Tobias Kind
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Explore the profile of Tobias Kind including associated specialties, affiliations and a list of published articles.
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71
Citations
5616
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Recent Articles
1.
Engler Hart C, Preto A, Chanana S, Healey D, Kind T, Domingo-Fernandez D
J Cheminform
. 2024 Aug;
16(1):105.
PMID: 39210378
Ion Mobility coupled with Mass Spectrometry (IM-MS) is a promising analytical technique that enhances molecular characterization by measuring collision cross-section (CCS) values, which are indicative of the molecular size and...
2.
Engler Hart C, Kind T, Dorrestein P, Healey D, Domingo-Fernandez D
J Am Soc Mass Spectrom
. 2024 Jan;
35(2):266-274.
PMID: 38271611
Calculating spectral similarity is a fundamental step in MS/MS data analysis in untargeted metabolomics experiments, as it facilitates the identification of related spectra and the annotation of compounds. To improve...
3.
Wang S, Kind T, Bremer P, Tantillo D, Fiehn O
J Chem Inf Model
. 2022 Sep;
62(18):4403-4410.
PMID: 36107950
Here, we provide an algorithm that introduces excited states into the molecular dynamics prediction of the 70 eV electron ionization mass spectra. To decide the contributions of different electronic states,...
4.
Bremer P, Vaniya A, Kind T, Wang S, Fiehn O
J Chem Inf Model
. 2022 Aug;
62(17):4049-4056.
PMID: 36043939
Competitive Fragmentation Modeling for Metabolite Identification (CFM-ID) is a machine learning tool to predict in silico tandem mass spectra (MS/MS) for known or suspected metabolites for which chemical reference standards...
5.
Montasser M, Aslibekyan S, Srinivasasainagendra V, Tiwari H, Patki A, Bagheri M, et al.
Commun Biol
. 2022 Apr;
5(1):334.
PMID: 35393526
Identifying the genetic determinants of inter-individual variation in lipid species (lipidome) may provide deeper understanding and additional insight into the mechanistic effect of complex lipidomic pathways in CVD risk and...
6.
Keshet U, Kind T, Lu X, Devi S, Fiehn O
Anal Chem
. 2022 Feb;
94(6):2732-2739.
PMID: 35119811
Acyl-coenzyme A derivatives (acyl-CoAs) are core molecules in the fatty acid and energy metabolism across all species. However, in vivo, many other carboxylic acids can form xenobiotic acyl-CoA esters, including...
7.
Lee J, Kind T, Tantillo D, Wang L, Fiehn O
Metabolites
. 2022 Jan;
12(1).
PMID: 35050190
Mass spectrometry is the most commonly used method for compound annotation in metabolomics. However, most mass spectra in untargeted assays cannot be annotated with specific compound structures because reference mass...
8.
Wang S, Kind T, Bremer P, Tantillo D, Fiehn O
Anal Chem
. 2022 Jan;
94(3):1559-1566.
PMID: 35006668
Chemical derivatization, especially silylation, is widely used in gas chromatography coupled to mass spectrometry (GC-MS). By introducing the trimethylsilyl (TMS) group to substitute active hydrogens in the molecule, thermostable volatile...
9.
Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification
Li Y, Kind T, Folz J, Vaniya A, Mehta S, Fiehn O
Nat Methods
. 2021 Dec;
18(12):1524-1531.
PMID: 34857935
Compound identification in small-molecule research, such as untargeted metabolomics or exposome research, relies on matching tandem mass spectrometry (MS/MS) spectra against experimental or in silico mass spectral libraries. Most software...
10.
Irvin M, Montasser M, Kind T, Fan S, Barupal D, Patki A, et al.
Nutrients
. 2021 Nov;
13(11).
PMID: 34836252
Postprandial lipemia (PPL) is an important risk factor for cardiovascular disease. Inter-individual variation in the dietary response to a meal is known to be influenced by genetic factors, yet genes...