Article
Materials Science, Multidisciplinary
Peter Schoderboeck, Kevin Ploner
Summary: The production of molybdenum from MoO3 in industrial scale was compared with laboratory scale reduction. Different process conditions and scales resulted in kinetically controlled and thermodynamically controlled reductions. Similar intermediates were formed in both processes with different crystallographic structures, which were identified using crystallographic methods.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Wenbo Li, Georgina C. Girt, Ashish Radadiya, James J. P. Stewart, Nigel G. J. Richards, James H. Naismith
Summary: The biosynthetic enzyme ForT catalyzes the formation of a C-C bond and distinguishes between different molecules, providing insights for biocatalytic production. This study utilizes biophysical measurements, structural biology, and quantum chemical calculations to understand ForT-catalyzed C-C bond formation and conformational changes. The findings have implications for the production of novel anti-viral compounds.
Article
Multidisciplinary Sciences
Luke E. Formosa, Shadi Maghool, Alice J. Sharpe, Boris Reljic, Linden Muellner-Wong, David A. Stroud, Michael T. Ryan, Megan J. Maher
Summary: COA7 is a crucial assembly factor for the biogenesis of mitochondrial complex IV. It interacts with SCO1 and SCO2 to catalyze copper relay and reduction of disulfide bonds, which are important for complex IV assembly.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
Irene R. A. M. Ogutu, Martin St Maurice, Brian Bennett, Richard C. Holz
Summary: Mutation of the strictly conserved alpha Ser162 residue in PtNHase resulted in two different protein species, one with full complement of cobalt ions and activity, while the other showed no observable activity. Mutants of the axial alpha Cys108 ligand also displayed catalytic competence without the need for transient disulfide bond formation.
Article
Physics, Applied
Jong Woo Kim, Mathew J. Cherukara, Ashish Tripathi, Zhang Jiang, Jin Wang
Summary: Coherent surface scattering imaging requires a mathematical conversion to visualize specimen structures, which can now be predicted using a deep learning neural network model to instantly obtain results from scattering patterns. This is highly beneficial for both experimental effectiveness and data analysis.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Cen Chen, Ziyuan Fang, Zhen Huang
Summary: Crystallization phasing and obtaining high-quality crystals are major challenges for X-ray crystallographic analysis of nucleic acids. In this study, the authors addressed these challenges by incorporating selenium atoms into DNA duplexes, which resulted in larger and higher quality crystals compared to standard DNA crystals. These findings provide a simple strategy to overcome crystallization challenges in nucleic acid crystallography.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Multidisciplinary Sciences
Akimitsu Higuchi, Wataru Shihoya, Masae Konno, Tatsuya Ikuta, Hideki Kandori, Keiichi Inoue, Osamu Nureki
Summary: SzRs, a newly identified rhodopsin family in Asgard archaea, exhibit unique kinetic behaviors in inward H+ release compared to other H+ pumps. The crystal structure of SzR AM_5_00977 revealed that key residues and structural features are different from other microbial rhodopsins, suggesting a distinct mechanism for inward H+ release.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Biology
Hai Li, Chia-Ying Huang, Elena G. Govorunova, Oleg A. Sineshchekov, Adrian Yi, Kenneth J. Rothschild, Meitian Wang, Lei Zheng, John L. Spudich
Summary: The crystal structure of bromide-bound GtACR1 reveals structural changes that relax the constrictions of the channel and involve a novel salt-bridge switch mechanism. These findings suggest that substrate binding induces a transition from an inactivated state to a pre-activated state in the dark, facilitating channel opening.
