Submissions from 2013
Bis-spironaphthooxazine based photochromic polymer materials, Davita L. Watkins and Tomoko Fujiwara
A flow injection analysis system for monitoring silver (I) ion and iodine residuals in recycled water from recovery systems used for spaceflight, Jill P. Williamson and Gary L. Emmert
A Structural-Based Strategy for Recognition of Transcription Factor Binding Sites, Beisi Xu, Dustin E. Schones, Yongmei Wang, Haojun Liang, and Guohui Li
Can the individual block in block copolymer be made chromatographically "invisible" at the critical condition of its corresponding homopolymer?, Xiaoping Yang, Yutian Zhu, and Yongmei Wang
Structural characterization of an LPA1 second extracellular loop mimetic with a self-assembling coiled-coil folding constraint, John K. Young, Benjamin T. Clayton, Alexandra Kikonyogo, Truc Chi T. Pham, and Abby L. Parrill
Quantitative analysis of oleic acid and three types of polyethers according to the number of hydroxy end groups in Polysorbate 80 by hydrophilic interaction chromatography at critical conditions, Rui Zhang, Yu Wang, Yu Ji, Bei jia Shi, Zai ping Zhang, Hai yan Zhang, Ming Yang, and Yong mei Wang
Mechanism and enantioselectivity of dirhodium-catalyzed intramolecular C-H amination of sulfamate, Xiting Zhang, Zhuofeng Ke, Nathan J. Deyonker, Huiying Xu, Zhi Feng Li, Xianyan Xu, Xuepeng Zhang, and Cheng Yong Su
Submissions from 2012
Controlled thermoresponsive hydrogels by stereocomplexed PLA-PEG-PLA prepared via hybrid micelles of pre-mixed copolymers with different PEG lengths, Daniel G. Abebe and Tomoko Fujiwara
A stereocomplex of poly(lactide)s with chain end modification: Simultaneous resistances to melting and thermal decomposition, Hiroharu Ajiro, Yi Ju Hsiao, Tran Hang Thi, Tomoko Fujiwara, and Mitsuru Akashi
Polylactide Block Copolymers using Trimethylene Carbonate with Methoxyethoxy Side Groups for Dual Modification of Hydrophilicity and Biodegradability, Hiroharu Ajiro, Yoshikazu Takahashi, Mitsuru Akashi, and Tomoko Fujiwara
Rapid fabrication of polylactide stereocomplex using layer-by-layer deposition by inkjet printing, Takami Akagi, Tomoko Fujiwara, and Mitsuru Akashi
Reactions of solvated electrons initiated by sodium atom ionization at the vacuum-liquid interface, William A. Alexander, Justin P. Wiens, Timothy K. Minton, and Gilbert M. Nathanson
Kinematics and dynamics of atomic-beam scattering on liquid and self-assembled monolayer surfaces, William A. Alexander, Jianming Zhang, Vanessa J. Murray, Gilbert M. Nathanson, and Timothy K. Minton
Synthesis and properties of near infrared-absorbing magnetic-optical nanopins, Saheel Bhana, Binod K. Rai, Sanjay R. Mishra, Yongmei Wang, and Xiaohua Huang
A computational investigation on the connection between dynamics properties of ribosomal proteins and ribosome assembly, Brittany Burton, Michael T. Zimmermann, Robert L. Jernigan, and Yongmei Wang
Synthesis and characterization of a neutral titanium tris(iminosemiquinone) complex featuring redox-active ligands, Kensha Marie Clark, Jesper Bendix, Alan F. Heyduk, and Joseph W. Ziller
Taming the low-lying electronic states of FeH, Nathan J. Deyonker and Wesley D. Allen
The golden age: Gold nanoparticles for biomedicine, Erik C. Dreaden, Alaaldin M. Alkilany, Xiaohua Huang, Catherine J. Murphy, and Mostafa A. El-Sayed
Analysis and confirmation of 1,3-DMAA and 1,4-DMAA in geranium plants using high performance liquid chromatography with tandem mass spectrometry at ng/g concentrations, Heather L. Fleming, Patricia L. Ranaivo, and Paul S. Simone
Thermo-responsive gels: Biodegradable hydrogels from enantiomeric copolymers of poly(lactide) and poly(ethylene glycol), Tomoko Fujiwara
