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Items: 1 to 50 of 69

1.

MolFind2: A Protocol for Acquiring and Integrating MS3 Data to Improve In Silico Chemical Structure Elucidation for Metabolomics.

Samaraweera MA, Hill DW, Grant DF.

Methods Mol Biol. 2020;2084:283-295. doi: 10.1007/978-1-0716-0030-6_18.

PMID:
31729668
2.

Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics.

Samaraweera MA, Hall LM, Hill DW, Grant DF.

Anal Chem. 2018 Nov 6;90(21):12752-12760. doi: 10.1021/acs.analchem.8b03118. Epub 2018 Oct 24.

PMID:
30350614
3.

Development of a Reverse Phase HPLC Retention Index Model for Nontargeted Metabolomics Using Synthetic Compounds.

Hall LM, Hill DW, Bugden K, Cawley S, Hall LH, Chen MH, Grant DF.

J Chem Inf Model. 2018 Mar 26;58(3):591-604. doi: 10.1021/acs.jcim.7b00496. Epub 2018 Mar 6.

PMID:
29489351
4.

Yale school of public health symposium on lifetime exposures and human health: the exposome; summary and future reflections.

Johnson CH, Athersuch TJ, Collman GW, Dhungana S, Grant DF, Jones DP, Patel CJ, Vasiliou V.

Hum Genomics. 2017 Dec 8;11(1):32. doi: 10.1186/s40246-017-0128-0.

5.

Development of Database Assisted Structure Identification (DASI) Methods for Nontargeted Metabolomics.

Menikarachchi LC, Dubey R, Hill DW, Brush DN, Grant DF.

Metabolites. 2016 May 31;6(2). pii: E17. doi: 10.3390/metabo6020017.

6.

Optimizing artificial neural network models for metabolomics and systems biology: an example using HPLC retention index data.

Hall LM, Hill DW, Menikarachchi LC, Chen MH, Hall LH, Grant DF.

Bioanalysis. 2015;7(8):939-55. doi: 10.4155/bio.15.1.

8.

Metabolic pathway predictions for metabolomics: a molecular structure matching approach.

Hamdalla MA, Rajasekaran S, Grant DF, Măndoiu II.

J Chem Inf Model. 2015 Mar 23;55(3):709-18. doi: 10.1021/ci500517v. Epub 2015 Feb 24.

PMID:
25668446
9.

Development of a two-step indirect method for modeling Ecom50.

Hall LH, Hall LM, Hill DW, Hawkins DM, Chen MH, Grant DF.

Curr Comput Aided Drug Des. 2014;10(4):374-82.

PMID:
25549758
10.

Ion mobility-derived collision cross section as an additional measure for lipid fingerprinting and identification.

Paglia G, Angel P, Williams JP, Richardson K, Olivos HJ, Thompson JW, Menikarachchi L, Lai S, Walsh C, Moseley A, Plumb RS, Grant DF, Palsson BO, Langridge J, Geromanos S, Astarita G.

Anal Chem. 2015 Jan 20;87(2):1137-44. doi: 10.1021/ac503715v. Epub 2014 Dec 29.

11.

Development of HPLC Retention Index QSAR Models for Nontargeted Metabolomics.

Hall LM, Hill DW, Hall LH, Kormos TM, Grant DF.

Adv Chromatogr. 2014;51:241-79. No abstract available.

PMID:
26462375
12.

In silico enzymatic synthesis of a 400,000 compound biochemical database for nontargeted metabolomics.

Menikarachchi LC, Hill DW, Hamdalla MA, Mandoiu II, Grant DF.

J Chem Inf Model. 2013 Sep 23;53(9):2483-92. doi: 10.1021/ci400368v. Epub 2013 Sep 12.

13.

BioSM: metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure space.

Hamdalla MA, Mandoiu II, Hill DW, Rajasekaran S, Grant DF.

J Chem Inf Model. 2013 Mar 25;53(3):601-12. doi: 10.1021/ci300512q. Epub 2013 Feb 27.

14.

Chemical structure identification in metabolomics: computational modeling of experimental features.

Menikarachchi LC, Hamdalla MA, Hill DW, Grant DF.

Comput Struct Biotechnol J. 2013 Mar 1;5:e201302005. doi: 10.5936/csbj.201302005. eCollection 2013. Review.

15.

MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures.

Menikarachchi LC, Cawley S, Hill DW, Hall LM, Hall L, Lai S, Wilder J, Grant DF.

Anal Chem. 2012 Nov 6;84(21):9388-94. doi: 10.1021/ac302048x. Epub 2012 Oct 23.

16.

Correlation of Ecom50 values between mass spectrometers: effect of collision cell radiofrequency voltage on calculated survival yield.

Hill DW, Baveghems CL, Albaugh DR, Kormos TM, Lai S, Ng HK, Grant DF.

