NORMAN guidance on suspect and non-target screening in environmental monitoring
Increasing production and use of chemicals and awareness of their impact on ecosystems
and humans has led to large interest for broadening the knowledge on the chemical status …
and humans has led to large interest for broadening the knowledge on the chemical status …
The critical role that spectral libraries play in capturing the metabolomics community knowledge
Background Spectral library searching is currently the most common approach for
compound annotation in untargeted metabolomics. Spectral libraries applicable to liquid …
compound annotation in untargeted metabolomics. Spectral libraries applicable to liquid …
Recent advances in mass spectrometry-based computational metabolomics
The computational metabolomics field brings together computer scientists, bioinformaticians,
chemists, clinicians, and biologists to maximize the impact of metabolomics across a wide …
chemists, clinicians, and biologists to maximize the impact of metabolomics across a wide …
Progress and challenges in exploring aquatic microbial communities using non-targeted metabolomics
Advances in bioanalytical technologies are constantly expanding our insights into complex
ecosystems. Here, we highlight strategies and applications that make use of non-targeted …
ecosystems. Here, we highlight strategies and applications that make use of non-targeted …
Portosystemic shunt placement reveals blood signatures for the development of hepatic encephalopathy through mass spectrometry
Elective transjugular intrahepatic portosystemic shunt (TIPS) placement can worsen
cognitive dysfunction in hepatic encephalopathy (HE) patients due to toxins, including …
cognitive dysfunction in hepatic encephalopathy (HE) patients due to toxins, including …
MS2Query: reliable and scalable MS2 mass spectra-based analogue search
NF de Jonge, JJR Louwen, E Chekmeneva… - Nature …, 2023 - nature.com
Metabolomics-driven discoveries of biological samples remain hampered by the grand
challenge of metabolite annotation and identification. Only few metabolites have an …
challenge of metabolite annotation and identification. Only few metabolites have an …
Comparison of cosine, modified cosine, and neutral loss based spectrum alignment for discovery of structurally related molecules
Spectrum alignment of tandem mass spectrometry (MS/MS) data using the modified cosine
similarity and subsequent visualization as molecular networks have been demonstrated to …
similarity and subsequent visualization as molecular networks have been demonstrated to …
The changing metabolic landscape of bile acids–keys to metabolism and immune regulation
Bile acids regulate nutrient absorption and mitochondrial function, they establish and
maintain gut microbial community composition and mediate inflammation, and they serve as …
maintain gut microbial community composition and mediate inflammation, and they serve as …
Effects of a ketogenic and low‐fat diet on the human metabolome, microbiome, and foodome in adults at risk for Alzheimer's disease
INTRODUCTION The ketogenic diet (KD) is an intriguing therapeutic candidate for
Alzheimer's disease (AD) given its protective effects against metabolic dysregulation and …
Alzheimer's disease (AD) given its protective effects against metabolic dysregulation and …
Evaluation of data-dependent MS/MS acquisition parameters for non-targeted metabolomics and molecular networking of environmental samples: Focus on the Q …
Non-targeted liquid chromatography–tandem mass spectrometry (LC–MS/MS) is a widely
used tool for metabolomics analysis, enabling the detection and annotation of small …
used tool for metabolomics analysis, enabling the detection and annotation of small …