AIMC Topic: Magnetic Resonance Spectroscopy

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Rapid discrimination of different primary processing Arabica coffee beans using FT-IR and machine learning.

Food research international (Ottawa, Ont.)
In this study, fourier transform infrared spectroscopy (FT-IR) analysis was combined with machine learning, while various analytical techniques such as colorimetry, low-field nuclear magnetic resonance spectroscopy, scanning electron microscope, two-...

Deep-ER: Deep Learning ECCENTRIC Reconstruction for fast high-resolution neurometabolic imaging.

NeuroImage
INTRODUCTION: Altered neurometabolism is an important pathological mechanism in many neurological diseases and brain cancer, which can be mapped non-invasively by Magnetic Resonance Spectroscopic Imaging (MRSI). Advanced MRSI using non-cartesian comp...

WALINET: A water and lipid identification convolutional neural network for nuisance signal removal in MR spectroscopic imaging.

Magnetic resonance in medicine
PURPOSE: Proton magnetic resonance spectroscopic imaging ( -MRSI) provides noninvasive spectral-spatial mapping of metabolism. However, long-standing problems in whole-brain -MRSI are spectral overlap of metabolite peaks with large lipid signal fro...

Comparative performance of artificial neural networks and support vector Machines in detecting adulteration of apple juice concentrate using spectroscopy and time domain NMR.

Food research international (Ottawa, Ont.)
The detection of adulteration in apple juice concentrate is critical for ensuring product authenticity and consumer safety. This study evaluates the effectiveness of artificial neural networks (ANN) and support vector machines (SVM) in analyzing spec...

Interpretable machine learning model for predicting clinically significant prostate cancer: integrating intratumoral and peritumoral radiomics with clinical and metabolic features.

BMC medical imaging
BACKGROUND: To develop and validate an interpretable machine learning model based on intratumoral and peritumoral radiomics combined with clinicoradiological features and metabolic information from magnetic resonance spectroscopy (MRS), to predict cl...

A combined NMR and deep neural network approach for enhancing the spectral resolution of aromatic side chains in proteins.

Science advances
Nuclear magnetic resonance (NMR) spectroscopy is an important technique for deriving the dynamics and interactions of macromolecules; however, characterizations of aromatic residues in proteins still pose a challenge. Here, we present a deep neural n...

Preventing mislabeling of organic white button mushrooms (Agaricus bisporus) combining NMR-based foodomics, statistical, and machine learning approach.

Food research international (Ottawa, Ont.)
Organic foods are among the most susceptible to fraud and mislabeling since the differentiation between organic and conventionally grown food relies on a paper-trail-based system. This study aimed to develop a differentiation model that combines nucl...

CBMAFF-Net: An Intelligent NMR-Based Nontargeted Screening Method for New Psychoactive Substances.

Analytical chemistry
With the proliferation and rapid evolution of new psychoactive substances (NPSs), traditional database-based search methods face increasing challenges in identifying NPS seizures with complex compositions, thereby complicating their regulation and ea...

Autonomous mobile robots for exploratory synthetic chemistry.

Nature
Autonomous laboratories can accelerate discoveries in chemical synthesis, but this requires automated measurements coupled with reliable decision-making. Most autonomous laboratories involve bespoke automated equipment, and reaction outcomes are ofte...