Electron-rich CpIr(biphenyl-2,2′-diyl) complexes with π-accepting carbon donor ligands, Jonathan Graeupner, Timothy P. Brewster, James D. Blakemore, Nathan D. Schley, Julianne M. Thomsen, Gary W. Brudvig, Nilay Hazari, and Robert H. Crabtree
Toward accurate theoretical thermochemistry of first row transition metal complexes, Wanyi Jiang, Nathan J. Deyonker, John J. Determan, and Angela K. Wilson
Multireference character for 3d transition-metal-containing molecules, Wanyi Jiang, Nathan J. Deyonker, and Angela K. Wilson
Identification of a novel cryptochrome differentiating domain required for feedback repression in circadian clock function, Sanjoy K. Khan, Haiyan Xu, Maki Ukai-Tadenuma, Brittany Burton, Yongmei Wang, Hiroki R. Ueda, and Andrew C. Liu
Dye-loaded porous nanocapsules immobilized in a permeable polyvinyl alcohol matrix: A versatile optical sensor platform, Mariya D. Kim, Sergey A. Dergunov, Ernö Lindner, and Eugene Pinkhassik
Virtual screening for LPA2-specific agonists identifies a nonlipid compound with antiapoptotic actions, Gyöngyi N. Kiss, James I. Fells, Renuka Gupte, Sue Chin Lee, Jianxiong Liu, Nóra Nusser, Keng G. Lim, and Ramesh M. Ray
Toward feedback-controlled anesthesia: Voltammetric measurement of propofol (2,6-diisopropylphenol) in serum-like electrolyte solutions, Francine Kivlehan, Fernando Garay, Jidong Guo, Edward Chaum, and Ernö Lindner
Ion-Selective Optodes in a Sampling Capillary for Tear Fluid Analysis, Erno A. Lindner, Dwight Bordelon, Mariya D. Kim, Sergey A. Dergunov, Eugene Pinkhassik, and Edward Chaum
Potentiometric ion sensors: Host-guest supramolecular chemistry in ionophore- based ion-selective membranes, Ernö Lindner, Róbert E. Gyurcsányi, and Ernö Pretsch
Platinum(II)-catalyzed cyclization sequence of aryl alkynes via C(sp 3)-H activation: A DFT study, Zhi Feng Li, Yanzhong Fan, Nathan J. Deyonker, Xiting Zhang, Cheng Yong Su, Huiying Xu, Xianyan Xu, and Cunyuan Zhao
Interfacial energy exchange and reaction dynamics in collisions of gases on model organic surfaces, Jessica W. Lu, B. Scott Day, Larry R. Fiegland, Erin Durke Davis, William A. Alexander, Diego Troya, and John R. Morris
A designed functional metalloenzyme that reduces O 2 to H 2O with over one thousand turnovers, Kyle D. Miner, Arnab Mukherjee, Yi Gui Gao, Eric L. Null, Igor D. Petrik, Xuan Zhao, Natasha Yeung, and Howard Robinson
Discovery of a novel series of Chk1 kinase inhibitors with a distinctive hinge binding mode, Mst Moriom Rojy Momota, Bashir I. Morshed, Tamanna Ferdous, and Tomoko Fujiwara
Molecular organization of polylactides immobilized on a flat surface: Observation of single crystal arrays of homochiral and stereocomplexed polylactides, Hajime Nakajima, Maho Nakajima, Tomoko Fujiwara, Chan Woo Lee, Takashi Aoki, and Yoshiharu Kimura
Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths, Sean A. Nedd, Nathan J. DeYonker, Angela K. Wilson, Piotr Piecuch, and Mark S. Gordon
Sodium periodate as a primary oxidant for water-oxidation catalysts, Alexander R. Parent, Timothy P. Brewster, Wendy De Wolf, Robert H. Crabtree, and Gary W. Brudvig
Comparative modeling of lipid receptors, Abby L. Parrill
Structure of the first sphingosine 1-phosphate receptor, Abby L. Parrill, Santiago Lima, and Sarah Spiegel
JCE classroom activity #113: An interlocking building block activity in writing formulas of ionic compounds, Kristie R. Ruddick and Abby L. Parrill
Introductory molecular orbital theory: An honors general chemistry computational lab as implemented using three-dimensional modeling software, Kristie R. Ruddick, Abby L. Parrill, and Richard L. Petersen
Multiple cholesterol recognition/interaction amino acid consensus (CRAC) motifs in cytosolic C tail of Slo1 subunit determine cholesterol sensitivity of Ca2+- and voltage-gated K+ (BK) channels, Aditya K. Singh, Jacob McMillan, Anna N. Bukiya, Brittany Burton, Abby L. Parrill, and Alex M. Dopico
