UK X-Ray Facility News


August 2018

Structural isomerization of 2-anilinonicotinic acid leads to a new synthon in 6-anilinonicotinic acids. Cryst. Growth Des. doi: 10.1021/acs.cgd.8b00840
Siqing Peng, Faquan Yu, Danrui Xu, Conggang Li, Sean R. Parkin, Tonglei Li, Mingtao Zhang, Sihui Long

May 2018

Effect of ancillary (aminomethyl)phenolate ligand on efficacy of aluminum-catalyzed glucose dehydration to 5-hydroxymethylfurfural. Polyhedron doi: 10.1016/j.poly.2018.03.035
Daudi Saang'onyo, Sean Parkin, Folami T Ladipo

May 2018

Structure-activity relationships of anticancer ruthenium(II) complexes with substituted hydroxyquinolines. Eur. J. Med. Chem. doi: 10.1016/j.ejmech.2018.04.044
Dmytro Havrylyuk, Brock S. Howerton, Leona Nease, Sean Parkin, David K. Heidary, Edith C. Glazer

May 2018

Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid. RSC Advances doi: 10.1039/c7ra13353g
Rong Hu, Yunping Zhoujin, Meng Liu, Mingtao Zhang, Sean Parkin, Panpan Zhou, Jianzhi Wang, Faquan Yu, Sihui Long

April 2018

Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics. ACS Appl. Mater. Interfaces, Just Accepted doi: 10.1021/acsami.7b16894
So Min Park, Samuel M. Mazza, Zhiming Liang, Ashkan Abtahi, Alex M. Boehm, Sean Parkin, John E. Anthony, and Kenneth R. Graham

April 2018

Mechanochemical Treatment Facilitates Two-Step Oxidative Depolymerization of Kraft Lignin. ACS Sustainable Chem. Eng., Article ASAP doi: 10.1021/ acssuschemeng.7b04597
Soledad Yao, Justin Mobley, John Ralph, Mark Crocker, Sean Parkin, John P. Selegue, Mark S. Meier

March 2018

Breaking the Bimolecular Crystal: Effect of Side-Chain Length on Oligothiophene / Fullerene Intercalation. Chem. Mater., Article ASAP doi: 10.1021/acs.chemmater. 7b04702
Edmund K. Burnett, Benjamin P. Cherniawski, Stephen J. Rosa, Detlef-M. Smilgies, Sean Parkin, Alejandro L. Briseno

February 2018

Effect of Halogenation on the Energetics of Pure and Mixed Phases in Model Organic Semiconductors Composed of Anthradithiophene Derivatives and C60. J. Phys. Chem. C, Article ASAP doi: 10.1021/acs.jpcc.7b11729
Ashkan Abtahi, Samuel M. Mazza, Sean M. Ryno, E. Kirkbride Loya, Ruipeng Li, Sean R. Parkin, Chad Risko, John E. Anthony and Kenneth R. Graham

January 2018

Crystal packing and crystallization tendency from the melt of 2-((2-ethylphenyl)amino)nicotinic acid. Z. Kristallogr. 2018; 233(1): 9–16 doi: https://doi.org/10.1515/zkri-2017-2070
Arjun Kalra, Mingtao Zhang, Sean Parkin and Tonglei Li

November 2017

A Stable Two-Electron-Donating Phenothiazine for Application in Nonaqueous Redox Flow Batteries. J. Phys. Chem. B doi: 10.1039/C7TA05883G
Jeffrey A. Kowalski, Matthew D. Casselman, Aman Preet Kaur, Jarrod D. Milshtein, Corrine F. Elliott, Subrahmanyam Modekrutti, N. Harsha Attanayake, Naijao Zhang, Sean R. Parkin, Chad Risko, Fikile R. Brushett and Susan A. Odom

October 2017

Persistent Self-Association of Solute Molecules in Solution. J. Phys. Chem. B doi: 10.1021/acs.jpcb.7b07763
Weiwei Tang, Huaping Mo, Mingtao Zhang, Sean Parkin, Junbo Gong, Jingkang Wang, Tonglei Li

October 2017

Tuning DNA Condensation with Zwitterionic Polyamidoamine (zPAMAM) Dendrimers. Macromolecules doi: 10.1021/acs.macromol. 7b01470
Min An, Gulen Yesilbag Tonga, Sean R Parkin, Vincent M Rotello, Jason E DeRouchey

August 2017

Photophysical characterization and time-resolved spectroscopy of a anthradithiophene dimer: exploring the role of conformation in singlet fission. PhysChemPhysChem doi: 10.1039/C7CP03774K.
Jacob C. Dean, Ruomeng Zhang, Rawad K. Hallani, Ryan D. Pensack, Samuel N. Sanders, Daniel G. Oblinsky, Sean R. Parkin, Luis M. Campos, John E. Anthony, Gregory D. Scholes

August 2017

Beyond the Hammett Effect: Using Strain to Alter the Landscape of Electrochemical Potentials. ChemPhysChem doi: 10.1002/cphc.201700607.
Matthew D. Casselman, Corrine F. Elliott, Subrahmanyam Modekrutti, Peter L. Zhang, Sean R. Parkin, Chad Risko, and Susan A. Odom

August 2017

sp2CH⋯Cl hydrogen bond in the conformational polymorphism of 4-chloro-phenylanthranilic acid. CrystEngComm doi: 10.1039/C7CE00772H.
Meng Liu, Chuming Yin, Peng Chen, Mingtao Zhang, Sean Parkin, Panpan Zhou, Tonglei Li, Faquan Yu, and Sihui Long

July 2017

Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules. J. Mat. Chem. C doi: 10.1039/c7tc02528a.
Unsal Koldemir, Jonathan S. Tinkham, Robert Johnson, Bogyu Lim, Henok A. Yemam, Kevin J. Gagnon, Sean Parkin, and Alan Sellinger

July 2017

X8 Proteum rotating anode diffractometer refurbishment completed with 'K3' goniometer, and newer optics. Thanks again Sean Malle!

