先进的方法优化采样和分析仪器仪表
Stephanie N Gamble1, Caroline O Granger1, Joseph M Mannion1
1Savannah River National Laboratory, Aiken 29808, South Carolina, United States.
Analytical chemistry
|July 10, 2024
概括
本研究介绍了一种使用多变量,多目标优化和Karush-Kuhn-Tucker条件的通用方法优化策略. 这种方法增强了分析方法的开发,提高了数据质量,加速了新技术的创建.
科学领域:
- 分析化学 分析化学
- 化学工程是化学工程的重要组成部分.
- 计算化学计算化学
背景情况:
- 传统的分析方法开发通常是耗时的,并且依赖于历史技术.
- 现代优化技术提供了提高效率和准确性的潜力,但需要与物理约束进行整合.
研究的目的:
- 为分析方法优化提出一个通用,强大的战略.
- 为了更广泛的应用,弥合历史和现代优化技术之间的差距.
- 为了使化学测量和机器学习的改进分析方法的快速发展.
主要方法:
- 使用Karush-Kuhn-Tucker条件进行多变量,多目标优化.
- 包括选实验和ANOVA来确定重要的参数.
- 采用实验设计 (例如,Box-Behnken) 和对参数优化的拉格朗日解.
- 将该策略应用于气色谱-质谱法 (GC-MS) 方法开发.
主要成果:
- 开发了一个分析方法优化的通用框架.
- 证明了在物理仪器限制范围内限制优化能力.
- 成功应用了优化GC-MS方法的策略,减少了开发时间和提高了数据质量.
结论:
- 拟议的优化策略提供了一个强大的工具,可以增强各种应用程序的分析方法开发.
- 这种方法可以大大降低研究成本,并促进快速创建新的分析技术.
- 从优化方法中改进的数据质量支持先进的数据分析,包括化学测量和机器学习.
相关概念视频
Sampling Methods: Overview
302
A sample refers to a smaller subset representative of a larger population. In analytical chemistry, studying or analyzing an entire population is often impractical or impossible. Therefore, samples are used to draw inferences and generalize the whole population. The sampling method selects individuals or items from a population to create a sample. Standard sampling methods include random, judgemental, systematic, stratified, and cluster sampling.
In analytical chemistry, the choice of...
In analytical chemistry, the choice of...
302
Sampling Plans
180
Sampling is a crucial step in analytical chemistry, allowing researchers to collect representative data from a large population. Common sampling methods include random, judgmental, systematic, stratified, and cluster sampling.
Random sampling is a method where each member of the population has an equal chance of being selected for the sample. It involves selecting individuals randomly, often using random number generators or lottery-type methods. For example, when analyzing the properties of a...
Random sampling is a method where each member of the population has an equal chance of being selected for the sample. It involves selecting individuals randomly, often using random number generators or lottery-type methods. For example, when analyzing the properties of a...
180
Systematic Error: Methodological and Sampling Errors
1.5K
In the case of systematic errors, the sources can be identified, and the errors can be subsequently minimized by addressing these sources. According to the source, systematic errors can be divided into sampling, instrumental, methodological, and personal errors.
Sampling errors originate from improper sampling methods or the wrong sample population. These errors can be minimized by refining the sampling strategy. Defective instruments or faulty calibrations are the sources of instrumental...
Sampling errors originate from improper sampling methods or the wrong sample population. These errors can be minimized by refining the sampling strategy. Defective instruments or faulty calibrations are the sources of instrumental...
1.5K
Sample Preparation for Analysis: Overview
212
Sample preparation is an essential step in the analytical process. It involves preparing a sample so that it can be analyzed accurately. The goal is to extract the analyte, the substance you want to measure, from the sample while removing any components that may interfere with the analysis. Sample preparation techniques vary depending on the physical state of the sample.
Bulk or large solid samples are typically reduced in size using grinding, crushing, or milling techniques to increase the...
Bulk or large solid samples are typically reduced in size using grinding, crushing, or milling techniques to increase the...
212
Sampling Methods: Sample Types
211
Sampling materials are classified into three main types: solid, liquid, and gas.
Solid samples include a variety of substances, such as sediments from water bodies, soil, metals, and biological tissues. Two standard methods for extracting sediments from water bodies are grab sampling and piston coring. Grab sampling involves using a device to collect a discrete sediment sample from the bottom of a water body with minimal disturbance. Grab samples do not always represent the entire area due to...
Solid samples include a variety of substances, such as sediments from water bodies, soil, metals, and biological tissues. Two standard methods for extracting sediments from water bodies are grab sampling and piston coring. Grab sampling involves using a device to collect a discrete sediment sample from the bottom of a water body with minimal disturbance. Grab samples do not always represent the entire area due to...
211
Convenience Sampling Method
8.8K
Sampling is a technique to select a portion (or subset) of the larger population and study that portion (the sample) to gain information about the population. Data are the result of sampling from a population. The sampling method ensures that samples are drawn without bias and accurately represent the population.
Convenience sampling is a non-random method of sample selection; this method selects individuals that are easily accessible and may result in biased data. For example, a marketing...
Convenience sampling is a non-random method of sample selection; this method selects individuals that are easily accessible and may result in biased data. For example, a marketing...
8.8K