Electrocatalytic and photocatalytic hydrogen production in aqueous solution by a molecular cobalt complex, Wangkheimayum Marjit Singh, Teera Baine, Shotaro Kudo, Shiliang Tian, Xuan Anh N. Ma, Hongyu Zhou, Nathan J. Deyonker, and Truc Chi Pham
Electrocatalytic and photocatalytic hydrogen production in aqueous solution by a molecular cobalt complex, Wangkheimayum Marjit Singh, Teera Baine, Shotaro Kudo, Shiliang Tian, Xuan Anh N. Ma, Hongyu Zhou, Nathan J. Deyonker, and Truc Chi Pham
Hydrogen production coupled to hydrocarbon oxygenation from photocatalytic water splitting, Wangkheimayum Marjit Singh, Derek Pegram, Haifeng Duan, Diganta Kalita, Paul Simone, Gary L. Emmert, and Xuan Zhao
Synthesis of new chiral pyrylium salts and their phosphinine and pyridine derivatives, Nelson A. Van Der Velde, Holland T. Korbitz, and Charles M. Garner
Mechanism of aquation and nucleobase binding of ruthenium (II) and osmium (II) arene complexes: A systematic comparison DFT study, Hanlu Wang, Nathan J. Deyonker, Hui Gao, Liangnian Ji, Cunyuan Zhao, and Zong Wan Mao
Photodissociation of a ruthenium(II) arene complex and its subsequent interactions with biomolecules: A density functional theory study, Hanlu Wang, Nathan J. DeYonker, Xiting Zhang, Cunyuan Zhao, Liangnian Ji, and Zong Wan Mao
Synthesis, characterization, and solvent-independent photochromism of spironaphthooxazine dimers, Davita L. Watkins and Tomoko Fujiwara
Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes, Brent R. Wilson, Nathan J. Deyonker, and Angela K. Wilson
Molecular dynamics and neutron scattering study of the dependence of polyelectrolyte dendrimer conformation on counterion behavior, Bin Wu, Wei Ren Chen, Takeshi Egami, Xin Li, Yun Liu, Yongmei Wang, Changwoo Do, and Lionel Porcar
Structured water in polyelectrolyte dendrimers: Understanding small angle neutron scattering results through atomistic simulation, Bin Wu, Boutheïna Kerkeni, Takeshi Egami, Changwoo Do, Yun Liu, Yongmei Wang, Lionel Porcar, and Kunlun Hong
A polyurethane surface modifier: Contrasting amphiphilic and contraphilic surfaces driven by block and random soft blocks having trifluoroethoxymethyl and PEG side chains, Wei Zhang, Tomoko Fujiwara, Håmeyra Taşkent, Ying Zheng, Kennard Brunson, Lara Gamble, and Kenneth J. Wynne
Synthesis, air stability, photobleaching, and DFT modeling of blue light emitting platinum CCC-N-heterocyclic carbene pincer complexes, Xiaofei Zhang, Ashley M. Wright, Nathan J. Deyonker, T. Keith Hollis, Nathan I. Hammer, Charles Edwin Webster, and Edward J. Valente
Multicompartment micellar aggregates of linear ABC amphiphiles in solvents selective for the C block: A Monte Carlo simulation, Yutian Zhu, Haizhou Yu, Yongmei Wang, Jie Cui, Weixin Kong, and Wei Jiang
Submissions from 2011
Theoretical study of the dynamics of collisions between HCl and ω-hydroxylated alkanethiol self-assembled monolayers, William A. Alexander and Diego Troya
The phospholipase A 1 activity of lysophospholipase A-I links platelet activation to LPA production during blood coagulation, Alyssa L. Bolen, Anjaparavanda P. Naren, Sunitha Yarlagadda, Sarka Beranova-Giorgianni, Li Chen, Derek Norman, Daniel L. Baker, and Meng M. Rowland
An iridium(IV) species, [Cp*Ir(NHC)Cl]+, related to a water-oxidation catalyst, Timothy P. Brewster, James D. Blakemore, Nathan D. Schley, Christopher D. Incarvito, Nilay Hazari, Gary W. Brudvig, and Robert H. Crabtree
Thiocyanate linkage isomerism in a ruthenium polypyridyl complex, Timothy P. Brewster, Wendu Ding, Nathan D. Schley, Nilay Hazari, Victor S. Batista, and Robert H. Crabtree
The steroid interaction site in transmembrane domain 2 of the large conductance, voltage- and calcium-gated potassium (BK) channel accessory β1 subunit, Anna N. Bukiya, Aditya K. Singh, Abby L. Parrill, and Alejandro M. Dopico
