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Neutron scattering studies of the methanol-to-hydrocarbons reaction (2023)
Journal Article
Zachariou, A., Hawkins, A. P., Collier, P., Howe, R. F., Parker, S. F., & Lennon, D. (2023). Neutron scattering studies of the methanol-to-hydrocarbons reaction. Catalysis Science & Technology, 13(7), 1976-1990. https://doi.org/10.1039/d2cy02154d

The methanol-to-hydrocarbons reaction uses a zeolite catalyst (typically H-ZSM-5 or SAPO-34) to produce light olefins (mainly C2–C4) for chemical feedstocks and methylated benzenes for use as fuels. The reaction is a major industrial process world-wi... Read More about Neutron scattering studies of the methanol-to-hydrocarbons reaction.

Rupturing aromaticity by periphery overcrowding (2023)
Journal Article
Saha, P. K., Mallick, A., Turley, A. T., Bismillah, A. N., Danos, A., Monkman, A. P., …McGonigal, P. R. (2023). Rupturing aromaticity by periphery overcrowding. Nature Chemistry, 15(4), 516-525. https://doi.org/10.1038/s41557-023-01149-6

The balance between strain relief and aromatic stabilization dictates the form and function of non-planar π-aromatics. Overcrowded systems are known to undergo geometric deformations, but the energetically favourable π-electron delocalization of thei... Read More about Rupturing aromaticity by periphery overcrowding.

Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity (2023)
Journal Article
Mishra, A., Djoko, K. Y., Lee, Y., Lord, R. M., Kaul, G., Akhir, A., …Walton, J. W. (2023). Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity. Organic and Biomolecular Chemistry, 21(12), 2539-2544. https://doi.org/10.1039/d2ob01224c

Copper Pyrithione, [Cu(PyS)2] has shown excellent biological activity against cancer cells and bacterial cells, however, it has extremely low aqueous solubility, limiting its applicability. Herein, we report a series of PEG-substituted pyrithione cop... Read More about Water-soluble copper pyrithione complexes with cytotoxic and antibacterial activity.

Vapor Sorption and Halogen-Bond-Induced Solid-Form Rearrangement of a Porous Pharmaceutical (2023)
Journal Article
Andrews, J. L., Yufit, D. S., McCabe, J. F., Fox, M. A., & Steed, J. W. (2023). Vapor Sorption and Halogen-Bond-Induced Solid-Form Rearrangement of a Porous Pharmaceutical. Crystal Growth and Design, 23(4), 2628-2633. https://doi.org/10.1021/acs.cgd.2c01464

A porous, nonsolvated polymorph of the voltage-gated sodium channel blocker mexiletine hydrochloride absorbs iodine vapor to give a pharmaceutical cocrystal incorporating an I2Cl– anion that forms a halogen−π interaction with the mexiletine cations.... Read More about Vapor Sorption and Halogen-Bond-Induced Solid-Form Rearrangement of a Porous Pharmaceutical.

Salivary Antimicrobial Peptide Histatin-5 Does Not Display Zn(II)-Dependent or -Independent Activity against Streptococci (2023)
Journal Article
Stewart, L. J., Hong, Y., Holmes, I. R., Firth, S. J., Ahmed, Y., Quinn, J., …Djoko, K. Y. (2023). Salivary Antimicrobial Peptide Histatin-5 Does Not Display Zn(II)-Dependent or -Independent Activity against Streptococci. ACS Infectious Diseases, 9(3), 631-642. https://doi.org/10.1021/acsinfecdis.2c00578

Histatin-5 (Hst5) is a member of the histatin superfamily of cationic, His-rich, Zn(II)-binding peptides in human saliva. Hst5 displays antimicrobial activity against fungal and bacterial pathogens, often in a Zn(II)-dependent manner. In contrast, he... Read More about Salivary Antimicrobial Peptide Histatin-5 Does Not Display Zn(II)-Dependent or -Independent Activity against Streptococci.

HFO‐1234yf as a CF3 Building Block: Synthesis of Trifluoromethyl Quinoline and Chromene Derivatives from Trifluoromethyl‐ynones (2023)
Journal Article
Marsh, T. G., Santambrogio, A., Murray, B. J., Boulton, L. T., Aguilar, J. A., Yufit, D. S., …Brittain, W. D. (2023). HFO‐1234yf as a CF3 Building Block: Synthesis of Trifluoromethyl Quinoline and Chromene Derivatives from Trifluoromethyl‐ynones. European Journal of Organic Chemistry, 26(11), Article e202300058. https://doi.org/10.1002/ejoc.202300058

Trifluoromethyl ynones derived from the refrigerant gas HFO-1234yf (2,3,3,3-tetrafluoropropene) react with nucleophiles via a Michael-type addition process and the allenolate intermediate formed reacts intramolecularly with a carbonyl group to form h... Read More about HFO‐1234yf as a CF3 Building Block: Synthesis of Trifluoromethyl Quinoline and Chromene Derivatives from Trifluoromethyl‐ynones.

