Department of Chemistry

Faculty Research Publications


Pham, H.; Davis T. A. "Solvent-Assisted Diastereoselective TMSCN Additions to Cyclic α-Fluoroketones" Eur. J. Org. Chem. 2013, 3896-3900.

Bryant, P.; Davis, T. A.; Holman, R. W. "Interrelating Conjugation, Aromaticity, and the Acid-Base Chemistry of Aromatics via a Computational Question-Driven Exercise" The Chemical Educator, 2013, 18, 33-35.

P. Shahbazikhah; J.H. Kalivas "A Consensus Modeling Approach to Update a Spectroscopic Calibration", Chemometrics and Intelligent Laboratory Systems, 2013, 120, 142-153.

J. Ottaway; J. Farrell; J.H. Kalivas "Spectral Multivariate Calibration without Laboratory Prepared or Determined Reference Analyte Values" Analytical Chemistry, 2013, 85, 1509-1516.

F. Zhang; C. Sun; C. Bajracharya; R. G. Rodriguez; J. J. Pak "Fabrication and Characterization of Thin Film Solar Cell Made From CuIn0.75Ga0.25S2 Wurtzite Nanoparticles" Journal of Nanomaterials, 2013, Article ID 320375, 5 pages, 2013. doi:10.1155/2013/320375.


J. Farrell; K. Higgins; J.H. Kalivas "Updating a Near-Infrared Multivariate Calibration Model Formed with Lab-Prepared Pharmaceutical Tablet Types to New Tablet Types in Full Production" Journal of Pharmaceutical and Biomedical Analysis, 2012, 61, 114-121.

J.H. Kalivas "Overview of Two-norm (L2) and One-norm (L1) Regularization Variants for Full Wavelength or Sparse Spectral Multivariate Calibration Models or Maintenance" Journal of Chemometrics, 2012, 26, 218-230.


Goebel T. S.; McInnes, K. J.; Senseman S. A.; Lascano, R. J.; Marchand, l. S.; Davis, T. A. "Modifying Polymer Flocculants for the Removal of Inorganic Phosphate from Water" Tetrahedron Lett. 2011, 52, 5241-5244.

L. M. Goss; W. Hess; T. Blake; R. Sams "The high-resolution, jet-cooled infrared spectrum of pentafluoroethane" Journal of Molecular Spectroscopy, 2011, 265, 81-85.

M.R. Kunz; J. Ottaway; J.H. Kalivas; C.A. Georgiou; G.A. Mousdis "Updating a Synchronous Fluorescence Spectroscopic Virgin Olive Oil Adulteration Calibration to a New Geographical Region", Journal of Agricultural and Food Chemistry, 2011, 59, 1051-1057.

P. Whitham; D. P. Strommen; L. D. Lau; R. G. Rodriguez "Thin Film Growth of Germanium Selenides from PECVD of GeCl4 and Dimethyl Selenide" Plasma Chem. Plasma Proc., 2011, 31(2), 251.

J. M. Teixeira; R.W. Holman "The Question-Guided Data-Driven Lecture: A New Approach Applied to the Presentation of the Principles Associated with SN2, SN1, E1, and E2 Reactions" Chem. Educator, 2011, 16, 1-3 1.

T. Hallaq; R.W. Holman "Podcasts for Pre-laboratory Student preparation in Organic Chemistry: A Recipe for Collaboration with University media Specialists" Chem. Educator, 2011, 16, 152-154.

C. Sun; R. D. Westover; G. Long; C. Bajracharya; J. Harris; A.Punnoose; R.G. Rodriguez; J. J. Pak* "A Large-Scale Synthesis and Characterization of Quaternary CuInxGa1-xS2 Chalcopyrite Nanoparticles via Microwave Batch Reactions" Int. J. Chem. Eng., 2011, Article ID 545234.


Malamakal, R.M.; Hess, W.R.; Davis, T.A. "Highly Efficient Diastereoselective Reduction of α-Fluoroimines" Org. Lett. 2010, 12, 2186-2189.

