相关概念视频
¹³C NMR: ¹H–¹³C Decoupling
1.7K
The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
1.7K
Inductively Coupled Plasma Atomic Emission Spectroscopy: Instrumentation
628
Inductively coupled plasma (ICP) is the common plasma source used in atomic emission spectroscopy (AES), a technique that detects and analyzes various elements in a sample. This method is often called inductively coupled plasma atomic emission spectroscopy (ICP-AES).
There are three main types of inductively coupled plasma atomic emission spectroscopy (ICP-AES) instruments: sequential, simultaneous multichannel, and Fourier transform instruments, with the latter being less commonly used....
There are three main types of inductively coupled plasma atomic emission spectroscopy (ICP-AES) instruments: sequential, simultaneous multichannel, and Fourier transform instruments, with the latter being less commonly used....
628
Atomic Emission Spectroscopy: Instrumentation
1.2K
The instrumentation of atomic emission spectrometry (AES) involves various components, including atomization devices that convert samples into gas-phase atoms and ions. There are two main types of atomization devices: continuous and discrete atomizers. Continuous atomizers, like plasmas and flames, introduce samples in a constant stream, while discrete atomizers inject individual samples using syringes or autosamplers. The most common discrete atomizer is the electrothermal atomizer.
1.2K
IR Spectroscopy: Molecular Vibration Overview
4.5K
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...
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...
4.5K
Atomic Absorption Spectroscopy: Instrumentation
1.6K
An atomic absorption spectrophotometer (AAS) comprises several components: a radiation source, an atomizer, a monochromator, and a detector. The radiation source can be a hollow-cathode lamp (HCL) or an electrodeless-discharge lamp (EDL), both of which provide a narrow emission line of the required wavelength. However, some instruments use continuum sources and high-resolution monochromators to achieve a narrow range of radiation.
The atomizer used in AAS can be either a flame atomizer or an...
The atomizer used in AAS can be either a flame atomizer or an...
1.6K
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)
1.4K
Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
1.4K
您也可能阅读
相关文章
通过共同作者、期刊和引用图与本文相关的文章。
排序
Same author
Bioactive Magnesium Silicate Activating Myocardial Energy Metabolism For Infarcted Myocardium Repair.
Exploration (Beijing, China)·2026
Same author
Speckle-based measurement of the fractional azimuthal index of orbital angular momentum beams for refractive index sensing.
Nature communications·2026
Same author
Superconducting nanowire single-photon detectors for enhanced biomedical imaging.
Journal of biomedical optics·2026
Same author
Endogenous Glucagon-Like Peptide 1 Enhanced by Vildagliptin Reduces Triglyceride Appearance During Intraduodenal Fat Infusion in Type 2 Diabetes.
Diabetes·2026
Same journal
Impact of an Artificial Albumin Corona on Surface Charge-Driven Nano-Bio Interactions and Cytotoxicity of Silver Nanoparticles.
ACS omega·2026
Same journal
Structural and Functional Disruption of Thiopurine S‑Methyltransferase by the A80P Variant: A Simulation and Genotyping Study.
ACS omega·2026
Same journal
CRISPR/Cas12a2-Mediated Ultrasensitive Assay for Rapid Detection of H1N1 Influenza Virus RNA.
ACS omega·2026
Same journal
Photocatalytic Treatment of Real Sugar Industry Wastewater Using Lignocellulosic Biomass-Derived Hydrochar/g-CN.
ACS omega·2026
Same journal
Electrochemical Dopamine Biosensor Based on Plant-Derived Peroxidase Immobilized on Titanate Nanowires.
ACS omega·2026
CO2 用直频光谱和机器学习进行同位素学量化.
Madeleine Cochrane1,2, Sarah K Scholten2,3, Chris Perrella2,3,4
1Australian Institute for Machine Learning (AIML), School of Computer and Mathematical Sciences, University of Adelaide, Adelaide, South Australia 5005, Australia.
ACS omega
|November 10, 2025
概括
机器学习准确地估计了气体度,即使有重叠的光谱特征. 与传统方法相比,具有数据增强的变压器模型显著提高了二氧化碳同位素的准确性.
科学领域:
- 频谱学是一种光谱学.
- 机器学习 机器学习
- 环境监测 环境监测
背景情况:
- 直接频率光谱学提供了准确的,选择性的和宽带的气体分析.
- 在具有重叠吸收特征的复杂气体混合物中估计度具有挑战性.
- 传统的曲线配合方法与复杂的混合物作斗争.
研究的目的:
- 应用机器学习来精确估计二氧化碳同位素度.
- 为了比较不同的机器学习模型和数据增强技术.
- 克服光谱分析中传统方法的局限性.
主要方法:
- 利用机器学习模型 (包括变压器) 来分析光谱数据.
- 对传输光谱和虚拟成像阶段阵列光谱仪输出进行了研究分析.
- 采用数据增强技术,特别是转移的光谱,以增强模型的概括性.
主要成果:
- 用转移光谱数据增强的变压器方法实现了高精度.
- 取得的平均绝对误差为14.7 ppm对于12C16O2和0.3 ppm对于16C16O2.
- 超过了传统的曲线拟合3个数量级.
结论:
- 机器学习,特别是带有数据增强的变压器模型,为光谱分析提供了一种优越的方法.
- 这种方法准确量化了复杂气体混合物的分子度.
- 先进的光谱分析对医疗保健,环境监测和食品质量具有前景.