Magnetic Feshbach resonances between atoms in $^2$S and $^3$P$_0$ states: mechanisms and dependence on atomic properties (2023)
Journal Article
Mukherjee, B., Frye, M. D., & Hutson, J. M. (2023). Magnetic Feshbach resonances between atoms in $^2$S and $^3$P$_0$ states: mechanisms and dependence on atomic properties. Physical Review Research, 5, Article 013102. https://doi.org/10.1103/physrevresearch.5.013102

Magnetically tunable Feshbach resonances exist in ultracold collisions between atoms in 2 S and 3 P 0 states, such as an alkali-metal atom colliding with Yb or Sr in a clock state. We investigate the mechanisms of these resonances and identify the te... Read More about Magnetic Feshbach resonances between atoms in $^2$S and $^3$P$_0$ states: mechanisms and dependence on atomic properties.

Biotinylated selenocyanates: Potent and selective cytostatic agents (2023)
Journal Article
Roldán-Peña, J. M., Puerta, A., Dinić, J., Jovanović Stojanov, S., González-Bakker, A., Hicke, F. J., …López, Ó. (2023). Biotinylated selenocyanates: Potent and selective cytostatic agents. Bioorganic Chemistry, 133, Article 106410. https://doi.org/10.1016/j.bioorg.2023.106410

Most of the currently available cytotoxic agents for tackling cancer are devoid of selectivity, thus causing severe side-effects. This situation stimulated us to develop new antiproliferative agents with enhanced affinity towards tumour cells. We foc... Read More about Biotinylated selenocyanates: Potent and selective cytostatic agents.

Aided- and self-assembly of the liquid crystalline nanoparticles in bulk and in solution: computer simulation studies (2023)
Journal Article
Slyusarchuk, A., Yaremchuk, D., Lintuovori, J., Wilson, M., Grenzer, M., Sokolowski, S., & Ilnytskyi, J. (2023). Aided- and self-assembly of the liquid crystalline nanoparticles in bulk and in solution: computer simulation studies. Liquid Crystals, 50(1), 74-97. https://doi.org/10.1080/02678292.2023.2169872

We review computer simulation studies of aided and self-assembly of nanoparticles that are decorated with liquid crystalline (mesogenic) ligands, termed hereafter as liquid crystalline nanoparticles (LCNPs). In bulk, LCNPs self-assemble into ordered... Read More about Aided- and self-assembly of the liquid crystalline nanoparticles in bulk and in solution: computer simulation studies.

AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase (2023)
Journal Article
Jasilionis, A., Plotka, M., Wang, L., Dorawa, S., Lange, J., Watzlawick, H., …Freitag‐Pohl, S. (2023). AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase. Protein Science, 32(3), Article e4585. https://doi.org/10.1002/pro.4585

Bacteriophages encode a wide variety of cell wall disrupting enzymes that aid the viral escape in the final stages of infection. These lytic enzymes have accumulated notable interest due to their potential as novel antibacterials for infection treatm... Read More about AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase.

Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups (2023)
Journal Article
Davidson, R., Hsu, Y., Fox, M. A., Aguilar, J. A., Yufit, D., & Beeby, A. (2023). Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups. Inorganic Chemistry, 62(6), 2793-2805. https://doi.org/10.1021/acs.inorgchem.2c03934

Emissive compounds with long emission lifetimes (μs to ms) in the visible region are of interest for a range of applications, from oxygen sensing to cellular imaging. The emission behavior of Ir(ppy)2(acac) complexes (where ppy is the 2-phenylpyridyl... Read More about Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups.

Mechanistic Insights into Molecular Crystalline Organometallic Heterogeneous Catalysis through Parahydrogen-Based Nuclear Magnetic Resonance Studies (2023)
Journal Article
Gyton, M. R., Royle, C. G., Beaumont, S. K., Duckett, S. B., & Weller, A. S. (2023). Mechanistic Insights into Molecular Crystalline Organometallic Heterogeneous Catalysis through Parahydrogen-Based Nuclear Magnetic Resonance Studies. Journal of the American Chemical Society, 145(4), 2619-2629. https://doi.org/10.1021/jacs.2c12642

The heterogeneous solid–gas reactions of crystals of [Rh(L2)(propene)][BArF4] (1, L2 = tBu2PCH2CH2PtBu2) with H2 and propene, 1-butene, propyne, or 1-butyne are explored by gas-phase nuclear magnetic resonance (NMR) spectroscopy under batch condition... Read More about Mechanistic Insights into Molecular Crystalline Organometallic Heterogeneous Catalysis through Parahydrogen-Based Nuclear Magnetic Resonance Studies.

Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics (2023)
Journal Article
Schwaighofer, B., Gonzalez, M. A., Appel, M., Koza, M. M., & Evans, I. R. (2023). Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics. Chemistry of Materials, 35(3), 1125-1133. https://doi.org/10.1021/acs.chemmater.2c03103

We report the direct observation of oxide ion dynamics on both nano- and picosecond timescales in the isostructural Bi2O3-derived solid electrolytes Bi0.852V0.148O1.648 and Bi0.852P0.148O1.648 using quasielastic neutron scattering. Comprehensive ab i... Read More about Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics.

Platinum(IV) Complexes with Tridentate, NNC-Coordinating Ligands: Synthesis, Structures, and Luminescence (2023)
Journal Article
Dikova, Y. M., Yufit, D. S., & Williams, J. G. (2023). Platinum(IV) Complexes with Tridentate, NNC-Coordinating Ligands: Synthesis, Structures, and Luminescence. Inorganic Chemistry, 62(4), 1306-1322. https://doi.org/10.1021/acs.inorgchem.2c04116

Platinum(II) complexes of NNC-cyclometalating ligands based on 6-phenyl-2,2′-bipyridine (HL1) have been widely investigated for their luminescence properties. We describe how PtL1Cl and five analogues with differently substituted aryl rings, PtL2–6Cl... Read More about Platinum(IV) Complexes with Tridentate, NNC-Coordinating Ligands: Synthesis, Structures, and Luminescence.

Graphitization by Metal Particles (2023)
Journal Article
Goldie, S. J., & Coleman, K. S. (2023). Graphitization by Metal Particles. ACS Omega, 8(3), 3278-3285. https://doi.org/10.1021/acsomega.2c06848

Graphitization of carbon offers a promising route to upcycle waste biomass and plastics into functional carbon nanomaterials for a range of applications including energy storage devices. One challenge to the more widespread utilization of this techno... Read More about Graphitization by Metal Particles.

Self-assembled nanoparticles based on cationic mono-/AIE tetra-nuclear Ir(III) complexes: long wavelength absorption/near-infrared emission photosensitizers for photodynamic therapy (2023)
Journal Article
Wang, Z., Li, L., Wang, W., Wang, R., Li, G., Bian, H., …Bryce, M. R. (2023). Self-assembled nanoparticles based on cationic mono-/AIE tetra-nuclear Ir(III) complexes: long wavelength absorption/near-infrared emission photosensitizers for photodynamic therapy. Dalton Transactions, 52(6), 1595-1601. https://doi.org/10.1039/d2dt03809a

Cyclometalated Ir(III) complexes as photosensitizers (PSs) have attracted widespread attention because of their good photostability and efficient 1O2 production ability. However, their strong absorption in the UV-vis region severely limits their appl... Read More about Self-assembled nanoparticles based on cationic mono-/AIE tetra-nuclear Ir(III) complexes: long wavelength absorption/near-infrared emission photosensitizers for photodynamic therapy.

Low-Energy Shape Resonances of a Nucleobase in Water (2022)
Journal Article
Cooper, G. A., Clarke, C. J., & Verlet, J. R. (2022). Low-Energy Shape Resonances of a Nucleobase in Water. Journal of the American Chemical Society, 145(2), 1319-1326. https://doi.org/10.1021/jacs.2c11440

When high-energy radiation passes through aqueous material, low-energy electrons are produced which cause DNA damage. Electronic states of anionic nucleobases have been suggested as an entrance channel to capture the electron. However, identifying th... Read More about Low-Energy Shape Resonances of a Nucleobase in Water.

Chelating chloride using binuclear lanthanide complexes in water (2022)
Journal Article
Alexander, C., Thom, J. A., Kenwright, A. M., Christensen, K. E., Sørensen, T. J., & Faulkner, S. (2023). Chelating chloride using binuclear lanthanide complexes in water. Chemical Science, 14(5), 1194-1204. https://doi.org/10.1039/d2sc05417e

Halide recognition by supramolecular receptors and coordination complexes in water is a long-standing challenge. In this work, we report chloride binding in water and in competing media by pre-organised binuclear kinetically inert lanthanide complexe... Read More about Chelating chloride using binuclear lanthanide complexes in water.

In Situ Self‐Assembly of Nanoscale Particles into Macroscale Ordered Monolayers with Enhanced Memory Performance (2022)
Journal Article
Li, W., Sun, K., Yang, L., Mao, X., Deng, S., Jiang, H., …Zhu, J. (2023). In Situ Self‐Assembly of Nanoscale Particles into Macroscale Ordered Monolayers with Enhanced Memory Performance. Small, 29(11), Article 2207468. https://doi.org/10.1002/smll.202207468

In situ fabrication of macroscale ordered monolayers of nanoparticles (NPs) on targeted substrates is highly desirable for precision electronic and optical devices, while it remains a great challenge. In this study, a solution is provided to address... Read More about In Situ Self‐Assembly of Nanoscale Particles into Macroscale Ordered Monolayers with Enhanced Memory Performance.