Submissions from 2017


Catalytic Effect of Solvent Vapors on the Spontaneous Formation of Caffeine–Malonic Acid Cocrystal, Canran Ji, Mikaila C. Hoffman, and Manish A. Mehta


Music and materials: Art and science of organ pipe metal, Catherine M. Oertel and Annette Richards


Selection of DNA Aptamers for Ovarian Cancer Biomarker CA125 Using One-Pot SELEX and High-Throughput Sequencing, Delia J. Scoville, Tae Kyu Brian Uhm, Jamie A. Shallcross, and Rebecca J. Whelan

Gas Phase Oxidation of Campholenic Aldehyde and Solution Phase Reactivity of its Epoxide Derivative, William C. Thomas, William D. Dresser, Diego A. Cortes, and Matthew J. Elrod


A C-13 solid-state NMR investigation of four cocrystals of caffeine and theophylline, Nicolas J. Vigilante and Manish A. Mehta

Submissions from 2016

Microwave spectra for the three C-13(1) isotopologues of propene and new rotational constants for propene and its C-13(1) isotopologues, Norman C. Craig, Peter Groner, Andrew R. Conrad, Ranil Gurusinghe, and Michael J. Tubergen

Modulation of oxidative stress and subsequent induction of apoptosis and endoplasmic reticulum stress allows citral to decrease cancer cell proliferation, Arvinder Kapur, Mildred Felder, Lucas Fass, Justanjot Kaur, Austin Czarnecki, Kavya Rathi, San Zeng, Kathryn Kalady Osowski, Colin Howell, May P. Xiong, Rebecca J. Whelan, and Manish S. Patankar


Supramolecular Assembly of Tris(4-carboxyphenyl)arenes: Relationship between Molecular Structure and Solid-State Catenation Motifs, Holden W.H. Lai, Ren A. Wiscons, Cassandra A. Zentner, Matthias Zeller, and Jesse L.C. Rowsell

Forensic Chemistry and Its Flip Side, Robert Q. Thompson

Instrumental Investigations: A Laboratory Manual of Forensic Analytical Chemistry, Robert Q. Thompson

Submissions from 2015

Selection of DNA aptamers for ovarian cancer biomarker HE4 using CE-SELEX and high-throughput sequencing, Rachel M. Eaton, Jamie A. Shallcross, Liora E. Mael, Kepler S. Mears, Lisa Minkoff, Delia J. Scoville, and Rebecca J. Whelan

Orientational ortho−H2 pair interactions in the microporous framework MOF-5, Stephen FitzGerald, Christopher T. Eckdahl, Cooper S. McDonald, Jocienne N. Nelson, Kai Shinbrough, Holden W.H. Lai, and Jesse L.C. Rowsell


Insights into the Anomalous Vibrational Frequency Shifts of CO 2 Adsorbed to Metal Sites in Microporous Frameworks, Stephen FitzGerald, Jennifer M. Schloss, Christopher J. Pierce, Benjamin Thompson, Jesse L.C. Rowsell, Kuang Yu, and J. R. Schmidt

Hydroxylamine catalyzed Nazarov cyclizations of divinyl ketones, Joseph Z. Hamilton, Nathaniel T. Kadunce, Michael D. McDonald, Laura Rios, and Albert Matlin


Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s-trans - and s-gauche -1,3-Butadiene, Sergey V. Krasnoshchekov, Norman C. Craig, Praveenkumar Boopalachandran, Jaan Laane, and Nikolay F. Stepanov


Organosulfate and Nitrate Formation and Reactivity from Epoxides Derived from 2-Methyl-3-buten-2-ol, Liora E. Mael, Michael I. Jacobs, and Matthew J. Elrod


Assessing the Potential for the Reactions of Epoxides with Amines on Secondary Organic Aerosol Particles, Santino J. Stropoli and Matthew J. Elrod


Homocapsaicin: It’s NOT the 7-ene-9-methyl isomer, Robert Q. Thompson

Selection of Aptamers for Ovarian Cancer Biomarkers Informed by Next-Generation Sequencing and Bioinformatics, Rebecca J. Whelan


Selection of DNA aptamers for an ovarian cancer cell line using high-throughput sequencing (Abstract POSTER-THER-1429), Rebecca J. Whelan, Arvinder Kapur, Mildred Felder, Jamie A. Shallcross, Jeff Nie, and Manish S. Patankar


Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction, Ren A. Wiscons, Matthias Zeller, and Jesse L.C. Rowsell

Submissions from 2014

Effects of Structural Differences on the NMR Chemical Shifts in Isostructural Dipeptides, Benjamin D. Altheimer and Manish A. Mehta

Catechol-based coatings inspired by melanin as colorimetric metal-ion sensors, Jason M. Belitsky

Colorimetric metal ion binding of catechol-based coatings inspired by melanin and molecular imprinting, Jason M. Belitsky, Diane S. Lye, Haley R. Gittleman, Thomas A. Gorlin, Arthur N. Gorham, Christine A. Moore, Matthew B. Chaves, and Micah Z. Ellowitz

Mechanistic study of secondary organic aerosol components formed from nucleophilic addition reactions of methacrylic acid epoxide, Adam W. Birdsall, C. R. Miner, Liora E. Mael, and Matthew J. Elrod

Charles M. Hall's patent for refining aluminum metal by electrolysis, Norman C. Craig


Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-2-d1 and -3-d1, Norman C. Craig, Yihui Chen, Herman van Besien, and Thomas A. Blake

Weak Acidity of Vinyl CH Bonds Enhanced by Halogen Substitution, Norman C. Craig and Albert Matlin

Helical ∞ 1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2, Clay C. Easterday, Liv R. Dedon, Matthias Zeller, and Catherine M. Oertel


MUC16 (CA125): tumor biomarker to cancer therapy, a work in progress, Mildred Felder, Arvinder Kapur, Jesus Gonzalez-Bosquet, Sachi Horibata, Joseph Heintz, Ralph M. Albrecht, Lucas Fass, Justanjot Kaur, Kevin Hu, Hadi Shojaei, Rebecca J. Whelan, and Manish S. Patankar

Infrared overtone spectroscopy of adsorbed hydrogen in MOF-5, Stephen FitzGerald, Jocienne N. Nelson, Elizabeth Gilmour, and Jesse L. Rowsell

Kinetics of the reactions of isoprene-derived hydroxynitrates: gas phase epoxide formation and solution phase hydrolysis, Michael I. Jacobs, W. J. Burke, and Matthew J. Elrod

Monitoring Co-Crystal Formation via In Situ Solid-State NMR, Venkata S. Mandala, Sarel J. Loewus, and Manish A. Mehta

Submissions from 2013

Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid, Benjamin D. Altheimer, Silvina Pagola, Matthias Zeller, and Manish A. Mehta

Study of the kinetics and equilibria of the oligomerization reactions of 2-methylglyceric acid, Adam W. Birdsall, Cassandra A. Zentner, and Matthew J. Elrod

Kinetics and Thermodynamics of Atmospherically Relevant Aqueous Phase Reactions of α-Pinene Oxide, Dylan B. Bleier and Matthew J. Elrod

Determination of trace level cadmium in SRM 3280 multivitamin/multielement tablets via isotope dilution inductively coupled plasma mass spectrometry, Steven J. Christopher and Robert Q. Thompson

Microwave Spectra of the Deuterium Isotopologues of cis-Hexatriene and a Semiexperimental Equilibrium Structure, Norman C. Craig, Yihui Chen, Hannah A. Fuson, Hengfeng Tian, Herman van Besien, Andrew R. Conrad, Michael J. Tubergen, Heinz Dieter Rudolph, and Jean Demaison

Analysis of the rotational structure in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-1-d1 and trans,trans-1,4-difluorobutadiene-1,4-d2, Norman C. Craig, Yihui Chen, Yuhua Lu, Christopher F. Neese, Deacon J. Nemchick, and Thomas A. Blake

Highly Selective Quantum Sieving of D2 from H2 by a Metal–Organic Framework As Determined by Gas Manometry and Infrared Spectroscopy, Stephen Fitzgerald, Christopher J. Pierce, Jesse L.C. Rowsell, Eric D. Bloch, and Jarad A. Mason

Criteria for Spontaneous Processes Derived from the Global Point of View, Eric A. Gislason and Norman C. Craig

Rate Constants and Products of the OH Reaction with Isoprene-Derived Epoxides, Michael I. Jacobs, Adam I. Darer, and Matthew J. Elrod

