Publications by journal

Analytical Chemistry publications

A focused bibliography of Huan Lab publications in Analytical Chemistry.

Collection All publications 126 papers

Analytical Chemistry 34 papers

Environmental Science & Technology 7 papers

Analytical Chemistry

34 publications

Filtered publication list showing only papers published in Analytical Chemistry.

1
B. Low, C. Nguyen, T. Huan, ‘The Multifaceted Challenge of Normalizing Mass Spectrometry-Based Metabolomics Data’, Analytical Chemistry , accepted
2
C. Zhao, T. Zhao, Q. Shen, Z. Tang, X. Li, T. Huan, ‘Practical Guidance for Training Machine Learning Models in Metabolomics and Mass Spectrometry Research’, Analytical Chemistry , 97(42), 23005–23013, 2025
3
Z. Tang, J. Yang, B. Su, X. Xu, X. Luo, H. Wang, K. Zhang, T. Huan, P. Sinues, M. Fang, X. Li, ‘Metabolite Fusion between Breath and Blood enables More In-depth Understanding of the Endogenous Metabolome’, Analytical Chemistry , 97(36), 19427–19436, 2025
4
B. Liu, Z. Tang, T. Huan, ‘Adduct-Induced Variability in Tandem Mass Spectrometry’, Analytical Chemistry , 97(31), 17058-17066, 2025
5
T. Zhao, B. Low, Q. Shen, Y. Wang, DH. Delgado, K.N.M. Chau, Z. Pang, X. Li, J. Xia, X. Li, T. Huan, ‘Exposome-Scale Investigation of Cl-/Br-Containing Chemicals Using High-Resolution Mass Spectrometry, Multistage Machine Learning, and Cloud Computing’, Analytical Chemistry, 97(21), 11099-11109, 2025
6
Z. Zhang, H. Yu, E. Wong-Ma, P. Dokouhaki, A. Mostafa, J. Shavadia, F. Wu, T. Huan, ‘Reducing Quantitative Uncertainty Caused by Data Processing in Untargeted Metabolomics’, Analytical Chemistry , 96(9), 3727–3732, 2024
7
T. Zhao, N. Wawryk, S. Xing, B. Low, G. Li, H. Yu, Y. Wang, Q. Shen, X. Li, T. Huan, ‘ChloroDBPFinder: Machine Learning-Guided Recognition of Chlorinated Disinfection Byproducts from Nontargeted LC-HRMS Analysis’, Analytical Chemistry, 96(6), 2590-2598, 2024
8
T. Zhao, S. Xing, H. Yu, T. Huan, ‘De Novo Cleaning of Chimeric MS/MS Spectra for LC-MS/MS-Based Metabolomics’, Analytical Chemistry , 95 (35 ), 13018-13028, 2023
9
J. Guo, T. Huan, ‘Mechanistic Understanding of the Discrepancies Between Common Peak Picking Algorithms in LC-MS-Based Metabolomics’, Analytical Chemistry , 95 (14), 5894–5902, 2023
10
H. Yu, P. Sang, T. Huan, ‘Adaptive Box-Cox Transformation: A Highly Flexible Feature-Specific Data Transformation to Improve Metabolomics Data Normality for Better Statistical Analysis’, Analytical Chemistry , 94( 23), 8267–8276, 2022
11
J. Guo, S. Shen, T. Huan, ‘Paramounter: Direct Measurement of Universal Parameters To Process Metabolomics Data in a “White Box”’, Analytical Chemistry , 94(10), 4260-4268, 2022
12
J. Guo, S. Shen, S. Xing, Y. Chen, F. Chen, EM. Porter, H. Yu, T. Huan, ‘EVA: Evaluation of Metabolic Feature Fidelity Using A Deep Learning Model Trained With Over 25 000 Extracted Ion Chromatograms’, Analytical Chemistry , 93(36), 12181–12186, 2021
13
J. Guo, S. Shen, S. Xing, H. Yu, T. Huan, ‘ISFrag: De Novo Recognition of In-Source Fragments for Liquid Chromatography-Mass Spectrometry Data’, Analytical Chemistry , 93(29), 10243–10250 , 2021
14
H. Yu, Y. Chen, T. Huan, ‘Computational Variation: An Under-Investigated Quantitative Variability Caused by Automated Data Processing in Untargeted Metabolomics’, Analytical Chemistry , 93(25), 8719–8728, 2021
15
S. Xing, Y. Jiao, M. Salehzadeh, K. Soma, T. Huan, ‘SteroidXtract: Deep Learning-Based Pattern Recognition Enables Comprehensive and Rapid Extraction of Steroid-Like Metabolic Features for Automated Biology-Driven Metabolomics’, Analytical Chemistry , 93(14), 5735–5743, 2021
16
J. Guo, S. Shen, S. Xing, T. Huan, ‘DaDIA: Hybridizing Data-Dependent and Data-Independent Acquisition Modes for Generating High-Quality Metabolomics Data’, Analytical Chemistry , 93(4), 2669-2677, 2021
17
H. Yu, T. Huan, ‘Patterned Ratio Biases in Mass Spectrometry-Based Quantitative Metabolomics’, Analytical Chemistry , 93(4), 2254-2262, 2021
18
S. Xing, H. Yu, Z. Ying, M. Liu, M. Fang, T. Huan, ‘Retrieving and Utilizing Hypothetical Neutral Losses from Tandem Mass Spectra for Spectral Similarity Analysis and Unknown Metabolite Annotation’, Analytical Chemistry , 92(21), 14476–14483, 2020
