UK X-Ray Facility News


January 2020

Toward Optimal Ru (II) Photocages: Balancing Photochemistry, Stability, and Biocompatibility Through Fine Tuning of Steric, Electronic, and Physiochemical Features. Inorg. Chem. doi: 10.1021/acs.inorgchem.9b02065
Dmytro Havrylyuk, Kimberly Stevens, Sean Parkin, Edith C Glazer

January 2020

Rational Functionalization of a C70 Buckybowl to Enable a C70: Buckybowl Co-crystal for Organic Semiconductor Applications. J. Am. Chem. Soc. doi: 10.1021/jacs.9b12192
Guangpeng Gao, Meng Chen, Josiah Roberts, Meng Feng, Chengyi Xiao, Guowei Zhang, Sean Parkin, Chad Risko, Lei Zhang

January 2020

An unusually short intermolecular N—H⋯ N hydrogen bond in crystals of the hemi-hydrochloride salt of 1-exo-acetamidopyrrolizidine. Acta Cryst. E. doi: 10.1107/S2056989019016517
Minakshi Bhardwaj, Qianxiang Ai, Sean R Parkin, Robert B Grossman

December 2019

Synthesis of mono- and dimethoxylated polychlorinated biphenyl derivatives starting from fluoroarene derivatives. Environ. Sci. Pollut. R. doi: 10.1007/s11356-019-07133-3
Ram Dhakal, Xueshu Li, Sean R Parkin, Hans-Joachim Lehmler

December 2019

Exploring six-coordinate germanium(IV)-diketonate complexes as anticancer agents. Inorg. Chim. Acta. doi: 10.1016/j.ica.2019.119375
Randall T Mertens, Sean Parkin, Samuel G Awuah

December 2019

Distorted Gold(I)–Phosphine Complexes as Antifungal Agents. J. Med. Chem. doi: 10.1021/acs.jmedchem.9b01436
Emily K. Dennis, Jong Hyun Kim, Sean Parkin, Samuel G. Awuah, Sylvie Garneau-Tsodikova

November 2019

An Investigation of the Polymorphism of a Potent Nonsteroidal Anti-inflammatory Drug Flunixin. CrystEngComm doi: 10.1039/C9CE01619H
H. Liu, X. Yang, S. Wu, M. Zhang, S. R. Parkin, S. Cao, T. Li, F. Yu, S. Long

October 2019

Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core. Chemical Science doi: 10.1039/C9SC02930C
Anthony J. Petty, Qianxiang Ai, Jeni C. Sorli, Hamna F. Haneef, Geoffrey E. Purdum, Alex Boehm, Devin B. Granger, Kaichen Gu, Carla Patricia Lacerda Rubinger, Sean R. Parkin, Kenneth R. Graham, Oana D. Jurchescu, Yueh-Lin Loo, Chad Risko, John E. Anthony

October 2019

William N. Lipscomb Centennial Celebration

September 2019

A new tutorial showing one way to collect a routine MoKα dataset on the D8 Venture

September 2019

3-(3,5-Dichlorophenyl)benzene-1,2-diol. IUCrData doi: 10.1107/S2414314619012021
Ram Dhakal, Sean Parkin, Hans-Joachim Lehmler

August 2019

Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. J. Phys. Chem. A doi: 10.1021/acs.jpca.9b04203
Jack Ly, Kara Martin, Simil Thomas, Masataka Yamashita, Beihang Yu, Craig A. Pointer, Hiroko Yamada, Kenneth R. Carter, Sean Parkin, Lei Zhang, Jean-Luc Bredas, Elizabeth R. Young, Alejandro L. Briseno

August 2019

Gold(i/iii)-phosphine complexes as potent Antiproliferative Agents. Scientific Reports doi: 10.1038/s41598-019-48584-5
Jong Hyun Kim, Evan Reeder, Sean Parkin, Samuel G. Awuah

August 2019

Synthesis and crystal structure of 1,3-bis(4-hydroxyphenyl)-1H-imidazol-3-ium chloride. Acta Cryst. E doi: 10.1107/S2056989019011058
R. Tyler Mertens, Sean R. Parkin, Samuel G. Awuah

July 2019

Even–Odd Alkyl Chain-Length Alternation Regulates Oligothiophene Crystal Structure. Chem. Mater. doi: 10.1021/acs.chemmater.9b01317
Edmund K. Burnett, Qianxiang Ai, Benjamin P. Cherniawski, Sean R. Parkin, Chad Risko, Alejandro L. Briseno

July 2019

Replaced the 1.5mm beamstop on the Mo source with 1.0mm beamstop - much more appropriate for a Mo microsource!