Yin, H.; Davis, T.A.; Porter, N.A. "Development of Novel LC/MS/MS Methodologies for the Quantification of Peroxidation Products Derived from Arachidonic Acid" Methods Molecular Biology, 2010, 610, 375-386.

C. Sun; R. D. Westover; K. R. Margulieux; L. N. Zakharov; A. W. Holland*; J. J. Pak*; "Divergent Syntheses of Cu-In Bimetallic Single Source Precursors via Thiolate Ligand Exchange" Inorganic Chemistry, 2010, 4756-4758.

C. Sun; J. S. Gardner; G. Long; C. Bajracharya; A. Thurber; A. Punnoose; R. G. Rodriguez*; J. J. Pak* "Controlled Stoichiometry for Quaternary CuInxG1-xS2 Chalopyrite Nanoparticles from Single Source Precursors via Microwave Irradiation" Chem. Mat., 2010, 2699-2701.

K. R. Margulieux; C. Sun; L. N. Zakharov; A. W. Holland*; J. J. Pak* "Step-Wise Introduction of Thiolates in Copper Indium Binuclear Complexes" Inorganic Chemistry, 2010, 49(9), 3959-3961.

J. Byers; M. Perez; J.M. Teixeira; R.W. Holman "The Question-Driven Laboratory Exercise: A New Pedagogy applied to a Green Modification of Grignard Formation/Reaction" Journal of Chemical Education, 2010, 87(7), 714-716.


Xu, L.; Davis, T. A.; Porter, N. A. "Rate Constants for Peroxidation of Polyunsaturated Fatty Acids and Sterols in Solution and in Liposomes" J. Am. Chem. Soc., 2009, 131, 13037-13044.

C. Sun; J. S. Gardner; E. Shurdha; K. R. Margulieux; R. D. Westover; L. Lau; G. Long; C. Bajracharya; C. Wang; A.Thurber; A. Punnoose; R. G. Rodriguez*; J. J. Pak "A high yield synthesis of chalcopyrite CuInS2 nanoparticles with exceptional size control" *, J. Nanomat. 2009, 748567.

P. Paviet-Hartmann*; A. N. Gomez-Aleixandre; J. Pak; A. G. Espartero; F. Poineau; A. Wright, E. Mausolf; K.R. Czerwinski "Extraction of Technetium as [Tc(II)(NO)(AHA)2H2O]+ Species in the UREX Process" Proceedings of the 17th International Conference on Nuclear Engineering, 2009, ICONE 17- 75509.

Rosentreter J. J.; Koirala, B. "Examination of Prehistoric Artifacts via Fatty Acid Methyl Ester Techniques Using Modern Environmental Stewardship" Journal of Archaeological Science, 2009, 36, 1229-1242.


K. R. Seipel; Z. H. Platt; M. Nguyen; A. W. Holland "Microwave-Assisted Synthesis of Phenylene-Bridged Amino-Phosphine Ligands: Acceleration of N-Arylation and Aryl Fluoride Phosphorylation Reactions." Org. Chem., 2008, 73, 4291-4294.

J.H. Kalivas "An Elementary School Service Learning Project Based on a Research Supportive Curriculum Format in the General Chemistry Laboratory" Journal of Chemical Education, 2008, 85, 1410-1415.

Gardner, J.S.; Shurdha, E.; Lau, L.D.; Wang, C.; Rodriguez, R.G.; Pak, J. J. "Rapid and Size Control Synthesis of CuInS2 Nanoparticles via Microwave Irradiation" Nanoparticle Research, 2008, 10(4), 633-641.

R.W. Holman; J. Texiera "A Simple Assignment Designed to Enhance Organic Chemistry Students Ability to Solve Synthesis Problems and Understand Mechanisms," Journal of Chemical Education, 2008, 85, 1,88-89.

Rosentreter, J.J.; Mc Alexander, M. "Photocatalytic Oxidation of Aqueous Trichloroethylene Using Dye Sensitized Buoyant Photocatalyst Monitored via Micro-Headspace Solid-Phase Microextration Gas Chromatography/Electron Capture Detection and Mass Spectrometry" Microchem Journal, 2008, 88, 38-44.


