用标准加法对高维光谱数据中的矩阵效应进行补偿.
Elena Khanonkin1, Israel Schechter1, Itai Dattner2
1Faculty of Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel.
Sensors (Basel, Switzerland)
|February 13, 2025
概括
一个新的标准加法算法有效地使用高维数据量化复杂样品中的分析物,克服矩阵效应,而不需要样品组成或空白测量.
科学领域:
- 分析化学 分析化学
- 化学测量 化学测量 化学测量
- 频谱学是一种光谱学.
背景情况:
- 标准加法对于在分析化学中补偿矩阵效应至关重要.
- 传统的标准加法仅限于像全光谱这样的高维数据.
- 目前用于光谱数据的方法需要矩阵组成和空白测量,限制了它们的使用.
研究的目的:
- 为高维数据开发一种新的标准加法算法.
- 为了能够在没有矩阵组成或空白数据的情况下准确量化分析物.
- 解决复杂矩阵中现有方法的局限性.
主要方法:
- 一个新的算法在化学建模之前修改实验数据 (例如光谱).
- 该方法被设计为在不需要对矩阵组成知识的情况下运行.
- 它还可以在不需要空白测量的情况下运行.
主要成果:
- 该算法准确地确定复杂矩阵 (海水,食物) 中的分析物度.
- 它有效地弥补了高维数据中的矩阵效应.
- 性能评估显示优于现有的标准加法和直接多变量方法.
- 该算法证明了对信号噪声比 (SNR) 和矩阵效应强度变化的稳定性.
结论:
- 拟议的算法提供了一个多功能解决方案,用于标准加法与高维数据.
- 它将标准添加的适用性扩展到复杂样品,其中空白样品是不可用的.
- 这种方法提高了在具有挑战性的矩阵中进行定量分析的准确性和可靠性.
相关概念视频
Aliasing
115
Accurate signal sampling and reconstruction are crucial in various signal-processing applications. A time-domain signal's spectrum can be revealed using its Fourier transform. When this signal is sampled at a specific frequency, it results in multiple scaled replicas of the original spectrum in the frequency domain. The spacing of these replicas is determined by the sampling frequency.
If the sampling frequency is below the Nyquist rate, these replicas overlap, preventing the original...
If the sampling frequency is below the Nyquist rate, these replicas overlap, preventing the original...
115
Vector Algebra: Method of Components
13.6K
It is cumbersome to find the magnitudes of vectors using the parallelogram rule or using the graphical method to perform mathematical operations like addition, subtraction, and multiplication. There are two ways to circumvent this algebraic complexity. One way is to draw the vectors to scale, as in navigation, and read approximate vector lengths and angles (directions) from the graphs. The other way is to use the method of components.
In many applications, the magnitudes and directions of...
In many applications, the magnitudes and directions of...
13.6K
Extraction: Partition and Distribution Coefficients
1.7K
The distribution law or Nernst's distribution law is the law that governs the distribution of a solute between two immiscible solvents. This law, also known as the partition law, states that if a solute is added to the mixture of two immiscible solvents at a constant temperature, the solute is distributed between the two solvents in such a way that the ratio of solute concentrations in the solvents remains constant at equilibrium.
For extracting a solute from an aqueous phase into an...
For extracting a solute from an aqueous phase into an...
1.7K
Linear Approximation in Frequency Domain
85
Linear systems are characterized by two main properties: superposition and homogeneity. Superposition allows the response to multiple inputs to be the sum of the responses to each individual input. Homogeneity ensures that scaling an input by a scalar results in the response being scaled by the same scalar.
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear....
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear....
85
Area Computation by the Alternative Coordinate Method
44
The alternative coordinate method, also known as the Shoelace Formula, is a technique for determining the area of a traverse using Cartesian coordinates. This method relies on the sequential arrangement of x and y coordinates for each point of the shape, ensuring accuracy and ease of application.In this approach, each corner's x and y coordinates are listed as fractions, with the x-coordinate as the numerator and the y-coordinate as the denominator. These coordinates are arranged sequentially...
44
Friedman Two-way Analysis of Variance by Ranks
136
Friedman's Two-Way Analysis of Variance by Ranks is a nonparametric test designed to identify differences across multiple test attempts when traditional assumptions of normality and equal variances do not apply. Unlike conventional ANOVA, which requires normally distributed data with equal variances, Friedman's test is ideal for ordinal or non-normally distributed data, making it particularly useful for analyzing dependent samples, such as matched subjects over time or repeated measures...
136