Anharmonic Vibrational Analysis of the Gas-Phase Infrared Spectrum of 1,1-Difluoroethylene Using the Operator Van Vleck Canonical Perturbation Theory, Sergey V. Krasnoshchekov, Norman C. Craig, and Nikolay F. Stepanov


Computational Study of the Cyclization of 5-Hexenyl, 3-Oxa-5-hexenyl and 4-Oxa-5-hexenyl Radicals, Albert Matlin and Matthew C. Leyden

Novel separation for the determination of cadmium by isotope dilution ICP-MS in samples containing high concentrations of molybdenum and tin, Robert Q. Thompson and Steven J. Christopher

Submissions from 2012


Small molecule modulators of aggregation in synthetic melanin polymerizations, Jason M. Belitsky, Micah Z. Ellowitz, Diane S. Lye, and Alexander L. Kilbo

Gas-Phase Raman Spectra of s-trans- and s-gauche-1,3-Butadiene and Their Deuterated Isotopologues, Praveenkumar Boopalachandran, Norman C. Craig, and Jaan Laane

Rotational analysis of bands in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d1, Norman C. Craig, Clay C. Easterday, Deacon J. Nemchick, Drew F.K. Williamson, and Robert L. Sams

Do-It-Yourself Experiments for the Instructional Laboratory, Norman C. Craig and Cortland S. Hill

Analysis of the Rotational Structure in the High-Resolution Infrared Spectrum of trans-Hexatriene-1-13C1: A Semiexperimental Equilibrium Structure for the C6 Backbone of trans-Hexatriene, Norman C. Craig, Hengfeng Tian, and Thomas A. Blake

Semiexperimental Equilibrium Structures for the Equatorial Conformers of N-Methylpiperidone and Tropinone by the Mixed Estimation Method, Jean Demaison, Norman C. Craig, Emilio J. Cocinero, Jens-Uwe Grabow, Alberto Lesarri, and Heinz Dieter Rudolph

Semiexperimental Equilibrium Structure of the Lower Energy Conformer of Glycidol by the Mixed Estimation Method, Jean Demaison, Norman C. Craig, Andrew R. Conrad, Michael J. Tubergen, and Heinz Dieter Rudolph


Terpenoids from Zingiber officinale (Ginger) Induce Apoptosis in Endometrial Cancer Cells through the Activation of p53, Yang Liu, Rebecca J. Whelan, Bikash R. Pattnaik, Kai Ludwig, Enkateswar Subudhi, Helen Rowland, Nick Claussen, Noah Zucker, Shitanshu Uppal, and David M. Kushner


Melanin-Based Coatings as Lead-Binding Agents, Karin Sono, Diane S. Lye, Christine A. Moore, W. Christopher Boyd, Thomas A. Gorlin, and Jason M. Belitsky

Submissions from 2011

Melanin Molecular Recognition, Jason M. Belitsky

Melanin Molecular Recognition (abstract), Jason M. Belitsky


Comprehensive NO-Dependent Study of the Products of the Oxidation of Atmospherically Relevant Aromatic Compounds, Adam W. Birdsall and Matthew J. Elrod

Gas-phase Raman Spectra And The Potential Energy Function For The Internal Rotation Of 1,3-butadiene And Its Isotopologues, Praveenkumar Boopalachandran, Norman C. Craig, Peter Groner, and Jaan Laane

Gas-phase Raman Spectra Of Hot Bands Of Fundamentals And Combinations Associated With The Torsional Vibration Of S-trans-1,3-butadiene And Its Deuterated Isotopologues, Praveenkumar Boopalachandran, Norman C. Craig, and Jaan Laane

Formation And Stability Of Atmospherically Relevant Isoprene-derived Organosulfates And Organonitrates, Adam I. Darer, Neil C. Cole-Filipiak, Alison E. O'Connor, and Matthew J. Elrod

Semiexperimental Equilibrium Structure For Cis,trans-1,4-difluorobutadiene By The Mixed Estimation Method, Jean Demaison and Norman C. Craig

Kinetics Study Of The Aromatic Bicyclic Peroxy Radical Plus No Reaction: Overall Rate Constant And Nitrate Product Yield Measurements, Matthew J. Elrod

Ab Initio Coupled Cluster Determination Of The Equilibrium Structures Of Cis- And Trans-1,2-difluoroethylene And 1,1-difluoroethylene, David Feller, Norman C. Craig, Peter Groner, and Donald C. McKean