F. Stout; J.H. Kalivas; K. Heberger "Wavelength Selection for Multivariate Calibration Using Tikhonov Regularization" Applied Spectroscopy, 2007, 61, 85-95.

J.H. Kalivas "Progression of Chemometrics in Research Supportive Curricula" in Active Learning: Models from the Analytical Sciences, ACS Symposium Series 970, editor P.A. Mabrouk, Oxford University Press, 2007.

R. Rodriguez; S. Mezyk; C. Stewart; H. Rollins; B. Mincher; R. Fox; B. Phillips; R. Brey "Thermal Lensing in a Supercritical Water Medium", J. Phys. Chem. A, 2007, 111(3), 468-471.

Rosentreter, J.J.; Timofeyenko, Yegor G.; Mayo, S. "Piezoelectric Quartz Crystal Microbalance Sensor for Trace Aqueous Cyanide Ion Detection" Analytical Chemistry, 2007, 79(1), 251-255.


K. E. Elwell; C. Hall; S. Thaker; Y. Giraud; B. L. Bennett; C. Bae; S. W. Carper "A fluorine containing bipyridine Cisplatin analog is more effective than Cisplatin at inducing apoptosis in cancer cell lines" Bioorganic & Medicinal Chemistry, 2006, 14(24), 8692.

B. L. Bennett; K. A. Robins; R. Tennant; K. Elwell; F. Ferri; I. Bashta; G. Aguinaldo "Fluorous Modification of 2,2'-Bipyridine", Journal of Fluorine Chemistry, 2006, 127(1), 140.

T.A. Elmaaty; L.W. Castle "The First Synthesis of bis-Fused 1,10-Phenanthrolines via Double Photocyclization of N,N-Disubstituted o-Phenylenediamine," Synthesis, 2006, 9, 1402-1404.

L.W. Castle; T.A. Elmaaty "A New Methode for the Synthesis of Indeno[1,2-b]thiophene with Subsequent Ring Exspansion to form Substituted Thieno[3,2-c]quinolone" J. Heterocycl. Chem., 2006, 43(3), 629.

Davis, T.A.; Gao, L.; Yin, H.; Morrow, J. D.; Porter, N.A. "In vivo and in vitro Lipid Peroxidation of Arachidonate Esters: The Effect of Fish Oil w-3 Lipids on Product Distribution" J. Am. Chem. Soc, 2006, 128, 14897-14904.

T. Christian; C. Evilia; Y.M. Hou "Catalysis by the second class of tRNA(m1G37) methyl transferase requires a conserved proline" Biochemistry, 2006, 45, 7463-7.

C. Evilia; Y.M. Hou "Acquisition of an insertion peptide for efficient aminoacylation by a halophile tRNA synthetase" Biochemistry, 2006, 45, 6835-45.

F. Stout; J.H. Kalivas "Tikhonov Regularization in Standard and General Form for Multivariate Calibration with Applications Towards Removing Unwanted Spectral Artifacts" Journal of Chemometrics, 2006, 20, 22-33.

F. Stout; M.R. Baines; J.H. Kalivas "Impartial Graphical Comparison of Multivariate Calibration Methods and the Harmony/Parsimony Tradeoff" Journal of Chemometrics, 2004, 20, 464-475

R.G. Rodriguez; D.J.V. Pulsipher; L.D. Lau; E. Shurdha; J.J. Pak; M.H. Jin; K.K. Banger; A.F. Hepp "Pulsed-Spray Radiofrequency PECVD of CuInS2 Thin Films," Plasma Chemistry and Plasma Processing, 2006, 26(2), 137-148.

E. Shurdha; J.L. Mayo; J.J. Pak "Facile synthesis of 4,4',5,5'-tetraiododibenzo-24-crown-8 and its highly conjugated derivatives" Tetrahedron Letters, 2006, 47, 233-237.

A. Ruhter; R. Rodriguez; B. Mincher; R. Brey, "Continuous flow PCB radiolysis with real time assessment by gas chromatography" Applied Rad. and Isotope, 2006, 64(5), 532.

