光谱空间转换 (SST) 和光谱对齐等现有方法在各种样本类型和条件上都有局限性.
- 基于微电机系统 (MEMS) 的FT-NIR传感器需要强大的校准传输策略来获得可靠的数据.
研究的目的:
- 评估传统的校准传输方法 (SST,光谱对齐) 与一种新的光谱残余神经传输网络 (SRNTN) 相比.
- 用各种样本集评估这些方法在基于MEMS的FT-NIR传感器上的性能.
- 引入和验证一种湿度叠加方法,以改善湿样中的光谱转移.
主要方法:
- 开发并应用了一种用于光谱传输的光谱残留神经传输网络 (SRNTN).
- 采用了 28 个不同样本 (农业,无机) 的标准校准套件来收集数据.
- 采用传统方法:光谱空间转换 (SST) 和光谱对齐.
- 引入了一种新的湿度叠加方法,用于湿样.
- 使用根平均平方误差 (RMSE),R2和平均范围改进来评估性能.
主要成果:
- 对于干燥/地面材料,SST方法表现出强的性能 (平均改善率高达45.9%).
- 光谱对齐对湿/整个样品有效 (平均范围改善高达18.8%).
- SRNTN表现出适应性和一致性,达到高达38.4%的平均范围改善和21.9%的RMSE减少.
- 在数据集之间,SRNTN表现出性能变化最低.
- 湿度叠加显著提高了湿样品的性能 (RMSE改善高达17.3%).
结论:
- 在各种条件下,SRNTN为FT-NIR频谱传输提供了强大而可靠的解决方案.
- 量身定制的校准策略,包括新的技术,如湿度叠加,对于精确的光谱转移至关重要.
- 该研究强调了SRNTN在提高基于MEMS的FT-NIR传感器的一致性和可靠性的潜力.
相关概念视频
01:20NMR Spectrometers: Overview
1.3K
NMR spectrometers consist of a strong magnet, a radiofrequency transmitter, and a detector attached to a computer console for recording spectra of samples containing NMR-active nuclei. In first-generation NMR instruments called continuous-wave spectrometers, the resonance frequencies of the nuclei are determined by frequency-sweep or field-sweep methods. The magnetic field strength is fixed and the rf signal is swept in the former, while the radiofrequency signal is fixed and the magnetic field...
1.3K
01:11Applications of IR Spectroscopy: Overview
1.2K
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,...
1.2K
01:25Applications Of NMR In Biology
4.0K
Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
4.0K
01:26Raman Spectroscopy Instrumentation: Overview
542
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...
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...
542
01:182D NMR: Overview of Heteronuclear Correlation Techniques
323
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
323
01:02¹H NMR: Interpreting Distorted and Overlapping Signals
1.1K
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...
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...
1.1K