Ultra-fast and accurate electron ionization mass spectrum matching for compound identification with million-scale in-silico library

Q Yang, H Ji, Z Xu, Y Li, P Wang, J Sun, X Fan… - Nature …, 2023 - nature.com
Spectrum matching is the most common method for compound identification in mass
spectrometry (MS). However, some challenges limit its efficiency, including the coverage of …

Plasma metabolic fingerprints for large-scale screening and personalized risk stratification of metabolic syndrome

Y Chen, W Xu, W Zhang, R Tong, A Yuan, Z Li… - Cell Reports …, 2023 - cell.com
Direct diagnosis and accurate assessment of metabolic syndrome (MetS) allow for prompt
clinical interventions. However, traditional diagnostic strategies overlook the complex …

Identification of SARS-CoV-2 Mpro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2

N Higashi-Kuwata, K Tsuji, H Hayashi, H Bulut… - Nature …, 2023 - nature.com
COVID-19 caused by SARS-CoV-2 has continually been serious threat to public health
worldwide. While a few anti-SARS-CoV-2 therapeutics are currently available, their antiviral …

[HTML][HTML] Metabolomics in environmental toxicology: Applications and challenges

C Bedia - Trends in Environmental Analytical Chemistry, 2022 - Elsevier
Metabolomics is a discipline aiming to characterize the presence of metabolites in biological
matrices under specific conditions. In recent years, metabolomics has increasingly been …

A root phloem pole cell atlas reveals common transcriptional states in protophloem-adjacent cells

S Otero, I Gildea, P Roszak, Y Lu, V Di Vittori… - Nature Plants, 2022 - nature.com
Single-cell sequencing has recently allowed the generation of exhaustive root cell atlases.
However, some cell types are elusive and remain underrepresented. Here we use a second …

Plant and microbial sciences as key drivers in the development of metabolomics research

A Aharoni, R Goodacre… - Proceedings of the …, 2023 - National Acad Sciences
This year marks the 25th anniversary of the coinage of the term metabolome [SG Oliver et
al., Trends Biotech. 16, 373–378 (1998)]. As the field rapidly advances, it is important to take …

Metabolomics: A promising technique for uncovering quality-attribute of fresh and processed fruits and vegetables

K Wang, X Liao, J Xia, C Xiao, J Deng, Z Xu - Trends in Food Science & …, 2023 - Elsevier
Background Fresh and processed fruits and vegetables (F&V) contain small molecules,
which contribute to the nutritional, taste, aroma, color, and safety quality of fresh and …

A comprehensive review of wheat phytochemicals: From farm to fork and beyond

W Tian, Y Zheng, W Wang, D Wang… - … Reviews in Food …, 2022 - Wiley Online Library
The health benefits of whole wheat consumption can be partially attributed to wheat's
phytochemicals, including phenolic acids, flavonoids, alkylresorcinols, carotenoids …

New advances in tissue metabolomics: a review

M Saoi, P Britz-McKibbin - Metabolites, 2021 - mdpi.com
Metabolomics offers a hypothesis-generating approach for biomarker discovery in clinical
medicine while also providing better understanding of the underlying mechanisms of chronic …

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

NF de Jonge, K Mildau, D Meijer, JJR Louwen… - Metabolomics, 2022 - Springer
Background Untargeted metabolomics approaches based on mass spectrometry obtain
comprehensive profiles of complex biological samples. However, on average only 10% of …