D. W. Slocum; A. Carroll; P. Dietzel; S. Eilerman; J. P. Culver; B. McClure; S. Brown; R. W. Holman "Metalations in Hydrocarbon Solvents; Media Effects on n-BuLi Reactivity" Tetrahedron Letters 2006, 47, 6, 865-868.

R.W. Holman "A recipe for an Academic-Industrial Partnership" Council on Undergraduate Research, 2006, CUR Quarterly, vol. XXVI.

Rosentreter, J.J.; Lohse, S. "Photooxidation of Aqueous Trichloroethylene using a Buoyant Photocatalyst with Reaction Progress Monitored via Micro-Headspace GC/MS" Microchem Journal, 2006, 82, 66-72.


D. W. Emerson; B. L. Bennett; S. M. Steinberg "A One Pot Synthesis of Bis(?-Fluoroalkyl) and Alkyl Disulfides" Synthetic Communications, 2005, 35, 631.

T.A. Elmaaty; L.W. Castle "Facile Regiocontrolled Synthesis of Trialkylsubstituted Pyrazines" Organic Lett., 2005, 7(24), 5529-5530.

T.A. Elmaaty; L.W. Castle "Chromate Oxidation of a-Nitro Alcohols to a-Nitro Ketones: Significant Improvement to a Classic Method" Molecules, 2005, 10, 1458-1461.

"Chelation-Controlled Reductions of α-Fluoroketones" Mohanta, P. K.; Davis, T. A.; Gooch, J. R.; Flowers, R. A., II J. Am Chem. Soc. 2005, 127, 11896-11897.

Davis, T. A.; Chopade, P.; Flowers, R. A."Reduction of β-Hydroxyketones by SmI2/Et3N/H2O" II. Org. Lett. 2005, 7, 119-122.

A. W. Holland; G. T. Li; A. M. Shahin; G J. Long; A. T. Bell; T. D. Tilley "New Fe/SiO2 Materials Prepared Using Molecular Precursors: Synthesis, Characterization, and Catalysis" J. Catal. 2005, 235-1, 150-163.

B. Mincher; R. Rodriguez; R. Brey; A. Ruhter "PCB Radiolysis in a Continuous Flow Cell" in Photocatalytic Oxidation Processes for Treatment of Air, Water, Soil, and Surfaces, Edited by David Ollis and Hussain Al-Ekabi, Copyright Redox Technologies, 2005, 318-323.

R. W. Holman "An Alternative Means to Supplement a Physical Science Department Budget," American Council on Education, Department Chair Online Resource Center, 2005.

R. W. Holman "Strategic Applications of Named Reactions in Organic Synthesis: Background and Detailed Mechanisms," invited review, J. Chem. Ed.; 2005, 82, 12, 1780-1783.

S. R. Clingenpeel; W. K. Keener; C. R. Keller; K. De Jesus; M. H. Howard; M. E. Watwood "Activity-dependent Fluorescent Labeling of Bacterial Cells Expressing the TOL Pathway" Journal of Microbiological Methods, 2005, 60, 41-46.

Rosentreter, J.J.; Lohse, S. "Investigation of Trichloroethylene Photo oxidation utilizing Photocatalyst-coated Buoyant Microspheres and Simulated Solar Radiation" Extended Abstract, pp 1053-6, Applied Spectroscopy-Analytical Chemistry, 2005.


J.H. Kalivas; J.B. Forrester; H.A. Seipel "QSAR Modeling Based on the Bias/Variance Compromise: A Harmonious Approach" Journal of Computer-Aided Molecular Design, 2004, 18, 537-547.

Chopade, P.; Davis, T.A.; Prasad, E.; Flowers, R.A. "Solvent Dependent Diastereoselectivities in Reductions of β-Hydroxyketones by SmI2" II Org. Lett. 2004, 6, 2685-2688.

T. Christian; C. Evilia; S. Williams; Y.-M. Hou "Distinct Evolution of tRNA(m1G37) Methyltransferase," Journal of Molecular Biology, 2004, 339, 707-719.

