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» Michael Appell
Michael Appell
Research Chemist
Research Chemist
Phone: (309) 681-6249
Fax: (309) 681-6672
Room 3123A
USDA ARS NCAUR
1815 N University St.
Peoria IL 61604
Michael Appell joined USDA-ARS, NCAUR in 2002. After earning a B.S. in Biochemistry from UIC and a Ph.D. in Medicinal Chemistry from the University of Illinois College of Pharmacy, Dr. Appell conducted NIDA supported postdoctoral research in the field of molecular pharmacology at the University of Illinois College of Medicine. Dr. Appell’s current research is in food safety. Food safety is important for supporting public health and reducing foodborne illness. Occasionally, agricultural commodities can be contaminated with fungi capable of producing toxins, known as mycotoxins. The objective of our research is to find new ways to detect and reduce exposure to mycotoxins in food and beverages. The research addresses the limitations of existing methods to detect toxins in popular commodities, such as corn, coffee, and fruit juices. The technology developed uses a combination of analytical chemistry, predictive modeling, and materials science.
Click to Access my Publications
Innovative Approaches to Monitor, Predict, and Reduce Fungal Toxins In-House Appropriated (D) Accession Number:438643 
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- Lipase-catalyzed transesterification of virgin and refined hemp seed oil with ferulic acid ethyl ester -(Peer Reviewed Journal)
Compton, D.L., Pero, B.A., Radloff, G.H., Evangelista, R.L., Winkler-Moser, J.K., Kenar, J.A., Cermak, S.C., Appell, M.D., Evans, K.O., Wegener, E.C., Rheay, H.T., Skory, C.D. 2024. Lipase-catalyzed transesterification of virgin and refined hemp seed oil with ferulic acid ethyl ester. Journal of the American Oil Chemists' Society. https://doi.org/10.1002/aocs.12849. - In vitro evaluation of the adsorption efficacy of biochar materials on aflatoxin B1, ochratoxin A, and zearalenone -(Peer Reviewed Journal)
Appell, M., Wegener, E.C., Sharma, B.K., Eller, F.J., Evans, K.O., Compton, D.L. 2023. In vitro evaluation of the adsorption efficacy of biochar materials on aflatoxin B1, ochratoxin A, and zearalenone. Animals. 13(21). Article 3311. https://doi.org/10.3390/ani13213311. - Biophysical Characterization of Alpha-Glucan Nanoparticles Encapsulating Feruloylated Soy Glycerides (FSG) -(Pre-print Publication)
Evans, K.O., Compton, D.L., Skory, C.D., Appell, M.D. 2023. Biophysical Characterization of Alpha-Glucan Nanoparticles Encapsulating Feruloylated Soy Glycerides (FSG). Soil Science Research Network (SSRN). Article e4414758. https://doi.org/10.2139/ssrn.4414758. - When machine learning and deep learning come to the big data in food chemistry -(Review Article)
Tseng, Y.J., Chuang, P.-J., Appell, M. 2023. When machine learning and deep learning come to the big data in food chemistry. ACS Omega. 8:15854-15864. https://doi.org/10.1021/acsomega.2c07722?urlappend=%3Fref%3DPDF&jav=VoR&rel=cite-as. - The effects of sequential hydrothermal-mechanical refining pretreatment on cellulose structure changes and sugar recoveries -(Peer Reviewed Journal)
Cheng, M.H., Maitra, S., Carr Clennon, A.N., Appell, M., Dien, B.S., Singh, V. 2022. The effects of sequential hydrothermal-mechanical refining pretreatment on cellulose structure changes and sugar recoveries. Biomass Conversion and Biorefinery. https://doi.org/10.1007/s13399-022-03359-3. - Synthesis and analysis of lactose polyurethanes and their semi-interpenetrating polymer networks -(Peer Reviewed Journal)
Cheng, H.N., Biswas, A., Kim, S., Appell, M., Furtado, R.F., Bastos, M.S.R., Alves, C.R. 2022. Synthesis and analysis of lactose polyurethanes and their semi-interpenetrating polymer networks. International Journal of Polymer Analysis and Characterization. 27(4):266-276. https://doi.org/10.1080/1023666X.2022.2064037. - Raman spectral analysis for rapid determination of zearalenone and alpha-zearalanol -(Peer Reviewed Journal)
Appell, M.D., Compton, D.L., Bosma, W.B. 2022. Raman spectral analysis for rapid determination of zearalenone and alpha-zearalanol. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 270. Article 120842. https://doi.org/10.1016/j.saa.2021.120842. - Production and purification of natural phenylpropenoids-(Abstract Only)
Compton, D.L., Appell, M.D., Kenar, J.A., Evans, K.O. 2021. Production and purification of natural phenylpropenoids. [abstract]. American Chemical Society. Virtual Meeting. Paper No. 3551779. - Predictive quantitative structure-activity relationship modeling of the antifungal and antibiotic properties of triazolothiadiazine compounds -(Peer Reviewed Journal)
Appell, M.D., Compton, D.L., Evans, K.O. 2020. Predictive quantitative structure-activity relationship modeling of the antifungal and antibiotic properties of triazolothiadiazine compounds. Methods and Protocols. 4(1). Article 2. https://doi.org/10.3390/mps4010002. - Pseudoflowers produced by Fusarium xyrophilum on yellow-eyed grass
(Xyris spp.) in Guyana: A novel floral mimicry system? -(Peer Reviewed Journal)
Laraba, I., McCormick, S.P., Vaughan, M.M., Proctor, R.H., Busman, M., Appell, M., O'Donnell, K., Felker, F.C., Aime, M.C., Wurdack, K.J. 2020. Pseudoflowers produced by Fusarium xyrophilum on yellow-eyed grass (Xyris spp.) in Guyana: A novel floral mimicry system? Fungal Genetics and Biology. 144. Article 103466. https://doi.org/10.1016/j.fgb.2020.103466. - Development and physical characterization of alpha-glucan nanoparticles -(Peer Reviewed Journal)
Evans, K.O., Skory, C.D., Compton, D.L., Cormier, R., Cote, G., Kim, S., Appell, M.D. 2020. Development and physical characterization of alpha-glucan nanoparticles. Molecules. 25(17). Article 3807. https://doi.org/10.3390/molecules25173807. - Quantum chemical and quantitative structure activity relationship (QSAR) assessment of the antifungal properties of phenolic compounds-(Abstract Only)