June 2019

Regular scheduled diffractometer maintenance on the D8 Venture - all systems are go, thanks Greg!

June 2019

Cyclometalated Gold(III) Complexes Bearing DACH Ligands. Inorg. Chem. doi: 10.1021/acs.inorgchem.9b01031
Sailajah Gukathasan, Sean Parkin, Samuel G. Awuah

May 2019

Crystal structure of zymonic acid and a redetermination of its precursor, pyruvic acid. Acta Cryst. E doi: 10.1107/S2056989019007072
Dominik Heger, Alexis J. Eugene, Sean R. Parkin, Marcelo I. Guzman

May 2019

Tailoring Two-Electron Donating Phenothiazines to Enable High Concentration Redox Electrolytes for Use in Nonaqueous Redox Flow Batteries. Chem. Mater. doi: 10.1021/acs.chemmater.8b04770
N Harsha Attanayake, Jeffrey A Kowalski, Katharine Greco, Matthew D Casselman, Jarrod D Milshtein, Steven J Chapman, Sean R Parkin, Fikile R Brushett, Susan A Odom

May 2019

2,3-Dichloro-3′,4′-dihydroxybiphenyl. IUCrData doi: 10.1107/S241431461900662X
Ram Dhakal, Sean Parkin, Hans-Joachim Lehmler

May 2019

Impact of Atomistic Substitution on Thin-Film Structure and Charge Transport in a Germanyl-ethynyl Functionalized Pentacene. Chem. Mater. doi: 10.1021/acs.chemmater.9b00546
Jeni C. Sorli, Qianxiang Ai, Devin B. Granger, Kaichen Gu, Sean Parkin, Karol Jarolimek, Nicholas Telesz, John E. Anthony, Chad Risko, Yueh-Lin Loo

April 2019

3,5-Dichloro-3′, 4′-dimethoxybiphenyl. IUCrData doi: 10.1107/S2414314619005182
Ram Dhakal, Sean Parkin, Hans-Joachim Lehmler

April 2019

Enhancing CO2 absorption for post-combustion carbon capture via zinc-based biomimetic catalysts in industrially relevant amine solutions. Int. J. Greenh. Gas Con. doi: 10.1016/j.ijggc.2019.04.002
Leland R. Widger, Moushumi Sarma, Rachael A. Kelsey, Chad Risko, Cameron A. Lippert, Sean R. Parkin, Kunlei Liu

April 2019

Effect of substituent size and isomerization on the polymorphism of 2-(naphthalenylamino)-benzoic Acids. Cryst. Growth Des. doi: 10.1021/acs.cgd.8b01902
Yuting Liu, Mingtao Zhang, Danrui Xu, Sean Parkin, Tonglei Li, Conggang Li, Zhaoyong Yang, Faquan Yu, Sihui Long

April 2019

Exploring Crystal Structure in Ethyne‐Substituted Pentacenes, and Their Elaboration into Crystalline Dehydro [18] annulenes. Helv. Chim. Acta doi: 10.1002/hlca.201900026
Matthew J. Bruzek, Emma K. Holland, Anna K. Hailey, Sean R. Parkin, Yueh‐Lin Loo, John E. Anthony

March 2019

How mithramycin stereochemistry dictates its structure and DNA binding function. MedChemComm. doi: 10.1039/c9md00100j
Caixia Hou, Jürgen Rohr, Sean Parkin, Oleg Tsodikov

March 2019

Direct intramolecular carbon(sp2)-nitrogen(sp2) reductive elimination from Gold(III). Dalton Trans. doi: 10.1039/C8DT05155K
Samuel Awuah, Jong Hyun Kim, Randall Tyler Mertens, Amal Agarwal, Sean R. Parkin, Gilles Berger

February 2019

Directed Functionalization Tailors the Polarized Emission and Waveguiding Properties of Anthracene-Based Molecular Crystals. Chem. Mater. doi: 10.1021/acs.chemmater.8b05361
Andrea Camposeo, Devin B Granger, Sean R Parkin, Davide Altamura, Cinzia Giannini, John E Anthony, Dario Pisignano

January 2019

A new tutorial showing how to model simultaneous twinning and disorder. Includes an example of FRAG ... FEND

January 2019

Revisiting the Reactivity of Tetrachloroauric acid with N, N-Bidentate Ligands: Structural and Spectroscopic Insights. Dalton Trans. doi: 10.1039/C8DT04960B
Samuel Awuah, Randall Tyler Mertens, Jong Hyun Kim, William Jennings, Sean R Parkin

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