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Submissions from 2009

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Density functional calculations on the thermodynamic properties of a series of nitrosocubanes having the formula C8H8−x(NO)x (x=1−8), Ryan M. Richard and David W. Ball

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Chemically-Selective Surface Glyco-Functionalization of Liposomes Through Staudinger Ligation, Hailong Zhang, Yong Ma, and Xue-Long Sun

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Reductive Decomposition of A Diazonium Intermediate by Dithiothreitol Affects The Determination of NOS Turnover Rates, Perera N. Indika, Talal Sabbagh, Jean A. Boutros, and Mekki Bayachou

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The Seven Base Units, Part II, David W. Ball

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Inactivation of [Fe-Fe]-Hydrogenase by O2. Thermodynamics and Frontier Molecular Orbitals Analyses, Daniela Dogaru, Stefan Motiu, and Valentin Gogonea

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Isolation and Characterization of Aromatase Inhibitors from Brassaiopsis Glomerulata (Araliaceae), Marcy J. Balunas, Bin Su, Soedarsono Riswan, Harry H.S. Fong, Robert W. Brueggemeier, John M. Pezzuto, and A. Douglas Kinghorn

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The Seven Base Units, Part I, David W. Ball

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Units We May Never (or Rarely) See, David W. Ball

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Alpha Particle Chemistry. On the Formation of Stable Complexes Between He2+ and Other Simple Species: Implications for Atmospheric and Interstellar Chemistry, John P. Coyne and David W. Ball

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Synthesis and Evaluation of Some Steroidal Oximes as Cytotoxic Agents: Structure/Activity Studies (I), Jianguo Cui, Lei Fan, Li Liang Huang, Hong Li Liu, and Aimin Zhou

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Statins Induce Apoptosis in Ovarian Cancer Cells Through Activation of JNK and Enhancement of Bim Expression, Hongli Liu, Shu Ling Liang, Sheetal Kumar, Crystal M. Weyman, Wendy Liu, and Aimin Zhou

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Quantitative Determination of Cannabinoid Receptor Antagonist Surinabant in Human Plasma by LC-UV and LC-ESI-MS/MS Methods, Melissa McCulloch and Yan Xu

Submissions from 2008

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Lenses, David W. Ball

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New Potential High Energy Materials: High-Level Calculations on the Properties of Aminonitromethanes, Kelly Y. Mathews and David W. Ball

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Organic Chlorate and Perchlorate Derivatives as High Energy Materials: High-Level Computations on Methyl Chlorate and Methyl Perchlorate, Sara L. Brunswick and David W. Ball

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Prisms, David W. Ball

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Ab Initio Calculations on the Thermodynamic Properties of Azaborospiropentanes, Ryan M. Richard and David W. Ball

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DNA Polymerases as Therapeutic Targets, Anthony J. Berdis

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Mechanism and Dynamics of Translesion DNA Synthesis Catalyzed by The Escherichia Coli Klenow Fragment, Asim Sheriff, Edward A. Motea, Irene Lee, and Anthony J. Berdis

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Xanthones From The Botanical Dietary Supplement Mangosteen (Garcinia mangostana) with Aromatase Inhibitory Activity, Marcy J. Balunas, Bin Su, Robert W. Brueggemeier, and A. Douglas Kinghorn

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Enthalpies of Formation of Nitrobuckminsterfullerenes: Extrapolation to C60(NO2)60, Ryan M. Richard and David W. Ball

Spectroscopy is Applied Quantum Mechanics. Part 4: Ideal Systems, David W. Ball

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Synthesis and Biological Evaluation of Novel Sulfonanilide Compounds as Antiproliferative Agents for Breast Cancer, Bin Su, Michael V. Darby, and Robert W. Brueggemeier

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Chemoselective Immobilization of Biomolecules Through Aqueous Diels-Alder and PEG Chemistry, Xue-Long Sun, LiuChun Yang, and Elliot L. Chaikof

Spectroscopy is Applied Quantum Mechanics. Part 3: Introduction to Quantum Mechanics, David W. Ball

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A Facile and Efficient Synthesis of Some (6E)-Hydroximino-4-En-3-One Steroids, Steroidal Oximes From Cinachyrella spp. Sponges, Jianguo Cui, Liliang Huang, Lei Fan, and Aimin Zhou