Appell, M., Tu, Y.-S., Compton, D.L., Evans, K.O., Wang, L. 2020. Quantum chemical and quantitative structure activity relationship (QSAR) assessment of the antifungal properties of phenolic compounds. American Chemistry Society Abstracts. [abstract]. - Changing the landscape: an introduction to the AGFD technical program at the 258th ACS national meeting in San Diego -(Proceedings)
Appell, M., Biswas, A., Chang, S, Chen, W., Cheng, H.N., Daily, J., F. Xuetong Fan, Granvogl, M., Guo, M., Ito, Y., Jin, T., Kobori, M., Leland, J.V., Liu, L.S., Luo, Y., MacMahon, S., Mahattanatawee, K., Nam, S., Osorio, C., Park, B., Ren, D., Sang, S., Shahidi, F., Tunick, M., Udenigwe, C.C. Wang, Q., Yokoyama, W.H., Yu, L., Zhang, Y., Zhu Y. 2020. Changing the landscape: an introduction to the Agricultural and Food Chemistry Technical Program at the 258th American Chemical Society National Meeting in San Diego. Journal of Agricultural and Food Chemistry 68(46):12769-12772. DOI: 10.1021/acs.jafc.0c02809 - Quantitative structure-activity relationship study for prediction of antifungal properties of phenolic compounds -(Peer Reviewed Journal)
Appell, M.D., Tu, Y., Compton, D.L., Evans, K.O., Wang, L.C. 2020. Quantitative structure-activity relationship study for prediction of antifungal properties of phenolic compounds. Structural Chemistry. 31:1621-1630. https://doi.org/10.1007/s11224-020-01549-1. - Ochratoxin A analysis in wine and grape juice using LC-fluorescence detection with nanosponge solid phase extraction clean-up-(Abstract Only)
Appell, M., Evans, K.O., Jackson, M.A., Compton, D.L. 2019. Ochratoxin A analysis in wine and grape juice using LC-fluorescence detection with nanosponge solid phase extraction clean-up [abstract]. - Preparation of xylan esters with the use of selected Lewis acids -(Book / Chapter)
Biswas, A., Cheng, H.N., Appell, M.D., Furtado, R.F., Bastos, M.R., Alves, C.R. 2020. Preparation of xylan esters with the use of selected Lewis acids. In: Tunick, M.H., Liu, L. Innovative uses of agricultural products and byproducts. Vol. 1347. American Chemical Society Symposium Series eBook. p. 33-42. https://doi.org/10.1021/bk-2020-1347.ch002. - Enzymatic synthesis and flash chromatography separation of 1,3-diferuloyl-sn-glycerol and 1-feruloyl-sn-glycerol -(Peer Reviewed Journal)
Compton, D.L., Appell, M., Kenar, J.A., Evans, K.O. 2020. Enzymatic synthesis and flash chromatography separation of 1,3-diferuloyl-sn-glycerol and 1-feruloyl-sn-glycerol. Methods and Protocols. 3(1):8. https://doi.org/10.3390/mps3010008. - Rapid Raman spectroscopic determination of 1-feruloyl-sn-glycerol and 1,3-diferuloyl-sn-glycerol -(Peer Reviewed Journal)
Compton, D.L., Appell, M. 2020. Rapid Raman spectroscopic determination of 1-feruloyl-sn-glycerol and 1,3-diferuloyl-sn-glycerol. Spectrochimica Acta. 229:118020. https://doi.org/10.1016/j.saa.2019.118020. - Biomimetic agro-based materials for food safety-(Abstract Only)
Appell, M., Jackson, M.A., Evans, K.O., Compton, D.L., Bosma, W.B. 2019. Biomimetic agro-based materials for food safety [abstract]. - Comprehensive theoretical investigation of alternariol and alternariol monomethyl ether-(Abstract Only)
Tu, Y.-S., Tseng, Y.J., Appell, M. 2019. Comprehensive theoretical investigation of alternariol and alternariol monomethyl ether [abstract]. - Application of ab initio molecular dynamic simulation in 4D fingerprints-(Abstract Only)
Tu, Y.-S., Tseng, Y.J., Appell, M. 2019. Application of ab initio molecular dynamic simulation in 4D fingerprints [abstract]. - Charged phospholipid effects on AAPH oxidation assay as determined using liposomes -(Peer Reviewed Journal)
Evans, K.O., Compton, D.L., Kim, S., Appell, M.D. 2019. Charged phospholipid effects on AAPH oxidation assay as determined using liposomes. Chemistry and Physics of Lipids. 220:49-56. https://doi.org/10.1016/j.chemphyslip.2019.02.004. - Quantum chemical investigation of the detection properties of alternariol and alternariol monomethyl ether -(Peer Reviewed Journal)
Tu, Y.-S., Tseng, Y.J., Appell, M. 2019. Quantum chemical investigation of the detection properties of alternariol and alternariol monomethyl ether. Structural Chemistry. https://doi.org/10.1007/s11224-019-01302-3. - Preparation of sorbitol-based polyurethanes and their semiinterpenetrating polymer networks -(Peer Reviewed Journal)
Biswas, A., Cheng, H.N., Kim, S., Appell, M.D., Boddu, V.M., Alves, C.R., Furtado, R.F. 2019. Preparation of sorbitol-based polyurethanes and their semiinterpenetrating polymer networks. Journal of Applied Polymer Science. 136:47602. https://doi.org/10.1002/app.47602. - Feruloylated vegetable oils protect vitamins C and E from UV degradation-(Abstract Only)
Compton, D.L., Evans, K.O., Appell, M.D., Goodell, J.R. 2019. Feruloylated vegetable oils protect vitamins C and E from UV degradation [abstract]. #IOP 10. - Determination of pH Effects Phosphatidyl-hydroxytyrosol and Phosphatidyl-tyrosol bilayer behavior -(Peer Reviewed Journal)
Evans, K.O., Compton, D.L., Appell, M.D. 2018. Determination of pH Effects Phosphatidyl-hydroxytyrosol and Phosphatidyl-tyrosol bilayer behavior. Methods and Protocols. 1(4):41. doi:10.3390/mps1040041. - Determination of ochratoxin A in grape juice and wine using nanosponge solid phase extraction clean-up and liquid chromatography with fluorescence detection -(Peer Reviewed Journal)
Appell, M., Evans, K.O., Jackson, M.A., Compton, D.L. 2019. Determination of ochratoxin A in grape juice and wine using nanosponge solid phase extraction clean-up and liquid chromatography with fluorescence detection. Journal of Liquid Chromatography and Related Technologies. 41:949-954. https://doi.org/10.1080/10826076.2018.1544148. - Quantum molecular dynamics and cheminformatics study of mycotoxin detection and toxicity to improve food safety-(Abstract Only)