Article
Biochemistry & Molecular Biology
Kazumasa Muramoto, Kyoko Shinzawa-Itoh
Summary: The crystal structure of bovine cytochrome c oxidase (CcO) reveals the presence of a bound sodium ion (Na+), while the addition of calcium ions (Ca2+) causes spectral changes and inhibition of enzymatic activity. The crystal structure of Ca2+-bound bovine CcO in both the oxidized and reduced states was determined, showing different coordination geometries compared to Na+. The binding of Ca2+ does not significantly affect enzymatic function, but rather induces redox-coupled structural changes. The relationship between Ca2+ binding and inhibitory effect, as well as the potential role of Ca2+, are discussed.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
(2023)
Article
Chemistry, Physical
Cesar Augusto Fernandez-Gijon, Jessica Olvera-Mancilla, Ronan Le Lagadec, Norah Barba-Behrens, Hugo Rico-Bautista, Ruben A. Toscano, Larissa Alexandrova
Summary: The structural and electronic properties of five 2-substituted 1H-perimidines were studied, revealing their existence in solid state as zwitterions with aliphatic acidic substituents at the 2-position. Additionally, screening against different cancer cell lines was conducted and compared with structure-property relationships and theoretical calculations. The effect of inclusion of water molecules in the crystal lattice on molecular packing was also analyzed.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Sunbin Deng, Jiaxi Cai, Stephen C. Harrison, Huilin Zhou, Stephen M. Hinshaw
Summary: Successful mitosis relies on the correct attachment of chromosomes to microtubules. The kinetochore plays a crucial role in this process by recognizing specific chromatin and ensuring the formation of only one kinetochore per chromatid at the correct location. The crystal structure of the Cse4 peptide bound to the inner kinetochore Okp1-Ame1 complex provides insights into centromere recognition and the organization of the inner kinetochore.
Article
Chemistry, Inorganic & Nuclear
Nicolas Zapp, Denis Sheptyakov, Alexandra Franz, Holger Kohlmann
Summary: Substituting hydrogen for oxygen atoms in metal oxides influences the solid-state properties, and holmium hydride oxide exhibits high thermal stability and inertness towards air, with an ordered fluorite superstructure.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Jiali Yang, Takahiro Mori, Xingxing Wei, Yudai Matsuda, Ikuro Abe
Summary: The novel isomerase NsrQ from Aspergillus novofumigatus plays a key role in the biosynthesis of fungal tetrahydroxanthones by catalyzing a two-step isomerization reaction. Through biochemical and structural characterizations, it was found that NsrQ and its homologue Dcr3 utilize Glu and His residues as acid-base catalysts and important hydrophobic residues for shaping the active site pocket for substrate binding. The crystal structures of NsrQ and Dcr3 revealed their cone-shaped alpha + beta barrel fold and similarities to the nuclear transport factor 2-like superfamily enzymes.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Multidisciplinary Sciences
Oliver F. Harder, Sarah V. Barrass, Marcel Drabbels, Ulrich J. Lorenz
Summary: Microsecond time-resolved cryo-EM allows for observation of fast protein dynamics, as demonstrated by the contraction of the CCMV capsid induced by a pH jump.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Filip Topic, Joseph M. Marrett, Tristan H. Borchers, Hatem M. Titi, Christopher J. Barrett, Tomislav Friscic
Summary: This study presents the first X-ray single crystal structures of hypochlorite and hypobromite salts, shedding light on the solid-state geometry and supramolecular chemistry of hypohalite ions through variable-temperature Raman spectroscopy and periodic density-functional theory calculations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Iain A. Smellie, Ross S. Forgan, Claire Brodie, Jack S. Gavine, Leanne Harris, Daniel Houston, Andrew D. Hoyland, Rory P. McCaughan, Andrew J. Miller, Liam Wilson, Fiona M. Woodhall
JOURNAL OF CHEMICAL EDUCATION
(2016)
Article
Chemistry, Multidisciplinary