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Determination of Endocannabinoid Receptor Antagonist SR141716 (Rimonabant) in Plasma by Liquid Chromatograph Tandem Mass Spectrometry, Melissa McCulloch, Xiang Zhou, Yan Xu, Steve Brunell, and Linda Spear

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4-Hydroxyphenylretinamide (4HPR) Derivatives Regulate Aromatase Activity and Expression in Breast Cancer Cells, Bin Su, Serena M. Mershon, Laura A. Stonerock, Robert W. Curley Jr., and Robert W. Brueggemeier

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Novel Sulfonanilide Analogs Decrease Aromatase Activity in Breast Cancer Cells: Synthesis, Biological Evaluation, and Ligand-Based Pharmacophore Identification, Bin Su, Ran Tian, Michael V. Darby, and Robert W. Brueggemeier

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Ab Initio Calculations on the Thermodynamic Properties of Spiropentane and its Boron-Containing Derivatives, Ryan M. Richard and David W. Ball

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IFN-γ Induces Apoptosis in HL-60 Cells Through Decreased Bcl-2 and Increased Bak Expression, Yan Zhou, Crystal M. Weyman, Hongli Liu, Alexandru Almasan, and Aimin Zhou

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Hexacyclo[7.1.0.01,3.03,5.05,7.07,9]decane, or Pentagramane: High-Level Computational Studies on a Novel Hydrocarbon, David W. Ball

Spectroscopy is Applied Quantum Mechanics. Part 2: The Quantum Revolution, David W. Ball

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Natural Products as Aromatase Inhibitors, Marcy J. Balunas, Bin Su, Robert W. Brueggemeier, and A. Douglas Kinghorn

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A Polarizable Force-Field Model for Quantum-Mechanical-Molecular-Mechanical Hamiltonian Using Expansion of Point Charges Into Orbitals, P. K. Biswas and Valentin Gogonea

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Ab Initio Calculations on the Thermodynamic Properties of Azaspiropentanes, Ryan M. Richard and David W. Ball

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G2, G3, and Complete Basis Set Calculations of the Thermodynamic Properties of cis- and trans-Triazene, Ryan M. Richard and David W. Ball

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G2, G3, and Complete Basis Set Calculations on the Thermodynamic Properties of Triazane, Ryan M. Richard and David W. Ball

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Suppression of Aromatase in Human Breast Cells by A Cyclooxygenase-2 Inhibitor and Its Analog Involves Multiple Mechanisms Independent of Cyclooxygenase-2 Inhibition, Bin Su, Edgar S. Diaz-Cruz, Serena Landini, and Robert W. Brueggemeier

Submissions from 2007

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Spectroscopy is Applied Quantum Mechanics. Part 1: The Need for Quantum Mechanics, David W. Ball

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Enhancing The “A-Rule” of Translesion DNA Synthesis: Promutagenic DNA Synthesis Using Modified Nucleoside Triphosphates, Babho Devadoss, Irene Lee, and Anthony J. Berdis

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G2, G3, and Complete Basis Set Calculations of the Thermodynamic Properties of Aminoborane, Diaminoborane, and Triaminoborane, Ryan M. Richard and David W. Ball

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Optimization of Non-Natural Nucleotides For Selective Incorporation Opposite Damaged DNA, Diana Vineyard, Xuemei Zhang, Alison Donnelley, Irene Lee, and Anthony J. Berdis

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Optimized Geometries, Vibrational Frequencies, and Thermochemical Properties of Mixed Boron- and Carbon - Containing Three-Membered Rings, Jon Hillegass Jr. and David W. Ball

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Ovarian Cancer G Protein–Coupled Receptor 1, a New Metastasis Suppressor Gene in Prostate Cancer, Lisam Shanjukumar Singh, Michael Berk, Rhonda Oates, Zhenwen Zhao, Haiyan Tan, Ying Jiang, Aimin Zhou, Kashif Kirmani, Rosemary Steinmetz, Daniel Lindner, and Yan Xu

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Light Emitting Diodes, David W. Ball

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Aromatase and COX in Breast Cancer: Enzyme Inhibitors and Beyond, Robert W. Brueggemeier, Bin Su, Yasuro Sugimoto, Edgar S. Diaz-Cruz, and Danyetta D. Davis