Tu, Y.-S., Tseng, Y.J., Appell, M. 2018. Quantum molecular dynamics and cheminformatics study of mycotoxin detection and toxicity to improve food safety [Abstract]. - Theoretical investigation of cyromazine tautomerism using density functional theory and Moller–Plesset perturbation theory methods -(Peer Reviewed Journal)
Tu, Y.-S., Tseng, Y.J., Appell, M. 2018. Theoretical investigation of cyromazine tautomerism using density functional theory and Moller–Plesset perturbation theory methods. Molecular Simulation. 44(16):1344-1352. https://doi.org/10.1080/08927022.2018.1506117. - Chemist of the year award-(Abstract Only)
Appell, M.D. 2018. Chemist of the year award [abstract]. - Theoretical investigation of cyromazine tautomerism using density functional theory and Møller–Plesset perturbation theory methods-(Abstract Only)
Tu, Y.-S., Tseng, Y.J., Appell, M.D. 2018. Theoretical investigation of cyromazine tautomerism using density functional theory and Møller–Plesset perturbation theory methods [abstract]. - Computational studies on the excited state properties of citrinin and application in fluorescence analysis-(Abstract Only)
- Amino acids and proteins-(Book / Chapter)
Appell, M., Hurst, W.J., Finley, J.W., deMan, J.M. 2018. Amino acids and proteins. In: deMan, J.M., Finley, J.W., Hurst, W.J., Lee, C.Y., editors. Principles of Food Chemistry. 4th edition. New York, NY: Springer. p. 117-164. - Spectroscopic and time-dependent density functional investigation of the role of structure on the acid-base effects of citrinin detection -(Peer Reviewed Journal)
Appell, M., Evans, K.O., Compton, D.L., Wang, L.C., Bosma, W.B. 2018. Spectroscopic and time-dependent density functional investigation of the role of structure on the acid-base effects of citrinin detection. Structural Chemistry. 29(3):715-723. https://doi.org/10.1007/s11224-017-1065-1. - Chemical approaches to solve mycotoxin problems and improve food safety-(Abstract Only)
- Spectroscopic and time-dependent density functional theory investigation of the photophysical properties of zearalenone and its analogs-(Abstract Only)
- Analysis of the photophysical properties of zearalenone using density functional theory-(Peer Reviewed Journal)
Appell, M., Wang, L.C., Bosma, W.B. 2017. Analysis of the photophysical properties of zearalenone using density functional theory. Luminescence. 188:551-557. - Parameters governing ruthenium sawhorse-based decarboxylation of oleic acid -(Peer Reviewed Journal)
Doll, K.M., Bantchev, G.B., Walter, E.L., Murray, R.E., Appell, M., Lansing, J.C., Moser, B.R. 2017. Parameters governing ruthenium sawhorse-based decarboxylation of oleic acid. Industrial and Engineering Chemistry Research. 56(4):864-871. - Experimental and theoretical study of the influence of water on hydrolyzed product formation during the feruloylation of vegetable oil-(Peer Reviewed Journal)
Compton, D.L., Evans, K.O., Appell, M. 2016. Experimental and theoretical study of the influence of water on hydrolyzed product formation during the feruloylation of vegetable oil. Journal of the Science of Food and Agriculture. 97(9):3022-3029. doi: 10.1002/jsfa.8145. - Tyrosol-based liposomal behavior: Size, z-potential, TEM, QCM-D and fluorescence analysis-(Abstract Only)
Evans, K.O., Compton, D.L., Appell, M.D. 2016. Tyrosol-based liposomal behavior: Size, z-potential, TEM, QCM-D and fluorescence analysis [abstract]. American Chemical Society. Poster AGFD#78. - DFT studies of the vibrational spectra of salicylic acid and related compounds-(Abstract Only)
Appell, M.D., Bosma, W.B. 2016. DFT studies of the vibrational spectra of salicylic acid and related compounds [abstract]. - Effect of pH and solvent on the fluorescence spectroscopy of ochratoxin A-(Abstract Only)
Ortega Santiago, J., Appell, M.D., Wang, L.C., Orellana, L.E. 2016. Effect of pH and solvent on the fluorescence spectroscopy of ochratoxin A [abstract]. - Materials science approaches to solve problems with emerging mycotoxins in corn-(Abstract Only)
Appell, M. 2016. Materials science approaches to solve problems with emerging mycotoxins in corn [abstract]. - Mycotoxin analysis using imprinted materials technology: Recent developments-(Review Article)
Appell, M., Mueller, A. 2016. Mycotoxin analysis using imprinted materials technology: Recent developments. Journal of AOAC International. 99(4):861-864. - Applications of nanoporous cyclodextrin polymers to prevent exposure to mycotoxins-(Abstract Only)
Appell, M.D. 2016. Applications of nanoporous cyclodextrin polymers to prevent exposure to mycotoxins [abstract]. - Structure-property study of the Raman spectroscopy detection of fusaric acid and analogs-(Abstract Only)
Martinez Rosado, E., Orellana, L.E., Appell, M.D. 2016. Structure-property study of the Raman spectroscopy detection of fusaric acid and analogs [abstract]. - Feruloyl glycerol and 1,3-diferuloyl glycerol antioxidant behavior in phospholipid vesicles-(Peer Reviewed Journal)
Evans, K.O., Compton, D.L., Laszlo, J.A., Appell, M. 2015. Feruloyl glycerol and 1,3-diferuloyl glycerol antioxidant behavior in phospholipid vesicles. Chemistry and Physics of Lipids. 195:1-11. doi: 10.1016/j.chemphyslip.2015.11.001. - Separation and determination of citrinin in corn using HPLC fluorescence detection assisted by molecularly imprinted solid phase extraction clean-up -(Peer Reviewed Journal)
Appell, M., Jackson, M.A., Wang, L.C., Bosma, W.B. 2015. Determination of citrinin using molecularly imprinted solid phase extraction purification, HPLC separation, and fluorescence detection. Journal of Liquid Chromatography and Related Technologies. 38(20):1815-1819. - Recent advances in applied nanoscience for food safety-(Abstract Only)