B. Phillips; R. Rodriguez; L. Lau; S. Steidley "Effect of Showerhead Geometry on Deposition of Silicon Nitride Thin Films" Plasma Chem. Plasma Proc., 2004, 24, 307.

L. M. Goss; C. D. Mortensen; T. A. Blake; "Rotationally Resolved Spectroscopy of the n8 Band of cis-Methyl Nitrite" Journal of Molecular Spectroscopy, 2004, 225(2), 182-188.

R. W. Holman "Structures and Properties of Gas-Phase Organic Ions: Halonium and Halenium Ions," an invited Book Chapter in the Encyclopedia of Mass Spectrometry, Pergamon Press, Oxford. Editor Nico Nibbering. 2004.

R. W. Holman "Organic Chemistry as a Second Language: Translating the Basic Concepts," invited review, J. Chem. Ed.; 2004, 81, 1717.


V. J. Catalano; B. L. Bennett; M. A. Malwitz; R. L. Yson; H. M. Kar; S. Muratidis; S. J. Horner, "Metallocryptands: Host Complexes for Probing Closed-Shell Metal-Metal Interactions" Comments on Inorganic Chemistry, 2003, 24(1), 39.

B. L. Bennett; S. White; B. Hodges; D. Rodgers; A. Lau; D. M. Roddick "(Fluoroalkyl)phosphine Complexes of Nickel(0) and Cobalt(I)" Journal of Organometallic Chemistry, 2003, 679(1), 65.

C. Evilia; X. Ming; S. DasSarma; Y.-M. Hou "Aminoacylation of an Unusual tRNACys from an Extreme Halophile" RNA, 2003, 9, 794-801.

R. S. A. Lipman; O. Vitseva; C. Evilia; Y.-M. Hou "The Archaeal Prolyl-Cysteinyl-tRNA Synthetase is Associated with a Multifunction Protein: Implication for a Multi-Synthetase Complex in Archaea,", Biochemistry 2003, 42, 7487-7496,.

J.M. Clark; K.A. Daum; J.H. Kalivas "Demonstrated Potential of Ion Mobility Spectrometry for Detection of Adulterated Perfumes and Plant Speciation", Analytical Letters, 2003, 36, 215-244.

J.J. Pak; O.S. Darwish; T.J.R. Weakley; M.M. Haley "Synthesis and crystallographic characterization of a 'palladadehydrobenzo[19]annulene'," J. Organomet. Chem., 2003, 683(2), 430-434.

L. M. Goss "A Demonstration of Acid Rain and Lake Acidification: Wet Deposition of Sulfur Dioxide," Journal of Chemical Education, 2003, 80, 39-40.

R.W. Holman "Foundations of Organic Chemistry: Worked Examples," an invited review; J. Chem. Ed.; 2003, 80(2), 149 - 150.

R.W. Holman; J. Davis; A. Groves; M. McCombs; G. Jackson; S. Sullivan; M.L. Gross "An Investigation of Gaseous α-Halogenated Carbocations versus Halonium, Halenium, and Allylhalonium Ions," Aust. J. Chem. 2003, 56, 5, 437.

C. Harrison; G. Jackson; R. LaMastus; P. Shelton; A. Walstrom; J.M. Wilcox; D.W. Slocum; R.W. Holman "Metalation in Hydrocarbon Solvents: The Mechanistic Aspects of Substrate Promoted ortho-Metalations," Tetrahedron, 2003, 59, 8275 - 8284.

R. W. Holman "The Art of Writing Reasonable Reaction Mechanisms," an invited review, J. Chem. Ed.; 2003, 80, 1259.

D. B. Kimball; R. Michalczyk; E. Moody; M. Ollivault-Shiflett; K. De Jesus; L. A. "Pete" Silks III; "Determining the Solution State Geometry of a Ti Enolate via Stable Isotope Labeling, NMR Spectroscopy and Modeling Studies", J. Am. Chem. Soc., 2003, 125(48), 14666-14667.

Rosentreter, J.J.; Swanson, Shawn; Knobel, L.L. Geochemistry of the Birch Creek Drainage Basin. Water Resource Investigations, 2003, 03-4272.


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