June 2017

Strong Hydrogen Bond Leads to a Fifth Crystalline Form and Polymorphism of Clonixin. Chem. Select doi: 10.1002/slct.201700947.
Sihui Long, Tengfei Mao, Peng Chen, Meng Liu, Sean Parkin, Mingtao Zhang, Tonglei Li, Panpan Zhou, and Faquan Yu

May 2017

Absolute configuration of 2,2′,3,3′,6- pentachlorinatedbiphenyl (PCB 84) atropisomers. Env. Sci. Poll. Res. doi: 10.1007/s11356-017-9259-z.
Xueshu Li, Sean R. Parkin, and Hans-Joachim Lehmler

May 2017

Regioselective Baeyer–Villiger oxidation of lignin model compounds with tin beta zeolite catalyst and hydrogen peroxide. RSC Advances doi: 10.1039/c7ra03830e.
John A. Jennings, Sean Parkin, Eric Munson, Sean P. Delaney, Julie L. Calahan, Mark Isaacs, Kunlun Hong, and Mark Crocker

May 2017

Crystal structure of 4, 4′-bis [3-(piperidin-1-yl) prop-1-yn-1-yl]-1, 1′-biphenyl. Acta Cryst. E doi: 10.1107/S2056989017007277
A. Walbaum, E. K. Fifer, S. Parkin and P. A. Crooks

April 2017

Understanding the Crystal Packing and Organic Thin-Film Transistor Performance in Isomeric Guest–Host Systems. Adv. Mater. doi: 10.1002/adma.201700048.
Anna K. Hailey, Anthony J. Petty II, Jennifer Washbourne, Karl J. Thorley, Sean R. Parkin, John E. Anthony, and Yueh-Lin Loo

April 2017

Bruker-AXS D8 Venture dual-microsource diffractometer installed and running (NSF MRI grant CHE-1625732). Thanks Sean Malle!

April 2017

Bi- and Tetracyclic Spirotetronates from the Coal Mine Fire Isolate Streptomyces sp. LC-6-2. J. Nat. Prod. doi: 10.1021/acs.jnatprod. 7b00108.
Xiachang Wang, Sherif I. Elshahawi, Wenlong Cai, Yinan Zhang, Larissa V. Ponomareva, Xiabin Chen, Gregory C. Copley, James C. Hower, Chang-Guo Zhan, Sean Parkin, Jürgen Rohr, Steven G. Van Lanen, Khaled A. Shaaban, and Jon S. Thorson

March 2017

Solid-State Characterization of 2-[(2,6-Dichlorophenyl)amino]-Benzaldehyde: An Experimental and Theoretical Investigation. J. Chin. Chem. Soc. doi: 10.1002/jccs.201600848.
Peng Chen, Yuanyuan Jin, Panpan Zhou, Sean Parkin, Zhifei Zhang, Sihui Long

March 2017

UK X-Ray Facility takes delivery of a new dual-microsource diffractometer, obtained on NSF MRI grant CHE-1625732.

February 2017

Photochemical Properties and Structure-Activity Relationships of Ru(II) Complexes with Pyridyl-benzazole Ligands as Promising Anticancer Agents. Eur. J. Inorg. Chem. doi: 10.1002/ejic.201601450.
Dmytro Havrylyuk, David K. Heidary, Leona Nease, Sean Parkin, Edith C. Glazer

February 2017

X8 Proteum rotating anode diffractometer detector replaced with Pt-135 CCD. Thanks Marek Przetakiewicz!

January 2017

Mccrearamycins A–D, Geldanamycin-Derived Cyclopentenone Macrolactams from an Eastern Kentucky Abandoned Coal Mine Microbe. Angew. Chem. Int Ed. doi: 10.1002/anie.201612447.
Xiachang Wang, Yinan Zhang, Larissa V. Ponomareva, Qingchao Qiu, Ryan Woodcock, Sherif I. Elshahawi, Xiabin Chen, Ziyuan Zhou, Bruce E. Hatcher, James C. Hower, Chang-Guo Zhan, Sean Parkin, Madan K. Kharel, S. Randal Voss, Khaled A. Shaaban, and Jon S. Thorson

January 2017

The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes. J. Mat. Chem. C doi: 10.1039/C6TC04612F.
Benjamin P. Cherniawski, Steven A. Lopez, Edmund K. Burnett, Ilhan Yavuz, Lei Zhang, Sean R. Parkin, Kendall N. Houk, and Alejandro L. Briseno

November 2016

Synthesis and Electrical Properties of Derivatives of 1, 4-bis (trialkylsilylethynyl) benzo [2, 3-b: 5, 6-b′] diindolizines. Organic Letters doi: 10.1021/acs.orglett.6b02991.
Devin B. Granger, Yaochuan Mei, Karl J. Thorley, Sean R. Parkin, Oana D. Jurchescu, and John E. Anthony

October 2016

Epitaxially intergrown conformational polymorphs, and a mixed water/methanol solvate of 5’-deoxy-5’-iodoguanosine. Cryst. Growth Des. doi: 10.1021/acs.cgd.6b00981.
Sean R. Parkin, Karl J. Thorley, Kevin J. Gagnon, and Edward J. Behrman

August 2016

UK X-Ray Facility awarded NSF-MRI grant CHE-1625732 to replace the old Nonius kappaCCD diffractometer.