Projects

INNOVATIVE MATERIALS FOR USE IN MYCOTOXIN DETECTION Appropriated (D)   Accession Number: 421048

Publications (Clicking on the reprint icon will take you to the publication reprint.)

Biochar: sustainable and versatile - (Book / Chapter) - (23-Apr-13)

Applications of Nanoporous Materials in Agriculture - (Book / Chapter) - (22-Apr-13)

Adsorption of mycotoxins in beverages onto functionalized mesoporous silicas - (Abstract Only) - (11-Apr-13)

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) - (03-Dec-12)

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. v. 5(1):1-8.

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) - (09-Jul-12)

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.

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.

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

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., 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. 73(1-4):349-357.

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** 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** 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 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.