Rapid Commun Mass Spectrom. 2012 Oct 15;26(19):2303-10. doi: 10.1002/rcm.6353.

17.

Development of Ecom₅₀ and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry.

Hall LM, Hall LH, Kertesz TM, Hill DW, Sharp TR, Oblak EZ, Dong YW, Wishart DS, Chen MH, Grant DF.

J Chem Inf Model. 2012 May 25;52(5):1222-37. doi: 10.1021/ci300092s. Epub 2012 Apr 27.

18.

Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics.

Kertesz TM, Hill DW, Albaugh DR, Hall LH, Hall LM, Grant DF.

Bioanalysis. 2009 Dec;1(9):1627-43. doi: 10.4155/bio.09.145. Review.

PMID:
21083108
19.

CE50: quantifying collision induced dissociation energy for small molecule characterization and identification.

Kertesz TM, Hall LH, Hill DW, Grant DF.

J Am Soc Mass Spectrom. 2009 Sep;20(9):1759-67. doi: 10.1016/j.jasms.2009.06.002. Epub 2009 Jun 21.

20.

Prediction of HPLC retention index using artificial neural networks and IGroup E-state indices.

Albaugh DR, Hall LM, Hill DW, Kertesz TM, Parham M, Hall LH, Grant DF.

J Chem Inf Model. 2009 Apr;49(4):788-99. doi: 10.1021/ci9000162.

PMID:
19309176
21.

An insect farnesyl phosphatase homologous to the N-terminal domain of soluble epoxide hydrolase.

Cao L, Zhang P, Grant DF.

Biochem Biophys Res Commun. 2009 Feb 27;380(1):188-92. doi: 10.1016/j.bbrc.2009.01.079. Epub 2009 Jan 23.

22.

Opposite regulation of cholesterol levels by the phosphatase and hydrolase domains of soluble epoxide hydrolase.

EnayetAllah AE, Luria A, Luo B, Tsai HJ, Sura P, Hammock BD, Grant DF.

J Biol Chem. 2008 Dec 26;283(52):36592-8. doi: 10.1074/jbc.M806315200. Epub 2008 Oct 29.

23.

Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra.

Hill DW, Kertesz TM, Fontaine D, Friedman R, Grant DF.

Anal Chem. 2008 Jul 15;80(14):5574-82. doi: 10.1021/ac800548g. Epub 2008 Jun 12.

PMID:
18547062
24.

Protein quaternary structure and expression levels contribute to peroxisomal-targeting-sequence-1-mediated peroxisomal import of human soluble epoxide hydrolase.

Luo B, Norris C, Bolstad ES, Knecht DA, Grant DF.

J Mol Biol. 2008 Jun 27;380(1):31-41. doi: 10.1016/j.jmb.2008.04.064. Epub 2008 May 3.

25.

Distribution and expression of soluble epoxide hydrolase in human brain.

Sura P, Sura R, Enayetallah AE, Grant DF.

J Histochem Cytochem. 2008 Jun;56(6):551-9. doi: 10.1369/jhc.2008.950659. Epub 2008 Mar 3.

26.

A semiparametric modeling framework for potential biomarker discovery and the development of metabonomic profiles.

Ghosh S, Grant DF, Dey DK, Hill DW.

BMC Bioinformatics. 2008 Jan 23;9:38. doi: 10.1186/1471-2105-9-38.

27.

Polymorphisms in the human soluble epoxide hydrolase gene EPHX2 linked to neuronal survival after ischemic injury.

Koerner IP, Jacks R, DeBarber AE, Koop D, Mao P, Grant DF, Alkayed NJ.

J Neurosci. 2007 Apr 25;27(17):4642-9.

28.

Novel Role of Soluble Epoxide Hydrolase in Regulating Cholesterol in Mammalian Cells.

Enayetallah A, Cao L, Grant DF.

Open Drug Metab J. 2007 Jan 1;1:1-6.

29.

Distribution of soluble epoxide hydrolase, cytochrome P450 2C8, 2C9 and 2J2 in human malignant neoplasms.

Enayetallah AE, French RA, Grant DF.

J Mol Histol. 2006 May;37(3-4):133-41. Epub 2006 Sep 7.

PMID:
16957870
30.

NMR and HPLC-MS/MS analysis of synthetically prepared linoleic acid diol glucuronides.

Yang J, Morton MD, Hill DW, Grant DF.

Chem Phys Lipids. 2006 Apr;140(1-2):75-87. Epub 2006 Feb 9.

PMID:
16500631
31.

Effects of human soluble epoxide hydrolase polymorphisms on isoprenoid phosphate hydrolysis.

Enayetallah AE, Grant DF.

Biochem Biophys Res Commun. 2006 Mar 3;341(1):254-60. Epub 2006 Jan 10.