Beating cancer in multiple ways using nanogold, Erik C. Dreaden, Megan A. Mac key, Xiaohua Huang, Bin Kang, and Mostafa A. El-Sayed
Regiospecific synthesis of 2,6-bis-indazol-1-ylpyridines from 2,6-bis-hydrazinopyridine, Nathan C. Duncan and Charles M. Garner
A simple and inexpensive kit for measuring total trihalomethanes and total haloacetic acids in drinking water, Gary L. Emmert, Yin Yee Choo, Meggan L. Larsen, Christina M. Henson, Aaron W. Brown, and Paul S. Simone
Investigating the presence of HAAs and THMs in sodium hypochlorite feedstocks, Gary L. Emmert, Christina M. Henson, Aaron W. Brown, and Paul S. Simone
Discovery and hit-to-lead optimization of non-ATP competitive MK2 (MAPKAPK2) inhibitors, Joseph M. Fox, Xiaohua Huang, André Chieffi, and Stephen L. Buchwald
Dinuclear Zn(II) complex catalyzed phosphodiester cleavage proceeds via a concerted mechanism: A density functional theory study, Hui Gao, Zhuofeng Ke, Nathan J. Deyonker, Juping Wang, Huiying Xu, Zong Wan Mao, David Lee Phillips, and Cunyuan Zhao
Bond energies, reaction volumes, and kinetics for σ- And π-complexes of Mo(CO)5L, Shannon M. Gittermann, Roger G. Letterman, Tianjie Jiao, Ging Long Leu, Nathan J. Deyonker, Charles Edwin Webster, and Theodore J. Burkey
Benzyl and naphthalene methylphosphonic acid inhibitors of autotaxin with anti-invasive and anti-metastatic activity, Renuka Gupte, Renukadevi Patil, Jianxiong Liu, Yaohong Wang, Sue C. Lee, Yuko Fujiwara, James Fells, and Alyssa L. Bolen
Engineering femtosecond organometallic chemistry: Photochemistry and dynamics of ultrafast chelation of cyclopentadienylmanganese tricarbonyl derivatives with pendant benzenecarbonyl and pyridinecarbonyl groups, Edwin J. Heilweil, Jermaine O. Johnson, Karen L. Mosley, Philippe P. Lubet, Charles Edwin Webster, and Theodore J. Burkey
A reexamination of active and passive tumor targeting by using rod-shaped gold nanocrystals and covalently conjugated peptide ligands, Xiaohua Huang, Xianghong Peng, Yiqing Wang, Yuxiang Wang, Dong M. Shin, Mostafa A. El-Sayed, and Shuming Nie
Photocatalytic oxidation of hydrocarbons in water by Ruthenium complexes, Diganta Kalita, Bhasker Radaram, Brandon Brooks, Pooja Priyanka Kannam, and Xuan Zhao
Electrochemical quantification of 2,6-diisopropylphenol (propofol), Jan Langmaier, Fernando Garay, Francine Kivlehan, Edward Chaum, and Erno Lindner
A pseudopotential-based composite method: The relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y-Cd), Marie L. Laury, Nathan J. Deyonker, Wanyi Jiang, and Angela K. Wilson
Reaction dynamics of ozone with unsaturated organic surfaces: Energy exchange, accomodation, and direct reactions, Jessica W. Lu, Larry R. Fiegland, Erin D. Davis, William A. Alexander, Alec Wagner, Richard Gandour, and John R. Morris
Initial reaction probability and dynamics of ozone collisions with a vinyl-terminated self-assembled monolayer, Jessica W. Lu, Larry R. Fiegland, Erin Durke Davis, William A. Alexander, Alec Wagner, Richard D. Gandour, and John R. Morris
Characterization of ethylene-propylene copolymers with high-temperature gradient adsorption liquid chromatography and CRYSTAF, Tibor MacKo, Robert Brüll, Yongmei Wang, Baudilio Coto, and Inmaculada Suarez
Ligand-based autotaxin pharmacophore models reflect structure-based docking results, Catrina D. Mize, Ashley M. Abbott, Samantha B. Gacasan, Abby L. Parrill, and Daniel L. Baker
Synthesis of silyl-terminated polylactides for controlled surface immobilization of polylactide macromolecular chains, Hajime Nakajima, Tomoko Fujiwara, Chan Woo Lee, and Yoshiharu Kimura
Lysophosphatidic acid receptor agonists and antagonists (WO2010051053), Abby L. Parrill
GPCR conformations: Implications for rational drug design, Abby L. Parrill and Debra L. Bautista