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The Use of Non-natural Nucleotides to Probe Template-Independent DNA Synthesis, Anthony J. Berdis and David McCutcheon

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Fire and Flames, David W. Ball

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1,4-Di-9-anthrylbutane, Mustafa Arslan, Erol Asker, John Masnovi, and Ronald J. Baker

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1,3-Bi-9-anthrylpropane, Mustafa Arslan, Erol Asker, John Masnovi, and Ronald J. Baker

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Is A Thymine Dimer Replicated Via A Transient Abasic Site Intermediate? A Comparative Study Using Non-Natural Nucleotides, Babho Devadoss, Irene Lee, and Anthony J. Berdis

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Synthesis and Biological Evaluation of Selective Aromatase Expression Regulators in Breast Cancer Cells, Bin Su, Serena Landini, Danyetta D. Davis, and Robert W. Brueggemeier

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G2, G3, and Complete Basis Set Calculations of the Thermodynamic Properties of Two Isomers of Diazadiboretidine, cyclo-B2N2H4, Amy J. Tricamo, Karen J. Knaus, and David W. Ball

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G2, G3, and Complete Basis Set Calculations of Optimized Geometries, Vibrational Frequencies, and Thermodynamic Properties of Azatriboretidine and Triazaboretidine, Ryan M. Richard and David W. Ball

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Periodic Table, David W. Ball

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The Electromagnetic Spectrum: A History, David W. Ball

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Interaction Energy Decomposition in Protein–Protein Association: A Quantum Mechanical Study of Barnase–Barstar Complex, Abdessamad Ababou, Arjan van der Vaart, Valentin Gogonea, and Kenneth M. Merz Jr.

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Role of 2-5A-Dependent RNase-L in Senescence and Longevity, J. B. Andersen, X. L. Li, C. S. Judge, Aimin Zhou, B. K. Jha, S. Shelby, L. Zhou, Robert H. Silverman, and B. A. Hassel

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Atomic Clocks: An Application of Spectroscopy, David W. Ball

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The Chemical Composition of Honey, David W. Ball

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The Chemical Composition of Maple Syrup, David W. Ball

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Non-Natural Nucleotide Analogs as Probes of DNA Polymerase Activity, Babho Devadoss and Anthony J. Berdis

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Tumour Suppressor Function of RNase L in A Mouse Model, Wendy Liu, Shu Ling Liang, Hongli Liu, Robert Silverman, and Aimin Zhou

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Reactivation Pathway of The Hydrogenase H-cluster: Density Functional Theory Study, Stefan Motiu, Daniela Dogaru, and Valentin Gogonea

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Optimized Geometries, Vibrational Frequencies, and Thermochemical Properties of Mixed Boron- and Nitrogen-Containing Three-Membered Rings, Ryan M. Richard and David W. Ball

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Recent Anti-Influenza Strategies in Multivalent Sialyloligosaccharides and Sialylmimetics Approaches, Xue-Long Sun

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The Refined Structure of Nascent HDL Reveals A Key Functional Domain For Particle Maturation and Dysfunction, Zhiping Wu, Matthew A. Wagner, Lemin Zheng, John S. Parks, Jacinto M. Shy III, Jonathan D. Smith, Valentin Gogonea, and Stanley L. Hazen

Submissions from 2006

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G2, G3, and Complete Basis Set Calculations of the Thermodynamic Properties of Boron-Containing Rings: cyclo-CH2BHNH, 1,2-, and 1,3-cyclo-C2H4BHNH, Ryan M. Richard and David W. Ball

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Electronic Structure, Ionization Potential, and Electron Affinity of The Enzyme Cofactor (6R)-5,6,7,8-Tetrahydrobiopterin in The Gas Phase, Solution, and Protein Environments, Valentin Gogonea, Jacinto M. Shy II, and Pradip K. Biswas

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Rational Attempts to Optimize Non-Natural Nucleotides for Selective Incorporation Opposite An Abasic Site, Xuemei Zhang, Alison Donnelley, Irene Lee, and Anthony J. Berdis

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Nitrohydrazines as Potential High Energy Materials: High Level Calculations, David W. Ball

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(E,E)-1,3-Bis[9,10-dihydro-9-nitro-10-(trinitro­meth­yl)-9-anthr­yl]propane, Mustafa Arslan, Erol Asker, John Masnovi, and Ronald J. Baker