Appell, M. 2015. Recent advances in applied nanoscience for food safety. Meeting Abstract. - Spectrofluorimetric study of the interaction of the mycotoxin citrinin with gold nanoparticles-(Abstract Only)
Appell, M., Bosma, W. 2015. Spectrofluorimetric study of the interaction of the mycotoxin citrinin with gold nanoparticles [abstract]. - Octadecyl ferulate behavior in 1,2-dioleoylphosphocholine liposomes-(Peer Reviewed Journal)
Evans, K.O., Compton, D.L., Whitman, N.A., Laszlo, J.A., Appell, M., Vermillion, K.E., Kim, S. 2015. Octadecyl ferulate behavior in 1,2-dioleoylphosphocholine liposomes. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 153:333-343. doi: 10.1016/j.saa.2015.08.009. - Hydrogenation of fructose to 2,5-dimethyltetrahydrofuran using a sulfur poisoned Pt/C catalyst-(Peer Reviewed Journal)
Jackson, M.A., Appell, M., Blackburn, J.A. 2015. Hydrodeoxygenation of fructose to 2,5-dimethyltetrahydrofuran using a sulfur poisoned Pt/C catalyst. Industrial and Engineering Chemistry Research. 54(28):7059-7066. doi: 10.1021/acs.iecr.5b00766. - Microwave-assisted synthesis of cyclodextrin polyurethanes-(Peer Reviewed Journal)
Biswas, A., Appell, M., Liu, Z., Cheng, H.N. 2015. Microwave-assisted synthesis of cyclodextrin polyurethanes. Carbohydrate Polymers. 133:74-79. doi: 10.1016/j.carbpol.2015.06.044. - QSAR and density functional approaches to evaluate trichothecene toxicity and detection-(Abstract Only)
Appell, M.D., Bosma, W.B. 2016. QSAR and density functional approaches to evaluate trichothecene toxicity and detection [abstract]. - Assessment of the electronic structure and properties of trichothecene toxins using density functional theory -(Peer Reviewed Journal)
Appell, M., Bosma, W.B. 2015. Assessment of the electronic structure and properties of trichothecene toxins using density functional theory. Journal of Hazardous Materials. 288:113-123. - Synthesis, isolation, and acyl migration kinetics of desaturated and hydroxylated 2-monoacylglycerols-(Abstract Only)
Compton, D.L., Laszlo, J.A., Appell, M.D., Evans, K.O. 2014. Synthesis, isolation, and acyl migration kinetics of desaturated and hydroxylated 2-monoacylglycerols [abstract]. American Chemical Society. Abstract AGFD292. - Fructose hydrogenation to 2,5-dimethyltetrahydrofuran over a sulfur-poisoned Pt/C catalyst-(Abstract Only)
Jackson, M.A., Appell, M.D., Blackburn, J.A. 2014. Fructose hydrogenation to 2,5-dimethyltetrahydrofuran over a sulfur-poisoned Pt/C catalyst [abstract]. American Chemical Society. Abstract 293. p. 74. - Thiol-ene and H-phosphonate-ene reactions for lipid modifications-(Book / Chapter)
Bantchev, G.B., Cermak, S.C., Biresaw, G., Appell, M., Kenar, J.A., Murray, R.E. 2015. Thiol-ene and H-phosphonate-ene reactions for lipid modifications. In: Liu, Z., Kraus, G., editors. Green Materials from Plant Oils. 1st edition. Cambridge, UK: RSC Publishing. p. 59-92. - Analysis of fusaric acid in maize using molecularly imprinted solid phase extraction (MISPE) clean-up and ion-pair LC with diode array UV detection-(Abstract Only)
Appell, M.D., Jackson, M.A., Wang, L.C., Ho, C., Mueller, A. 2014. Analysis of fusaric acid in maize using molecularly imprinted solid phase extraction (MISPE) clean-up and ion-pair LC with diode array UV detection. Meeting Abstract. - Determination of fusaric acid in maize using molecularly imprinted SPE clean-up -(Peer Reviewed Journal)
Appell, M., Jackson, M.A., Wang, L.C., Ho, C., Mueller, A. 2014. Determination of fusaric acid in maize using molecularly imprinted SPE clean-up. Journal of Separation Science. 37(3):281-286. - Synthesis, purification, and acyl migration kinetics of 2-Monoricinoleoylglycerol -(Peer Reviewed Journal)
Compton, D.L., Laszlo, J.A., Appell, M., Vermillion, K., Evans, K.O. 2014. Synthesis, purification, and acyl migration kinetics of 2-Monoricinoleoylglycerol. Journal of the American Oil Chemists' Society. 91(2):271-279. - Preface-(Book / Chapter)
Appell, M.D., Jackson, M.A. 2014. Preface. In: Park, B; Appell, M., Editors. ACS Symposium #1143: Advances in Applied Nanotechnology for Agriculture. Washington, DC: American Chemical Society. p. ix. - Biochar: sustainable and versatile-(Book / Chapter)
Peterson, S.C., Jackson, M.A., Appell, M. 2013. Biochar: sustainable and versatile. In: Park, B., Appell, M., editors. Advances in Applied Nanotechnology for Agriculture. New York, NY: American Chemical Society Symposium Series. p. 193-205. - Applications of Nanoporous Materials in Agriculture-(Book / Chapter)
Appell, M.D., Jackson, M.A. 2014. Applications of nanoporous materials in agriculture. In: Park, B., Appell, M., editors. ACS Symposium Series: Advances in Applied Nanotechnology for Agriculture. Washington, DC: American Chemical Society. p. 167-178. - Adsorption of mycotoxins in beverages onto functionalized mesoporous silicas-(Abstract Only)
Appell, M., Jackson, M.A. 2013. Adsorption of mycotoxins in beverages onto functionalized mesoporous silicas. American Chemical Society National Meeting. Abstract. - Antioxidant behavior of 1-feruloyl-sn-glycerol and 1,3-diferuloyl-sn-glycerol in phospholipid liposomes 1-(Abstract Only)
Evans, K.O., Compton, D.L., Laszlo, J.A., Appell, M.D. 2013. Antioxidant behavior of 1-feruloyl-sn-glycerol and 1,3-diferuloyl-sn-glycerol in phospholipid liposomes 1 [abstract]. American Chemical Society. AGFD14. - Synthesis and spectral characterization of methyl 9(10)-dialkylphosphonostearates-(Peer Reviewed Journal)
Bantchev, G.B., Biresaw, G., Vermillion, K., Appell, M.D. 2013. Synthesis and spectral characterization of methyl 9(10)-dialkylphosphonostearates. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 110:81-91. - Use of cyclodextrin-based polymer for patulin analysis in apple juice-(Peer Reviewed Journal)