Computational identification and experimental characterization of substrate binding determinants of nucleotide pyrophosphatase/phosphodiesterase 7, Abby L. Parrill, Irene W. Wanjala, Truc Pham, and Daniel L. Baker
Water oxidation by mononuclear ruthenium complexes with TPA-based ligands, Bhasker Radaram, Jeffrey A. Ivie, Wangkheimayum Marjit Singh, Rafal M. Grudzien, Joseph H. Reibenspies, Charles Edwin Webster, and Xuan Zhao
Analysis of haloacetic acids in drinking water using post-column reaction-ion chromatography with on-line internal standardization, Patricia L. Ranaivo, Christina M. Henson, Paul S. Simone, and Gary L. Emmert
Ligand displacement from TpMn(CO)2L complexes: A large rate enhancement in comparison to the CpMn(CO)2L analogues, Bert H.G. Swennenhuis, Ross Poland, Nathan J. DeYonker, Charles Edwin Webster, Donald J. Darensbourg, and Ashfaq A. Bengali
FTY720 (gilenya) phosphate selectivity of sphingosine 1-phosphate receptor subtype 1 (S1P 1) G protein-coupled receptor requires motifs in intracellular loop 1 and transmembrane domain, William J. Valentine, Virginia I. Godwin, Daniel A. Osborne, Jianxiong Liu, Yuko Fujiwara, James Van Brocklyn, Robert Bittman, and Abby L. Parrill
Multiscale molecular modeling and rational design of polymer based gene delivery vectors., Yongmei Wang and Jesse Ziebarth
The correlation Consistent composite Approach: The spin contamination effect on an MP2-based composite methodology, T. Gavin Williams, Nathan J. DeYonker, Bryan S. Ho, and Angela K. Wilson
Dependence of critical condition in liquid chromatography on the pore size of column substrates, Yutian Zhu, Jesse D. Ziebarth, and Yongmei Wang
Submissions from 2010
Steric control of coordination geometry in titanium-lmido complexes of n,n-bis(arylimino)acenaphthylene ligands, Kensha Marie Clark, Joseph W. Ziller, and Alan F. Heyduk
Three-coordinate terminal imidoiron(III) complexes: Structure, spectroscopy, and mechanism of formation, Ryan E. Cowley, Nathan J. Deyonker, Nathan A. Eckert, Thomas R. Cundari, Serena Debeer, Eckhard Bill, Xavier Ottenwaelder, and Christine Flaschenriem
Self-assembling methoxypoly(ethylene glycol)-b-poly(carbonate-co-l-lactide) block copolymers for drug delivery, Michael Danquah, Tomoko Fujiwara, and Ram I. Mahato
Nanocapsules with "invisible" walls, Sergey A. Dergunov, Beata Miksa, Bill Ganus, Ernö Lindner, and Eugene Pinkhassik
Tricarbon-yl(2-methyl-2-η6-phenyl-1,3-dioxolane)chromium(0), Charles B. Duke, Charles R. Ross, and Theodore J. Burkey
2D binary QSAR modeling of LPA3 receptor antagonism, James I. Fells, Ryoko Tsukahara, Jianxiong Liu, Gabor Tigyi, and Abby L. Parrill
Surface plasmon resonance aided electrochemical immunosensor for CK-MB determination in undiluted serum samples, Fernando Garay, Greggory Kisiel, Aiping Fang, and Erno Lindner
Synthesis and pharmacological evaluation of the stereoisomers of 3-carba cyclic-phosphatidic acid, Renuka Gupte, Anjaih Siddam, Yan Lu, Wei Li, Yuko Fujiwara, Nattapon Panupinthu, Truc Chi Pham, and Daniel L. Baker
Pyridine carboxamides: Potent palm site inhibitors of HCV NS5B polymerase, Michele C. Harris, Xiaohua Huang, and Stephen L. Buchwald
Optimization of a pipemidic acid autotaxin inhibitor, Adrienne B. Hoeglund, Heidi E. Bostic, Angela L. Howard, Irene W. Wanjala, Michael D. Best, Daniel L. Baker, and Abby L. Parrill
Characterization of non-lipid autotaxin inhibitors, Adrienne B. Hoeglund, Angela L. Howard, Irene W. Wanjala, Truc Chi T. Pham, Abby L. Parrill, and Daniel L. Baker
Applications of gold nanorods for cancer imaging and photothermal therapy., Xiaohua Huang, Ivan H. El-Sayed, and Mostafa A. El-Sayed
Fluorescent Quenching Gold Nanoparticles: Potential Biomedical Applications, Xiaohua Huang, Ivan H. El-Sayed, and Mostafa A. El-Sayed