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A 2:1 complex of 1,3-bis­(9H-carbazol-9-yl)propane and tetra­chloro-p-benzoquinone (p-chloranil), Mustafa Arslan, Randolph B. Krafcik, John Masnovi, and Ronald J. Baker

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Photoacoustic Spectroscopy, David W. Ball

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RNase L: Its Biological Roles and Regulation, Shu Ling Liang, David Quirk, and Aimin Zhou

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Calculations on the Structure, Vibrational Spectrum, and Enthalpy of Formation of Pentafluoronitrosulfane, SF5NO2, David W. Ball

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Structures and Enthalpies of methyl- and dimethyl-1,3-dioxa-2,4-diazetidine, CH3HN2O2and (CH3)2N2O2. High-Level Calculations, Brendan T. Gombach, Karen J. Knaus, and David W. Ball

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10,10′-Dinitro-10,10′-(butane-1,4-di­yl)dianthracen-9(10H)-one, Mustafa Arslan, Erol Asker, John Masnovi, and Ronald J. Baker

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Numerical Simulation and Graphical Analysis of In Vitro Benign Tumor Growth: Application of Single-Particle State Bosonic Matter Equation with Length Scaling, Pradip K. Biswas, Jiansen Niu, Tobias Frederico, and Valentin Gogonea

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Lovastatin-Induced Apoptosis in Macrophages Through The Rac1/Cdc42/JNK Pathway, Shu Ling Liang, Hongli Liu, and Aimin Zhou

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An Alternative Clamp Loading Pathway via The T4 Clamp Loader gp44/62−DNA Complex, Zhihao Zhuang, Anthony J. Berdis, and Stephen J. Benkovic

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Light: Particle or Wave?, David W. Ball

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10,10′-Dinitro-10,10′-(propane-1,3-di­yl)di-10H-anthracen-9-one, Mustafa Arslan, Erol Asker, John Masnovi, and Ronald J. Baker

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9-Ethyl-3-(9H-9-ethyl­carbazol-3-yl)-4-nitro­-9H-carbazole, Erol Asker and John Masnovi

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Bis(9-ethyl­carbazol-3-yl)ethane, Erol Asker and John Masnovi

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Interference by Naturally Occurring Fatty Acids in A Noncellular Enzyme-Based Aromatase Bioassay, Marcy J. Balunas, Bin Su, Serena Landini, Robert W. Brueggemeier, and A. Douglas Kinghorn

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New Potential High-Energy Materials: 1,3-dioxa-2,4-diazetidine, N2H2O2, High-Level Calculations, Michael F. Breth, Karen J. Knaus, and David W. Ball

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Computational and Mutational Analysis of Human Glutaredoxin (Thioltransferase): Probing The Molecular Basis of The Low pKa of Cysteine 22 and Its Role in Catalysis, Shu Chuan Jao, Susan M. English Ospina, Anthony J. Berdis, David W. Starke, Carol Beth Post, and John J. Mieyal

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Hemin- and Hemeprotein-Catalyzed Electroreduction of Aliphatic Nitro-Compounds, Ling Li and Mekki Bayachou

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Electrophilicity-Nucleophilicity Scale Also in the Gas Phase, Chagit Denekamp and Yana Sandlers

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9,9′-Diethyl-3,3′-di-9H-carbazol­yl, Erol Asker and John Masnovi

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Bis(9-ethyl­carbazol-3-yl)methane, Erol Asker and John Masnovi

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Fiber Optics, David W. Ball

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Novel Sulfonanilide Analogues Suppress Aromatase Expression and Activity in Breast Cancer Cells Independent of COX-2 Inhibition, Bin Su, Edgar S. Diaz-Cruz, Serena Landini, and Robert W. Brueggemeier

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Concentration Scales for Sugar Solutions, David W. Ball

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Do the Series in the Hydrogen Atom Spectrum Ever Overlap?, David W. Ball

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Modulators, David W. Ball

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Fluorescent Analysis of Translesion DNA Synthesis by Using A Novel, Non-natural Nucleotide Analogue, Irene Lee and Anthony J. Berdis

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Recent Developments inThe Mechanistic Enzymology of The ATP-Dependent Lon Protease from Escherichia Coli: Highlights From Kinetic Studies, Irene Lee, Anthony J. Berdis, and Carolyn K. Suzuki