Shirasawa, T., Ueda, M., Appell, M.D., Goto, T. 2013. Use of cyclodextrin-based polymer for patulin analysis in apple juice. Mycotoxins. 63(1):1-8. - Comparing corn stover and switchgrass biochar: characterization and sorption properties-(Peer Reviewed Journal)
Peterson, S.C., Appell, M.D., Jackson, M.A., Boateng, A.A. 2012. Comparing corn stover and switchgrass biochar: characterization and sorption properties. Canadian Journal of Agricultural Science. 5(1):1-8. - Use of cyclodextrin-based polymer for patulin analysis in apple juice-(Abstract Only)
Shirasawa, T., Ueda, M., Appell, M.D., Goto, T. 2012. Use of cyclodextrin-based polymer for patulin analysis in apple juice. Meeting Abstract. - Synthetic materials to reduce exposure to mycotoxins in fermented foods and beverages-(Abstract Only)
Appell, M.D., Jackson, M.A. 2012. Synthetic materials to reduce exposure to mycotoxins in fermented foods and beverages. Food Micro 2012 International Symposium Food Microbiology and Hygiene. p. 69. - Quantum chemical studies of estrogenic compounds
-(Book / Chapter)
Bosma, W.B., Appell, M.D. 2013. Quantum chemical studies of estrogenic compounds. In: Pietro Cozzini, G., Kellogg, G.E., editors. Computational Approaches to Nuclear Receptors. Cambridge, UK: The Royal Society of Chemistry. p. 110-116. - Influence of fatty acid desaturation on spontaneous acyl migration in 2-monoacylglycerols-(Peer Reviewed Journal)
Compton, D.L., Laszlo, J.A., Appell, M.D., Vermillion, K., Evans, K.O. 2012. Influence of fatty acid desaturation on spontaneous acyl migration in 2-monoacylglycerols. Journal of the American Oil Chemists' Society. 89(12):2259-2267. - 2-monoacylglycerol acyl migration: Affect of fatty acid desaturation-(Abstract Only)
Compton, D.L., Laszlo, J.A., Appell, M.D., Vermillion, K., Evans, K.O. 2012. 2-monoacylglycerol acyl migration: Affect of fatty acid desaturation [abstract]. American Chemical Society. AGFD 127. - Antioxidant capacity and stability of liposomes containing a triglyceride derivative of lipoic acid-(Abstract Only)
Laszlo, J.A., Evans, K.O., Compton, D.L., Appell, M.D. 2012. Antioxidant capacity and stability of liposomes containing a triglyceride derivative of lipoic acid [abstract]. American Chemical Society. PAPER ID: 10084 - Evaluation of functionalized SBA-15 to reduce patulin levels in apple juice-(Abstract Only)
Appell, M.D., Jackson, M.A. 2012. Evaluation of functionalized SBA-15 to reduce patulin levels in apple juice [abstract]. American Chemical Society. AGFD 244. - Biochar as potential adsorptive media for estrogenic compounds-(Abstract Only)
Peterson, S.C., Appell, M.D., Jackson, M.A. 2012. Biochar as potential adsorptive media for estrogenic compounds [abstract]. American Chemical Society. AGFD 230. - Interactions between cyclodextrins and fluorescent T-2 and HT-2 toxin derivatives: a physico-chemical study-(Peer Reviewed Journal)
Ventrella, A., Verrone, R., Longobardi, F., Agostiano, A., Lippolis, V., Pascale, M., Maragos, C.M., Appell, M.D., Catucci, L. 2012. Interactions between cyclodextrins and fluorescent T-2 and HT-2 toxin derivatives: A physico-chemical study. Journal of Inclusion Phenomena and Macrocyclic Chemistry. 75(3-4):285-292. - Sorption of Ochratoxin A from aqueous solutions using beta-cyclodextrin-polyurethane polymer-(Peer Reviewed Journal)
Appell, M.D., Jackson, M.A. 2012. Sorption of Ochratoxin A from aqueous solutions using beta-cyclodextrin-polyurethane polymer. Toxins. 4:98-109. DOI: 10.3390/toxinx4020098. - Dihydrolipoyl dioleoylglycerol antioxidant capacity in phospholipid vesicles-(Peer Reviewed Journal)
Laszlo, J.A., Evans, K.O., Compton, D.L., Appell, M.D. 2012. Dihydrolipoyl dioleoylglycerol antioxidant capacity in phospholipid vesicles. Chemistry and Physics of Lipids. 165:160-168. - The Acrylation of Glycerol: a Precursor to Functionalized Lipids-(Peer Reviewed Journal)
Jackson, M.A., Appell, M.D., Blackburn, J.A., Rheiner, S.N., Berhow, M.A. 2011. The acrylation of glycerol: A precursor to functionalized lipids. Journal of the American Oil Chemists' Society. 89(4):713-719. DOI: 10.1007/s11746-011-1950-5. - Quantum chemical study of the structure and properties of citrinin-(Peer Reviewed Journal)
Appell, M.D., Moravec, D., Bosma, W.B. 2012. Quantum chemical study of the structure and properties of citrinin. Journal of Molecular Structure (Theochem). 38(4):284-292. - Study of the effect of surfactants on spectrofluorimetric analysis of zearalenone-(Peer Reviewed Journal)
Appell, M.D. 2011. Study of the effect of surfactants on spectrofluorimetric analysis of zearalenone. Luminescence. 131(11):2330–2334. - Enzymatically Synthesized Feruloyl Dioleoylglycerol: Antioxidant Behavior and Position in Phospholipid Vesicles-(Abstract Only)
Evans, K.O., Laszlo, J.A., Vermillion, K., Appell, M.D. 2011. Enzymatically synthesized feruloyl dioleoylglycerol: Antioxidant behavior and position in phospholipid vesicles [abstract]. Biophysics Society. Poster 2750. - NBO analysis and vibrational frequencies of tautomers of citrinin by density functional theory-(Abstract Only)
Appell, M.D., Moravec, D., Bosma, W.B. 2011. NBO analysis and vibrational frequencies of tautomers of citrinin by density functional theory. Meeting Abstract. - Removal of patulin from aqueous solutions by propylthiol functionalized SBA-15-(Peer Reviewed Journal)
Appell, M.D., Jackson, M.A., Dombrink Kurtzman, M. 2011. Removal of patulin from aqueous solutions by propylthiol functionalized SBA-15. Journal of Hazardous Materials. 187(1-3):150-156. - Feruloyl Dioleoyglycerol Antioxidant Capacity in Phospholipid Vesicles-(Peer Reviewed Journal)
Laszlo, J.A., Evans, K.O., Vermillion, K., Appell, M.D. 2010. Feruloyl dioleoyglycerol antioxidant capacity in phospholipid vesicles. Journal of Agricultural Food and Chemistry. 58:5842-5850. - Study of Cyclodextrin-Based Polymers to Extract Patulin from Apple Juice-(Abstract Only)