19
D. Chen, W. Han, T. Huan; L. Li, L. Li, ‘Effects of Freeze-Thaw Cycles of Blood Samples on High-Coverage Quantitative Metabolomics’, Analytical Chemistry , 92(13), 9265–9272 , 2020
20
J. Guo, T. Huan, ‘Comparison of Full-Scan, Data-Dependent, and Data-Independent Acquisition Modes in Liquid Chromatography-Mass Spectrometry Based Untargeted Metabolomics’, Analytical Chemistry , 92(12), 8072-8080, 2020
21
H. Yu, S. Xing, L. Nierves, P. Lange, T. Huan, ‘Fold-Change Compression: An Unexplored But Correctable Quantitative Bias Caused by Nonlinear Electrospray Ionization Responses in Untargeted Metabolomics ‘, Analytical Chemistry , 92(10), 7011-7019 , 2020
22
Y. Hu, B. Cai, T. Huan, ‘Enhancing metabolome coverage in data-dependent LC-MS/MS analysis through an integrated feature extraction strategy’, Analytical Chemistry , 91(22), 14433-14441, 2019
23
T. Huan, A. Palermo, J. Ivanisevic, D. Rinehart, D. Edler, T. Phommavongsay, HP. Benton, C. Guijas, X. Domingo-Almenara, B. Warth, G. Siuzdak, ‘Autonomous Multi-Modal Metabolomics Data Integration for Comprehensive Pathway Analysis’, Analytical Chemistry , 90(14), 8396-8403, 2018
24
C. Guijas, JO. Montenegro-Burke, X. Dominogo-Almenara, A. Palermo, B. Warth, G. Hermann, G. Koellensperger, T. Huan, W. Uritboonthai, A. Aisporna, D. Wolan, M. Spiker, HP. Benton, G. Siuzdak, ‘METLIN: a Technology Platform for Identifying Knows and Unknowns’, Analytical Chemistry , 5(90), 3156-3164, 2018
25
B. Warth, S. Spangler, M. Fang, C. Johnson, E. Forsberg, R. Martin, A. Granados, X. Domingo-Almenara, T. Huan, D. Rinehart, J. Montenegro-Burke, B. Hilmers, A. Aisporna, L. Hoang, W. Heim, P. Benton, S. Richardson, S. Spangler, A. Williams, G. Siuzdak, ‘Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing’, Analytical Chemistry , 89(21), 11505-11513, 2017
26
JR Montenegro-Burke, AE. Aisporna, HP. Benton, D. Rinehart, M. Fang, T. Huan, B. Warth, EM. Forsberg, BT. Abe, J. Ivanisevic, L. Teyton, L. Lairson, G. Siuzdak, ‘Data Streaming for Metabolomics: Accelerating Data Processing and Analysis from Days to Minutes’, Analytical Chemistry, 89(2), 1254-1259, 2017
27
JR Montenegro-Burke, T. Phommavongsay, AE. Aisporna, T. Huan, D.Rinehart, E. Forsberg, FL. Poole, MP. Thorgersen, MWW. Adams, G. Krantz, MW. Fields, TR. Northen, PD. Robbins, LJ. Niedemhofer, L. Lairson, HP. Benton, G. Siuzdak, ‘Smartphone Analytics: Mobilizing the Lab into the Cloud for Omic-Scale Analyses’, Analytical Chemistry , 88 (19), 2016
28
T. Huan, Y. Wu, C. Tang, G. Lin, L. Li, ‘DnsID in MyCompoundID for Rapid Identification of Dnsylated Amine- and Phenol-containing Metabolites in Metabolomics’. Analytical Chemistry , 87(19) 9838-9845, 2015
29
T. Huan, C. Tang, R. Li, Y. Shi, G. Lin, L. Li, ‘MyCompoundID MS/MS search: Metabolite Identification Using a Library of Predicted Fragment-Ion-Spectra of 383,830 Possible Human Metabolites’. Analytical Chemistry , 87(20) 10619-10626, 2015
30
T. Huan, L. Li, ‘Quantitative Metabolome Analysis Based on Chromatographic Peak Reconstruction in Chemical Isotope Labeling Liquid Chromatography Mass Spectrometry’, Analytical Chemistry , 87(14) 7011-7016, 2015
31
T. Huan, L. Li, ‘Counting Missing Values in Metabolome Dataset for Measuring the Analytical Performance of a Metabolomics Platform’ , Analytical Chemistry , 87(2) 1306-1313. 2015
32
W. Xu, D. Chen, X. Su, N. Wang, R. Zhou, T. Huan, Q. Xie, L. Li, L. Li, ‘Development of High-Performance Chemical Isotope Labeling LC-MS for Profiling the Human Fecal Metabolome’, Analytical Chemistry, 87(2), 829-836, 2015. (ACS Editor Choice Paper)
33
R. Zhou, CL. Tseng, T. Huan, L. Li, ‘IsoMS: Automated Processing of LC-MS Data Generated by a Chemical Isotope Labeling Metabolomics Platform’, Analytical Chemistry , 86(10) 4675-4679, 2014
34
L. Li, R. Li, J. Zhou, A. Zuniga, AE. Stanislaus, Y. Wu, T. Huan, J. Zheng, Y. Shi, DS. Wishart, G. Lin, ‘MyCompoundID: Using an Evidence-based Metabolome Library for Metabolite Identification’, Analytical Chemistry , 85(6) 3401-3408, 2013