Metal-Specific Interactions of H2 Adsorbed within Isostructural Metal–Organic Frameworks, Stephen FitzGerald, Brian Burkholder, Michael Friedman, Jesse B. Hopkins, Christopher J. Pierce, Jennifer M. Schloss, Benjamin Thompson, and Jesse Rowsell

The "global" Formulation Of Thermodynamics And The First Law: 50 Years On, Eric A. Gislason and Norman C. Craig

Thermodynamics And Kinetics Of The Hydrolysis Of Atmospherically Relevant Organonitrates And Organosulfates, K. S. Hu, Adam I. Darer, and Matthew J. Elrod

Melanin-based Coatings For Environmental Applications, Diane S. Lye, Christine A. Moore, Micah Z. Ellowitz, and Jason M. Belitsky

Volatile And Semivolatile Compounds In Gray Catbird Uropygial Secretions Vary With Age And Between Breeding And Wintering Grounds, Clara L. Shaw, Jordan E. Rutter, Amy L. Austin, Mary C. Garvin, and Rebecca J. Whelan


Applications Of Argentation Solid Phase Extraction To The Capsaicinoids: Purification Of Commercial Standards And Isolation Of Homodihydrocapsaicin (8-methyl) From 'bhut Jolokia', Robert Q. Thompson and Kathleen Loa

Submissions from 2010


Aryl Boronic Acid Inhibition Of Synthetic Melanin Polymerization, Jason M. Belitsky

Investigation Of The Role Of Bicyclic Peroxy Radicals In The Oxidation Mechanism Of Toluene, Adam W. Birdsall, John F. Andreoni, and Matthew J. Elrod

Kinetics of the hydrolysis of atmospherically relevant isoprene-derived hydroxy epoxides, Neil C. Cole-Filipiak, Alison E. O'Connor, and Matthew J. Elrod


A Reevaluation Of The Assignment Of The Vibrational Fundamentals And The Rotational Analysis Of Bands In The High-resolution Infrared Spectra Of Trans- And Cis-1,3,5-hexatriene, Norman C. Craig, Matthew C. Leyden, Michael C. Moore, Amie K. Patchen, Titus van den Heuvel, Thomas A. Blake, Tony Masiello, and Robert L. Sams

Quantum dynamics of adsorbed normal- and para-H2, HD, and D2 in the microporous framework MOF-74 analyzed using infrared spectroscopy, Stephen FitzGerald, Jesse B. Hopkins, Brian Burkholder, Michael Friedman, and Jesse L.C. Rowsell

Differential effects of Phe19 and Phe20 on fibril formation by amyloidogenic peptide AB16-22 (Ac-KLVFFAE-NH2), Hideyo Inouye, Katherine A. Gleason, Sean M. Decatur, and Daniel A. Kirschner

Synthesis And Structures Of Pb3O2(CH3COO)2 0.5H2O and Pb2O(HCOO)2: Two Corrosion Products Revisited, Catherine M. Mauck, Titus van den Heuvel, Michaela M. Hull, Matthias Zeller, and Catherine M. Oertel

Infrared Spectra Of CF2=CHD and CF2=CD2: Scaled Quantum-chemical Force Fields And An Equilibrium Structure For 1,1-difluoroethylene, Donald C. McKean, Mark M. Law, Peter Groner, Andrew R. Conrad, Michael J. Tubergen, David Feller, Michael C. Moore, and Norman C. Craig

Infrared Spectra Of 12CF2=12CH2 and 12CF2=13CH2, Quantum-chemical Calculations Of Anharmonicity, And Analyses Of Resonances, Donald C. McKean, Benjamin van der Veken, Wouter Herrebout, Mark M. Law, Michael J. Brenner, Deacon J. Nemchick, and Norman C. Craig

Structure And Polymorphism In M(ethylenediamine)3MoS4 (M = Mn, Co, Ni), Hengfeng Tian, Hadley A. Iliff, Lee J. Moore, and Catherine M. Oertel


Synthesis and structural characterization of the peptide epitope of the ovarian cancer biomarker CA125 (MUC16), Rebecca J. Whelan, Zach T. Berman, Lee J. Moore, and Kathleen E. Knudson


