top of page
Project 1 Publications

Papers for the current funding period


Barnych B, Singh N, Negrel S, Zhang Y, Magis D, Roux C, Hua X, Ding Z, Morisseau C, Tantillo DJ, Siegel JB, Hammock BD. “Development of potent inhibitors of the human microsomal epoxide hydrolase.” Eur J Med Chem. 2020 May 1;193:112206. doi: 10.1016/j.ejmech.2020.112206. Epub 2020 Mar 13. PMID: 32203787; PMCID: PMC7366823. (Cores A & B)

Bertolani SJ, Siegel JB. “A new benchmark illustrates that integration of geometric constraints inferred from enzyme reaction chemistry can increase enzyme active site modeling accuracy.” PLoS One. 2019 Apr 4;14(4):e0214126. doi: 10.1371/journal.pone.0214126. eCollection 2019. PMID: 30947258; PMCID: PMC6448891. 

Black WB, Zhang L, Mak WS, Maxel S, Cui Y, King E, Fong B, Sanchez Martinez A, Siegel JB, Li H. “Engineering a nicotinamide mononucleotide redox cofactor system for biocatalysis.” Nat Chem Biol. 2020 Jan;16(1):87-94. doi: 10.1038/s41589-019-0402-7. Epub 2019 Nov 25. PMID: 31768035; PMCID: PMC7546441. 

Charrier JG, McFall AS, Vu KK, Baroi J, Olea C, Hasson A, Anastasio C. "A bias in the "mass-normalized" DTT response - an effect of non-linear concentration-response curves for copper and manganese." Atmospheric environment (Oxford, England : 1994). 2016;144:325-34. Epub 2016/09/27. doi: 10.1016/j.atmosenv.2016.08.071. PubMed PMID: 27667959; PMCID: PMC5031483.

Contreras SC, Bertolani SJ, Siegel JB. “A Benchmark for Homomeric Enzyme Active Site Structure Prediction Highlights the Importance of Accurate Modeling of Protein Symmetry.” ACS Omega. 2019 Dec 19;4(27):22356-22362. doi: 10.1021/acsomega.9b02636. eCollection 2019 Dec 31. PMID: 31909318; PMCID: PMC6941179.

Gan J, Siegel JB, German JB. “Molecular annotation of food - towards personalized diet and precision health.” Trends Food Sci Technol. 2019 Sep;91:675-680. doi: 10.1016/j.tifs.2019.07.016. Epub 2019 Jul 24. PMID: 33299266; PMCID: PMC7723349.


Garrido, J.A.; Parthasarathy, S.; Moschet, C.; Young, T.M., McKone, T.E.; Bennett, D.H. “Exposure Assessment for Air-to-Skin Uptake of Semi-Volatile Organic Compounds Indoors” Environmental Science & Technology, 2020, Apr 21;54(8):5306; DOI: 10.1021/acs.est.8b05123; PMID: 30525510; PMCID: PMC7036297.

Hou, C, Smith, P, Huang, J, Fell, J, Huang, P, Vater, A, Siegel, J. "Design to Data for mutants of β-glucosidase B from Paenibacillus polymyxa: Q22T, W123R, F155G, Y169M, W438D, V401A." bioRxiv. 2019. 12.23.887380; doi:

Huang P, Chu SKS, Frizzo HN, Connolly MP, Caster RW, Siegel JB. “Evaluating Protein Engineering Thermostability Prediction Tools Using an Independently Generated Dataset.”  ACS Omega. 2020 Mar 20;5(12):6487-6493. doi: 10.1021/acsomega.9b04105. eCollection 2020 Mar 31. PMID: 32258884; PMCID: PMC7114132.

Jia M, Zhang Y, Siegel JB, Tantillo DJ, Peters RJ. “Switching on a Nontraditional Enzymatic Base - Deprotonation by Serine in the ent-Kaurene Synthase from Bradyrhizobium japonicum.” ACS Catal. 2019 Oct 4;9(10):8867-8871. doi: 10.1021/acscatal.9b02783. Epub 2019 Aug 27. PMID: 32489716; PMCID: PMC7266162.

Middleton BR, Talaugon S, Young TM, Wong L, Fluharty S, Reed K, Cosby C, Myers R II “Bi-Directional Learning: Identifying Contaminants on the Yurok Indian Reservation,” International Journal of Environmental Research and Public Health, 2019, 16, 3513; DOI: 10.3390/ijerph16193513; PMID: 31547171; PMCID: PMC6801823. (Cores B & C)

Moschet C, Anumol T, Lew BM, Bennett DH, Young TM. “Household dust as a repository of chemical accumulation: New insights from a comprehensive high-resolution mass spectrometry study,” Environmental Science and Technology, 2018, 52, 2878-2887; DOI: 10.1021/acs.est.7b05767; PMID: 29437387; PMCID: PMC7239036.

Moschet C, Lew BM, Hasenbein S, Anumol T, Young TM. “LC- and GC-QTOF-MS as Complementary Tools for a Comprehensive Micropollutant Analysis in Aquatic Systems,” Environmental Science and Technology, 2017, 51: 1553-1561; DOI: 10.1021/acs.est.6b05352; PMID: 28026950; PMCID: PMC7238889.

Parry E, Young TM. "Comparing targeted and non-targeted high-resolution mass spectrometric approaches for assessing advanced oxidation reactor performance." Water research. 2016;104:72-81. Epub 2016/08/16. doi: 10.1016/j.watres.2016.07.056. PubMed PMID: 27518144; PMCID: PMC7108753.

Rupiper AM, Loge FJ. “Identifying and overcoming barriers to onsite non-potable water reuse in California from local stakeholder perspectives.” Resources, Conservation & Recycling: X, 2019, 4(September), 100018.

Shin HM, Moschet C, Young TM, Bennett DH. “Measured Concentrations of Consumer Product Chemicals in California House Dust: Implications for Sources, Exposure, and Toxicity Potential,” Indoor Air, 2020; 30, 60–75; DOI: 10.1111/ina.12607; PMID: 31587372; PMCID: PMC6917863.


Young TM, Black GP, Wong L, Bloszies CS, Fiehn O, He G, Denison MS, Vogel CFA, Durbin-Johnson B. “Identifying Toxicologically Significant Compounds in Urban Wildfire Ash using in Vitro Bioassays and High Resolution Mass Spectrometry,” Environmental Science & Technology, in press. (Core D)

bottom of page