Appell, M.D., Jackson, M.A. 2010. Study of cyclodextrin-based polymers to extract patulin from apple juice [abstract]. American Chemical Society Meeting. #THA4. - Lipids for Health and Beauty: Enzymatic Modification of Vegetable Oil-(Abstract Only)
Laszlo, J.A., Evans, K.O., Compton, D.L., Appell, M.D., Vermillion, K. 2010. Lipids for health and beauty: Enzymatic modification of vegetable oil [abstract]. American Chemical Society. Presentation #100. p. 58. - Synthesis and Evaluation of Cyclodextrin-based Polymers for Patulin Extraction from Aqueous Solutions-(Peer Reviewed Journal)
Appell, M.D., Jackson, M.A. 2010. Synthesis and evaluation of cyclodextrin-based polymers for patulin extraction from aqueous solutions. Journal of Inclusion Phenomena and Macrocyclic Chemistry. 68(1-2):117-122. - Increased Selectivity in the Formation of the Phenoxy Ether of Methyl Lesquerolate over Chloroalkyl-modified SBA-15-SO3H Catalysts-(Peer Reviewed Journal)
Jackson, M.A., Appell, M.D. 2009. Increased selectivity in the formation of the phenoxy ether of methyl lesquerolate over chloroalkyl-modified SBA-15-SO3H catalysts. Applied Catalysis A: General. 373:90-97. - Investigation of Patulin and its Biosynthetic Precursors by Density Functional Methods-(Abstract Only)
Appell, M.D., Dombrink Kurtzman, M., Kendra, D.F. 2009. Investigation of Patulin and its Biosynthetic Precursors by Density Functional Methods [abstract]. American Chemical Society National Meeting. AGFD 228. - Effects of Cyclodextrins and Surfactants on the Fluorescence Detection of Mycotoxins-(Abstract Only)
Appell, M.D. 2009. Effects of Cyclodextrins and Surfactants on the Fluorescence Detection of Mycotoxins [abstract]. American Chemical Society. Abstract 8. p. 25. - Preface-(Book / Chapter)
Appell, M.D., Kendra, D.F., Trucksess, M.W. 2009. Preface. In: American Chemical Society Symposium Series, Mycotoxin Prevention and Control in Agriculture. Washington D.C.: American Chemical Society. pp. xi-xii. - A Closer Look at Cyclodextrins in Mycotoxin Analysis-(Book / Chapter)
Appell, M.D., Maragos, C.M. 2009. A Closer Look at Cyclodextrins in Mycotoxin Analysis. In: Appell, M., Kendra, D.F., Trucksess, M.W., editors. American Chemical Society Symposium Series 1031, Mycotoxin Prevention and Control in Agriculture. Washington D.C.: American Chemical Society. p. 293-305. - Influence of surfactants on the fluorescence detection of zearalenone-(Abstract Only)
Appell, M.D. 2009. Influence of surfactants on the fluorescence detection of zearalenone. Meeting Abstract. - Influence of Surfactants on the Fluorescence Detection of Zearalenone-(Abstract Only)
Appell, M.D. 2009. Influence of Surfactants on the Fluorescence Detection of Zearalenone [abstract]. American Chemical Society. p. 38. - Comparative study of patulin, ascladiol, and neopatulin by Density Functional Theory-(Peer Reviewed Journal)
Appell, M.D., Dombrink Kurtzman, M., Kendra, D.F. 2009. Comparative Study of Patulin, Ascladiol, and Neopatulin by Density Functional Theory. Journal of Molecular Structure: THEOCHEM. 894(1-3):23-31. - Synthesis and Evaluation of Imprinted Polymers for Selective Recognition of Fusaric Acid-(Abstract Only)
Appell, M.D. 2008. Synthesis and Evaluation of Imprinted Polymers for Selective Recognition of Fusaric Acid [abstract]. American Chemical Society. p. 63. - A closer look at cyclodextrins in mycotoxin analysis-(Abstract Only)
Appell, M.D., Maragos, C.M. 2008. A closer look at cyclodextrins in mycotoxin analysis. American Chemical Society Meeting. p. 44. - Density functional study of patulin at the B3LYP/6-311++G** level-(Abstract Only)
Appell, M.D. 2008. Density functional study of patulin at the B3LYP/6-311++G** level. American Chemical Society National Meeting. p. 29. - Phytotoxicity of trichothecenes using Arabidopsis detached leaf and Chlamydomonas assays-(Abstract Only)
Mc Cormick, S.P., Appell, M.D., Alexander, N.J., Desjardins, A.E. 2008. Phytotoxicity of trichothecenes using Arabidopsis detached leaf and Chlamydomonas assays [abstract]. American Chemical Society. Available: http://www.acs.org Paper #AGFD #145. - Enhancement of mycotoxin fluorescence with cyclodextrins, and analytical applications-(Abstract Only)
Maragos, C.M., Appell, M.D., Catucci, L., Lilppolis, V., Visconti, A., Pascale, M. 2007. Enhancement of mycotoxin fluorescence with cyclodextrins, and analytical applications [abstract]. Association Official Analytical Chemists Annual Intrl Meeting & Exposition. Paper No. S-604. - The use of cyclodextrins as modifiers of fluorescence in the detection of mycotoxins-(Peer Reviewed Journal)
Maragos, C.M., Appell, M.D., Lippolis, V., Visconti, A., Catucci, L., Pascale, M. 2008. The use of cyclodextrins as modifiers of fluorescence in the detection of mycotoxins. Journal of Food Additives & Contaminants. 25(2):164-171. - Enhancement of mycotoxin fluorescence with cyclodextrins, and analytical applications-(Abstract Only)
Maragos, C.M., Appell, M.D., Catucci, L., Lippolis, V., Visconti, A., Pascale, M. 2007. Enhancement of mycotoxin fluorescence with cyclodextrins, and analytical applications [abstract]. Association Official Analytical Chemists Annual Intrl Meeting & Exposition. p. S-604. - Structure-activity relationships of trichothecene toxins in an Arabidopsis thaliana leaf assay -(Peer Reviewed Journal)
Desjardins, A.E., Mc Cormick, S.P., Appell, M.D. 2007. Structure-activity relationships of trichothecene toxins in an Arabidopsis thaliana leaf assay. Journal of Agricultural and Food Chemistry. 55(16):6487-6492. - Study of the effects of cyclodextrins on the fluorescence detection of zearalenone-(Abstract Only)
Appell, M.D., Maragos, C.M. 2007. Study of the effects of cyclodextrins on the fluorescence detection of zearalenone [abstract]. Association Official Analytical Chemists Midwest Section. p. 1. - Ab Initio study of acetylated derivatives of deoxynivalenol and nivalenol-(Abstract Only)