Short-chain carboxylic acids from gray catbird (Dumetella carolinensis) uropygial secretions vary with testosterone levels and photoperiod, Rebecca J. Whelan, Tera C. Levin, and Mary C. Garvin

Submissions from 2009

Primary atmospheric oxidation mechanism for toluene, Cristian O. Baltaretu, Eben I. Lichtman, Amelia B. Hadler, and Matthew J. Elrod


Reply to Comment on ‘Primary Atmospheric Oxidation Mechanism for Toluene’, Cristian O. Baltaretu, Eben I. Lichtman, Amelia B. Hadler, and Matthew J. Elrod

High-Resolution Solid-State NMR Structure of Alanyl-Prolyl-Glycine, Alexander B. Barnes, Loren B. Andreas, Matthias Huber, Ramesh Ramachandran, Patrick C.A. van der Wel, Mikhail Veshtort, Robert G. Griffin, and Manish A. Mehta

Review: Molecular Recognition and Polymers: Control of Polymer Structure and Self-Assembly, Jason M. Belitsky

Solvation and Hydrogen Bonding in Alanine- and Glycine-Containing Dipeptides Probed Using Solutionand Solid-State NMR Spectroscopy, Manasi P. Bhate, Jaie C. Woodard, and Manish A. Mehta

High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene, Norman C. Craig, Michael C. Moore, Christopher F. Neese, David C. Oertel, Laura Pendraza, and Tony Masiello

Different modes of binding of mono-, di-, and trihalohenated phenols to the hemoglobin dehaloperozidase from Amphrite ornata, Michael F. Davis, Hanna Gracz, Franck A.P. Vendeix, Vesna de Serrano, Aswin Somasundaram, Sean M. Decatur, and Stefan Franzen

Conformation And Dynamics Of Amyloid Aggregates Via Isotope-edited Infrared Spectroscopy, Sean M. Decatur

High level ab initio energies and structures for the rotamers of 1,3-butadiene, David Feller and Norman C. Craig

Microwave spectra of eight isotopic modifications of 1-chloro-1-fluoroethylene, Helen O. Leung, Mark D. Marshall, Andrew L. Vasta, and Norman C. Craig

Self-aggregation of a polyalanine octamer promoted by its C-terminal tyrosine and probed by a strongly enhanced vibrational circular dichroism signal, Thomas J. Measey, Kathryn B. Smith, Sean M. Decatur, Liming Zhao, Guoliang Yang, and Reinhard Schwietzer-Stenner

Assessing the potential for diol and hydroxy sulfate ester formation from the reaction of epoxides with tropospheric aerosols, Emily C. Minerath and Matthew J. Elrod

Kinetics of the reactions of isoprene-derived epoxides in model tropospheric aerosol solutions, Emily C. Minerath, Madeline P. Schultz, and Matthew J. Elrod

Acetic Acid Vapor Corrosion of Lead-Tin Alloys Containing 3.4 and 15% Tin, Catherine M. Oertel, Shefford P. Baker, Annika Niklasson, Lars-Gunnar Johansson, and Jan-Erik Svensson


Evaluation of Oral Fluid Testing Devices, Lorna T. Sniegoski, Jocelyn Waddell, Michael J. Welch, Alim A. Fatah, Mac Gackstetter, and Robert Q. Thompson

Semiexperimental Equilibrium Structure for the C6 Backbone of cis-1,3,5-Hexatriene; Structural Evidence for Greater π-Electron Delocalization with Increasing Chain Length in Polyenes, Richard D. Suenram, Brooks H. Pate, Alberto Lesarri, Justin L. Neill, Steven Shipman, Robin A. Holmes, Matthew C. Leyden, and Norman C. Craig

Submissions from 2008

An Investigation of the Rotamers of Butadiene by High-Resolution Infrared Spectroscopy, Norman C. Craig and Robert L. Sams

Ab Initio Structures for 90°-Twisted s-trans-1,3-Butadienes and Cyclooctatetraene: The Naked sp2-sp2 Bond, David Feller, Norman C. Craig, and Albert Matlin

Quantum dynamics of adsorbed H2 in the microporous framework MOF-5 analyzed using diffuse reflectance infrared spectroscopy, Stephen FitzGerald, Kelty Allen, Patrick Landerman, Jesse B. Hopkins, John D. Matters, R. Myers, and Jesse L.C. Rowsell