Michael Buhl, Sharon E. Ashbrook, Daniel M. Dawson, Rachel A. Doyle, Peter Hrobarik, Martin Kaupp, Iain A. Smellie
CHEMISTRY-A EUROPEAN JOURNAL
(2016)
Article
Chemistry, Multidisciplinary
Iain A. Smellie, Joanna K. D. Aldred (Nee Prentis), Benjamin Bower, Amber Cochrane, Laurie Macfarlane, Hollie B. McCarron, Roxana O'Hara, Iain L. J. Patterson, Marie I. Thomson, Jessica M. Walker
JOURNAL OF CHEMICAL EDUCATION
(2017)
Article
Chemistry, Multidisciplinary
Kevin M. Jones, Iain A. Smellie, Iain L. J. Patterson
JOURNAL OF CHEMICAL EDUCATION
(2017)
Article
Biochemistry & Molecular Biology
Jesko Koehnke, Falk Morawitz, Andrew F. Bent, Wael E. Houssen, Sally L. Shirran, Matthew A. Fuszard, Iain A. Smellie, Catherine H. Botting, Margaret C. M. Smith, Marcel Jaspars, James H. Naismith
Article
Chemistry, Physical
Daniel M. Dawson, Lauren E. Jamieson, M. Infas H. Mohideen, Alistair C. McKinlay, Iain A. Smellie, Romain Cadou, Neil S. Keddie, Russell E. Morris, Sharon E. Ashbrook
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2013)
Article
Chemistry, Multidisciplinary
Iain A. Smellie, Yusra Abdelhamid, Cameron L. Carpenter-Warren, David B. Cordes, Clement Elliott, Sarah Lamorte, Iain L. J. Patterson, William Sanders, Iain P. Sandison, Alexandra M. Z. Slawin, Dominic M. Stewart, Samuel N. Walters
JOURNAL OF CHEMICAL EDUCATION
(2020)
Article
Chemistry, Multidisciplinary
Iain A. Smellie, Cameron L. Carpenter-Warren, Brian A. Chalmers, David B. Cordes, Rodrigo P. F. De A. Gouy, Neil S. Keddie, Tomas Lebl, Iain L. J. Patterson, Alexandra M. Z. Slawin
Summary: This work introduces a simple protocol using a low-cost carbon monoxide detector to detect the release of carbon monoxide gas from thermal cheletropic decarbonylation reactions. The detection method has been applied in a series of short experiments conducted in university teaching labs, with full procedures outlined including isolation and identification of the decarbonylation products.
JOURNAL OF CHEMICAL EDUCATION
(2021)
Article
Chemistry, Organic
Corrin Blake, Brian A. Chalmers, Lewis A. Clough, Dylan Clunie, David B. Cordes, Tomas Lebl, Timothy R. McDonald, Siobhan R. Smith, Elliott Stuart-Morrison, Iain A. Smellie
Summary: The title compound was characterized for the first time using X-ray crystallography, and the previously reported H-1 NMR, C-13 NMR, and IR spectroscopic data were also updated.
Article
Chemistry, Organic
Brian A. Chalmers, David B. Cordes, Lauren Bertram, Daniel J. Harraghy, Rachel C. Reid, Iain A. Smellie, Anna E. Tarcza, Brodie J. Thomson
Summary: Three heteronuclear bimetallic complexes were synthesized using H2L as a ligand and characterized through various techniques. The complexes exhibit specific geometric structures with copper adopting a five-coordinate square pyramidal geometry and lanthanoid cations adopting a ten-coordinate geometry.
Article
Chemistry, Organic
Brian A. Chalmers, David B. Cordes, Thomas Doig, Yuanyuan Du, Tomas Lebl, Meiyue Liu, Fraser Mealyou, Jasmine Rainer, Siobhan R. Smith, Ryan Walker, Iain A. Smellie
Summary: X-ray crystallography is used for the first time to characterize the title compound, and the H-1 NMR, C-13 NMR, and IR spectroscopic data from earlier reports are also updated.
Article
Chemistry, Multidisciplinary
Lauren A. Keiller, Iain L. J. Patterson, Dominic M. Stewart, Iain A. Smellie
Summary: The use of red cabbage extract as a pH indicator is a versatile demonstration that is popular in many educational institutions. In this report, we highlight the ability of red cabbage extract to function as invisible ink. Colorless solutions are prepared by bleaching anthocyanin extracts, and these solutions can be used to write hidden messages on paper. The invisible ink can then be revealed using citric acid solution or potassium aluminum sulfate.
JOURNAL OF CHEMICAL EDUCATION
(2023)
Article
Chemistry, Multidisciplinary
Daniel M. Dawson, Zhipeng Ke, Frederick M. Mack, Rachel A. Doyle, Giulia P. M. Bignami, Iain A. Smellie, Michael Buhl, Sharon E. Ashbrook
CHEMICAL COMMUNICATIONS
(2017)
Article
Chemistry, Organic
Iain A. S. Smellie, R. Michael Paton