Appell, M.D., Mc Cormick, S.P., Desjardins, A.E. 2007. Ab Initio study of acetylated derivatives of deoxynivalenol and nivalenol [abstract]. American Chemical Society. Available: http://www.acs.org Paper #AGFD #95. - Phytotoxicity of trichothecenes using an Arabidopsis detached leaf assay-(Abstract Only)
Mc Cormick, S.P., Desjardins, A.E., Appell, M.D. 2007. Phytotoxicity of trichothecenes using an Arabidopsis detached leaf assay [abstract]. American Chemical Society. Available: http://www.acs.org Paper AGFD #85. - Molecularly imprinted polymers for mycotoxins-(Book / Chapter)
Appell, M.D., Maragos, C.M., Kendra, D.F. 2008. Molecularly Imprinted Polymers for Mycotoxins. American Chemical Society Symposium Series. 1001:152-169. - CYCLODEXTRINS AS MODIFIERS OF MYCOTOXIN FLUORESCENCE-(Abstract Only)
Maragos, C.M., Appell, M.D., Pascale, M., Lippolis, V., Viscontia, A., Catucci, L. 2007. Cyclodextrins as modifiers of mycotoxin fluorescence [abstract]. International IUPAC Symposium on Mycotoxins and Phycotoxins. Abstract No. 1322. - Capillary electrophoresis of the mycotoxin zearalenone using cyclodextrin-enhanced fluorescence -(Peer Reviewed Journal)
Maragos, C.M., Appell, M.D. 2007. Capillary electrophoresis of the mycotoxin zearalenone using cyclodextrin-enhanced fluorescence. Journal of Chromatography A. 1143(1-2):252-257. - Investigation of imprinted polymers for the selective solid phase extraction of moniliformin-(Abstract Only)
Appell, M.D., Maragos, C.M., Kendra, D.F. 2006. Investigation of imprinted polymers for the selective solid phase extraction of moniliformin [abstract]. US Japan Joint Panel on Toxic Microorgnisms. Poster 1. - IODINE CATALYZED ESTERIFICATION OF CELLULOSE USING REDUCED LEVELS OF SOLVENT-(Peer Reviewed Journal)
Biswas, A., Selling, G.W., Appell, M.D., Woods, K.K., Willett, J.L., Buchanan, C.M. 2007. Iodine catalyzed esterification of cellulose using reduced levels of solvent. Carbohydrate Polymers. 68(3):555-560. - Investigation of imprinted polymers for the selective solid phase extraction of moniliformin-(Abstract Only)
Appell, M.D., Maragos, C.M., Kendra, D.F. 2006. Investigation of imprinted polymers for the selective solid phase extraction of moniliformin [abstract]. World Mycotoxin Forum, the Fourth Conference. p. 109. - STEPWISE HYDRATION OF CELLOBIOSE BY DFT METHODS: 1. CONFORMATIONAL AND STRUCTURAL CHANGES BROUGHT ABOUT BY THE ADDITION OF ONE TO FOUR WATER MOLECULES.-(Peer Reviewed Journal)
Bosma, W., Appell, M.D., Willett, J.L., Momany, F.A. 2006. Stepwise hydration of cellobiose by DFT methods: 1. Conformational and structural changes brought about by the addition of one to four water molecules. Journal of Molecular Structure (Theochem). 776:1-19. - STEPWISE HYDRATION OF CELLOBIOSE BY DFT METHODS: 2. ENERGY CONTRIBUTIONS TO RELATIVE STABILITIES OF CELLOBIOSE (H2O)1-4 COMPLEXES-(Peer Reviewed Journal)
Bosma, W., Appell, M.D., Willett, J.L., Momany, F.A. 2006. Stepwise hydration of cellobiose by DFT methods: 2. Energy contributions to relative stabilities of cellobiose (H2O)1-4 complexes. Journal of Molecular Structure (Theochem). 776:21-31. - CAPILLARY ELECTROPHORESIS AND FLUORESCENCE POLARIZATION FOR MYCOTOXIN ANALYSIS-(Abstract Only)
Maragos, C.M., Appell, M.D., Lippolis, V., Pascale, M., Visconti, A. 2006. Capillary electrophoresis and fluorescence polarization for mycotoxin analysis [abstract]. Mycological International Conference. p. 56. - SYNTHESIS AND EVALUATION OF MOLECULARLY IMPRINTED POLYMERS AS SORBENTS OF MONILIFORMIN-(Peer Reviewed Journal)
Appell, M.D., Kendra, D.F., Kim, E., Maragos, C.M. 2007. Synthesis and evaluation of molecularly imprinted polymers as sorbents of moniliformin. Journal of Food Additives & Contaminants. 24(1):43-52. - MOLECULARLY IMPRINTED POLYMERS FOR MYCOTOXINS-(Abstract Only)
Appell, M.D., Maragos, C.M., Kendra, D.F. 2006. Molecularly imprinted polymers for mycotoxins [abstract]. American Chemical Society National Meeting. - MATERIALS FOR BINDING MYCOTOXINS AND THEIR USE IN TOXIN DETECTION-(Abstract Only)
Maragos, C.M., Appell, M.D. 2006. Materials for binding mycotoxins and their use in toxin detection [abstract]. Association Official Analytical Chemists Annual Intrl Meeting & Exposition. S(401):58. - DEVELOPMENT OF IMPRINTED POLYMERS TO BIND MONILIFORMIN-(Abstract Only)
Appell, M.D., Kendra, D.F., Kim, E., Maragos, C.M. 2005. Development of imprinted polymers to bind moniliformin [abstract]. American Chemical Society Abstracts. Presentation No. 95. - DFT STUDY OF A- AND B-D-GALACTOPYRANOSE AT THE B3LYP/6-311++G** LEVEL OF THEORY-(Peer Reviewed Journal)
Momany, F.A., Appell, M.D., Willett, J.L., Schnupf, U., Bosma, W.B. 2006. DFT study of A- and B-D-galactopyranose at the B3lYP/6-311++G** level of theory. Carbohydrate Research. p.525-537. - COMPUTATIONAL STUDIES ON THE INFLUENCE OF SOLVENT ON THE CONFORMATIONAL PREFERENCES AND SELECTIVE RECOGNITION OF FUMONISINS-(Abstract Only)
Appell, M.D., Maragos, C.M., Kendra, D.F. 2005. Computational studies on the influence of solvent on the conformational preferences and selective recognition of fumonisins [abstract]. Proceedings of the 2005 Annual Multicrop Aflatoxin/Fumonisin Elimination & Fungal Genomics Workshop. p.59. - DFT STUDIES OF HYDRATED CARBOHYDRATES:EXPLICIT WATER MOLECULE AROUND GLUCOSE AND CELLOBIOSE GEOMETRY OPTIMIZED AT B3LYP/6-311++G**-(Abstract Only)
Momany, F.A., Willett, J.L., Appell, M.D., Bosma, W. 2005. DFT studies of hydrated carbohydrates:explicit water molecule around glucose and cellobiose geometry optimized at B3lYP/6-311++G** [abstract]. CD-ROM. International Chemical Congress of Pacific Basin. - STEPWISE HYDRATION OF A DISACCHARIDE: DFT CALCULATIONS OF STRUCTURAL AND ENERGETIC CHANGES AS 1 TO 4 WATER MOLECULES ARE ADDED TO B-CELLOBIOSE-(Abstract Only)