PMID:
16414022
32.

Cell-specific subcellular localization of soluble epoxide hydrolase in human tissues.

Enayetallah AE, French RA, Barber M, Grant DF.

J Histochem Cytochem. 2006 Mar;54(3):329-35. Epub 2005 Nov 28.

PMID:
16314446
33.

Polymorphisms in human soluble epoxide hydrolase: effects on enzyme activity, enzyme stability, and quaternary structure.

Srivastava PK, Sharma VK, Kalonia DS, Grant DF.

Arch Biochem Biophys. 2004 Jul 15;427(2):164-9.

PMID:
15196990
34.

Distribution of soluble epoxide hydrolase and of cytochrome P450 2C8, 2C9, and 2J2 in human tissues.

Enayetallah AE, French RA, Thibodeau MS, Grant DF.

J Histochem Cytochem. 2004 Apr;52(4):447-54.

PMID:
15033996
35.
36.

Polymorphisms in human soluble epoxide hydrolase.

Przybyla-Zawislak BD, Srivastava PK, Vazquez-Matias J, Mohrenweiser HW, Maxwell JE, Hammock BD, Bradbury JA, Enayetallah AE, Zeldin DC, Grant DF.

Mol Pharmacol. 2003 Aug;64(2):482-90.

PMID:
12869654
37.

Linoleic acid metabolites act to increase contractility in isolated rat heart.

Mitchell LA, Grant DF, Melchert RB, Petty NM, Kennedy RH.

Cardiovasc Toxicol. 2002;2(3):219-30.

PMID:
12665667
38.

Effect of linoleic acid metabolites on Na(+)/K(+) pump current in N20.1 oligodendrocytes: role of membrane fluidity.

Ha J, Dobretsov M, Kurten RC, Grant DF, Stimers JR.

Toxicol Appl Pharmacol. 2002 Jul 1;182(1):76-83.

PMID:
12127265
39.

Divergent effects of selective peroxisome proliferator-activated receptor-gamma 2 ligands on adipocyte versus osteoblast differentiation.

Lecka-Czernik B, Moerman EJ, Grant DF, Lehmann JM, Manolagas SC, Jilka RL.

Endocrinology. 2002 Jun;143(6):2376-84.

PMID:
12021203
40.
41.

Linoleic acid prevents chloride influx and cellular lysis in rabbit renal proximal tubules exposed to mitochondrial toxicants.

Moran JH, Mitchell LA, Grant DF.

Toxicol Appl Pharmacol. 2001 Nov 1;176(3):153-61.

PMID:
11714247
42.

Identification of the gamma-aminobutyric acid receptor beta(2) and beta(3) subunits in rat, rabbit, and human kidneys.

Sarang SS, Plotkin MD, Gullans SR, Cummings BS, Grant DF, Schnellmann RG.

J Am Soc Nephrol. 2001 Jun;12(6):1107-13.

43.

Glucuronidation of linoleic acid diols by human microsomal and recombinant UDP-glucuronosyltransferases: identification of UGT2B7 as the major isoform involved.

Jude AR, Little JM, Czernik PJ, Tephly TR, Grant DF, Radominska-Pandya A.

Arch Biochem Biophys. 2001 May 15;389(2):176-86.

PMID:
11339806
44.

Defining mechanisms of toxicity for linoleic acid monoepoxides and diols in Sf-21 cells.

Moran JH, Mon T, Hendrickson TL, Mitchell LA, Grant DF.

Chem Res Toxicol. 2001 Apr;14(4):431-7.

PMID:
11304132
45.
46.

Analysis of the cytotoxic properties of linoleic acid metabolites produced by renal and hepatic P450s.

Moran JH, Mitchell LA, Bradbury JA, Qu W, Zeldin DC, Schnellmann RG, Grant DF.

Toxicol Appl Pharmacol. 2000 Nov 1;168(3):268-79. Erratum in: Toxicol Appl Pharmacol 2001 Mar 15;171(3):196.

PMID:
11042099
47.

Linoleic acid diols are novel substrates for human UDP-glucuronosyltransferases.

Jude AR, Little JM, Freeman JP, Evans JE, Radominska-Pandya A, Grant DF.

Arch Biochem Biophys. 2000 Aug 15;380(2):294-302.

PMID:
10933884
48.
49.

Expression and localization of the neuronal glycine receptor beta-subunit in human, rabbit and rat kidneys.

Sarang SS, Miller GW, Grant DF, Schnellmann RG.

Nephron. 1999;82(3):254-60.

PMID:
10395998
50.

Effects of linoleic acid metabolites on electrical activity in adult rat ventricular myocytes.

Stimers JR, Dobretsov M, Hastings SL, Jude AR, Grant DF.

Biochim Biophys Acta. 1999 Jun 10;1438(3):359-68.

PMID:
10366778

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