Bosma, W., Appell, M.D., Willett, J.L., Momany, F.A. 2005. Stepwise hydration of a disaccharide: DFT calculations of structural and energetic changes as 1 to 4 water molecules are added to b-cellobiose [abstract]. American Chemical Society. Paper No.94. - PROGRESS ON THE DEVELOPMENT OF MOLECULARLY IMPRINTED POLYMERS FOR MYCOTOXINS-(Abstract Only)
Maragos, C.M., Appell, M.D. 2005. Progress on the development of molecularly imprinted polymers for mycotoxins [abstract]. Association of Analytical Communities International Meeting Midwest Section. Book of Abstracts. p. 36. - B3LYP/6-311++G** GEOMETRY OPTIMIZATION STUDY OF PENTAHYDRATES OF ALPHA- AND BETA-D-GLUCOPYRANOSE-(Peer Reviewed Journal)
Momany, F.A., Appell, M.D., Willett, J.L., Bosma, W.B. 2005. B3lyp/6-311++g** geometry optimization study of pentahydrates of alpha- and beta-d-glucopyranose. Carbohydrate Research. 340:1638-1655. - DFT STUDY OF ALPHA- AND BETA-D-MANNOPYRANOSE ATTHE B3LYP/6-311++G** LEVEL-(Peer Reviewed Journal)
Appell, M.D., Willett, J.L., Momany, F.A. 2005. Dft study of alpha- and beta-d-mannopyranose at the b3lyp/6-311++g** level. Carbohydrate Research. 340:459-468. - ALTERNANSUCRASE ACCEPTOR REACTIONS WITH D-TAGATOSE AND L-GLUCOSE-(Peer Reviewed Journal)
Cote, G.L., Dunlap, C.A., Appell, M.D., Momany, F.A. 2005. Alternansucrase acceptor reactions with d-tagatose and l-glucose. Carbohydrate Research. 340:257-262. - CONFORMATIONAL ANALYSIS OF CHIRALLY-DEUTERATED TUNICAMYCIN AS AN ACTIVE SITE PROBE OF UDP-N-ACETYLHEXOSAMINE: POLYPRENOL-P-N-ACETYLHEXOSAMINE-1-P TRANSLOCASES-(Peer Reviewed Journal)
Xu, L., Appell, M.D., Kennedy, S., Momany, F.A., Price, N.P. 2004. Conformational analysis of chirally-deuterated tunicamycin as an active site probe of UDP-N-acetylhexosamine: polyprenol-p-N-acetylhexosamine-1-p translocases. Biochemistry. 43:13248-13255. - DENSITY FUNCTIONAL STUDY OF CELLOBIOSE HYDRATES-(Abstract Only)
Bosma, W.B., Appell, M.D., Willett, J.L., Momany, F.A. 2004. Density functional study of cellobiose hydrates [abstract]. American Chemical Society. p.189. - B3LYP/6-311++G**STUDY OF CONFORMATIONAL PREFERENCES AND THERMODYNAMIC PROPERTIES OF DISACCHARIDES-(Abstract Only)
Appell, M.D., Cote, G.L., Dunlap, C.A., Willett, J.L., Momany, F.A. 2004. B3lyp/6-311++g**study of conformational preferences and thermodynamic properties of disaccharides [abstract]. American Chemical Society. 189:413. - DENSITY FUNCTIONAL STUDY OF THE CHAIR FORMS OF ALPHA- AND BETA-D-ALLOPYRANOSE AT THE B3LYP/6-311++G** LEVEL.-(Abstract Only)
Appell, M.D., Willett, J.L., Momany, F.A. Density functional study of the chair forms of alpha- and beta-d-allopyranose at the b3lyp/6-311++g** level. Midwest Theoretical Chemistry Conference. 2004. {abstract} p. 16. - B3LYP/6-311++G**GEOMETRY OPTIMIZATION OF THE CHAIR FORMS OF ALPHA- AND BETA-D-MANNOPYRANOSE-(Abstract Only)
Appell, M.D., Willett, J.L., Momany, F.A. 2004. B3lyp/6-311++g**geometry optimization of the chair forms of alpha- and beta-d-mannopyranose. Computational Chemistry Gordon Research Conference. Abstract no. 4. - DFT STUDY OF HYDRATED CARBOHYDRATES: THE ELUSIVE HESSIAN-(Abstract Only)
Momany, F.A., Appell, M.D., Willett, J.L. 2004. Dft study of hydrated carbohydrates: the elusive hessian. {abstract} p. 147. - B3LYP/6-311++G** STUDY OF A-AND B-D-GLUCOPYRANOSE AND 1,5-ANHYDRO-GLUCITOL:4C1 AND 1C4 CHAIRS, 3,0B AND B3,0 BOATS, AND SKEW-BOAT CONFORMATIONS-(Peer Reviewed Journal)
Appell, M., Strati, G., Willett, J.L., Momany, F.A. 2004. B3LYP/6-311++G** study of z-and B-D-glucopyranose and 1,5-anhydro-D-glucitol:4C1 and 1C4 chairs, 3,0 B and B 3,0 boats, and skew-boat conformations. Carbohydrate Research. n. 339. p. 537-551. - B3LYP/6-311++G** STUDY OF MONOHYDRATES OF A- AND B-D-GLUCOPYRANOSE: HYDROGEN BONDING, STRESS ENERGIES, AND EFFECT OF HYDRATION ON INTERNAL COORDINATES-(Peer Reviewed Journal)
Momany, F.A., Appell, M., Strati, G., Willett, J.L. 2004. B3LYP/6-311++G** study of monomhydrates of x - and B-D glucopyranose; hydrogen bonding, stress energies, and effect of hydration of internal coordinates. Carbohydrate Research. n. 339. p. 553-567. - B3LYP/6-311++G** STUDIES ON CARBOHYDRATES:EFFECT OF EXPLICIT WATER MOLECULES ON THE CONFORMATION AND ENERGIES OF SELECTED MONO- AND DISACCHARIDES-(Abstract Only)
MOMANY, F.A., APPELL, M.D., WILLETT, J.L. B3LYP/6-311++G** STUDIES ON CARBOHYDRATES:EFFECT OF EXPLICIT WATER MOLECULES ON THE CONFORMATION AND ENERGIES OF SELECTED MONO- AND DISACCHARIDES. MIDWEST THEORETICAL CHEMISTRY CONFERENCE. 2003. Abstract p. 80. - B3LYP/6-311++G** STUDY OF THE BOAT FORMS OF ALPHA- AND BETA-GLUCOPYRANOSE AND ITS MONOSUBSTITUTED EPIMERS-(Abstract Only)
APPELL, M.D., MOMANY, F.A., WILLETT, J.L. B3LYP/6-311++G** STUDY OF THE BOAT FORMS OF ALPHA- AND BETA-GLUCOPYRANOSE AND ITS MONOSUBSTITUTED EPIMERS. MIDWEST THEORETICAL CHEMISTRY CONFERENCE. 2003. Abstract p. 103. - B3LYP/6-311++G** STUDIES ON HYDRATES OF CARBOHYDRATES:EFFECT OF EXPLICIT WATER MOLECULES ON THE CONFORMATION AND ENERGIES OF SELECTED MONO- AND DI-SACCHARIDES.-(Abstract Only)
MOMANY, F.A., APPELL, M.D., WILLETT, J.L. B3LYP/6-311++G** STUDIES ON HYDRATES OF CARBOHYDRATES:EFFECT OF EXPLICIT WATER MOLECULES ON THE CONFORMATION AND ENERGIES OF SELECTED MONO- AND DI-SACCHARIDES.. MEETING ABSTRACT. 2003. Abstract p. 80. - B3LYP/6-311++G** STUDY OF THE BOAT FORMS OF ALPHA- AND BETA-GLUCOPYRANOSE AND ITS MONOSUBSTITUTED EPIMERS.-(Abstract Only)
APPELL, M.D., MOMANY, F.A., WILLETT, J.L. B3LYP/6-311++G** STUDY OF THE BOAT FORMS OF ALPHA- AND BETA-GLUCOPYRANOSE AND ITS MONOSUBSTITUTED EPIMERS.MEETING ABSTRACT. 2003. Abstract p. 100. - B3LYP/6-311++G**STUDY OF THE BOAT CONFORMATIONS OF GLUCOSE-(Abstract Only)
APPELL, M.D., MOMANY, F.A., WILLETT, J.L. B3LYP/6-311++G**STUDY OF THE BOAT CONFORMATIONS OF GLUCOSE. AMERICAN CHEMICAL SOCIETY ABSTRACTS. 2003. Abstract p. 35.
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