All Outputs (65)

BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives (2024)
Journal Article
Blundell, T. J., Ogar, J. O., Brannan, M. J., Rusbridge, E. K., Wallis, J. D., Akutsu, H., …Martin, L. (2024). BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives. RSC Advances, 14(26), 18444-18452. https://doi.org/10.1039/d4ra03425b

The family of radical-cation salts β′′-(BEDT-TTF)4[(A)M3+(C2O4)3]·guest (M = Fe, Cr, Ga, Al, Co, Mn, Rh, Ru; A = K+, H3O+, NH4+) has produced superconductors, metals, semiconductors, and metal–insulators through introduction of different guest molecu... Read More about BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.

Solid/Gas In Crystallo Reactivity of an Ir(I) Methylidene Complex (2024)
Journal Article
Altus, K. M., Sajjad, M. A., Gyton, M. R., Whitwood, A. C., Page, S. J., Macgregor, S. A., & Weller, A. S. (2024). Solid/Gas In Crystallo Reactivity of an Ir(I) Methylidene Complex. Organometallics, https://doi.org/10.1021/acs.organomet.4c00119

In crystallo stabilization of known, but solution unstable, methylidene complex [Ir(tBu-PONOP)(═CH2)][BArF4] allows single-crystal to single-crystal solid/gas reactivity associated with the {Ir═CH2} group to be studied. Addition of H2 results in [Ir(... Read More about Solid/Gas In Crystallo Reactivity of an Ir(I) Methylidene Complex.

Phenol is its own selectivity promoter in low-temperature liquid-phase hydrogenation (2024)
Journal Article
Bell, J., Poncet, A., Li, L., Zachariou, A., Whiston, K., & Beaumont, S. K. (2024). Phenol is its own selectivity promoter in low-temperature liquid-phase hydrogenation. Catalysis Today, 441, Article 114875. https://doi.org/10.1016/j.cattod.2024.114875

Phenol hydrogenation is widely studied for selective production of the chemical intermediate cyclohexanone. A plethora of studies in the literature have reported catalysts aiming to achieve high selectivity compared to Pd/C. However, we demonstrate t... Read More about Phenol is its own selectivity promoter in low-temperature liquid-phase hydrogenation.

Predicting the increase in electron affinity of phenoxy upon fluorination (2024)
Journal Article
Clarke, C. J., Gibbard, J. A., Brittain, W. D. G., & Brittain, J. R. R. (in press). Predicting the increase in electron affinity of phenoxy upon fluorination. Journal of Fluorine Chemistry, 277, Article 110306. https://doi.org/10.1016/j.jfluchem.2024.110306

Curating Morphological Data: From the Compendium of P. von Groth to the Cambridge Structural Database (2024)
Journal Article
Black, S. N., & Seton, L. (2024). Curating Morphological Data: From the Compendium of P. von Groth to the Cambridge Structural Database. Crystal Growth and Design, 24(12), 5051-5060. https://doi.org/10.1021/acs.cgd.4c00269

Local Structure and Dynamics in MPt(CN) 6 Prussian Blue Analogues (2024)
Journal Article
Harbourne, E., Barker, H., Guéroult, Q., Cattermull, J., Nagle-Cocco, L. A. V., Roth, N., …Goodwin, A. L. (2024). Local Structure and Dynamics in MPt(CN) 6 Prussian Blue Analogues. Chemistry of Materials, 36(11), 5796-5804. https://doi.org/10.1021/acs.chemmater.4c01013

We use a combination of X-ray pair distribution function (PDF) measurements, lattice dynamical calculations, and ab initio density functional theory (DFT) calculations to study the local structure and dynamics in various MPt­(CN)6 Prussian blue analo... Read More about Local Structure and Dynamics in MPt(CN) 6 Prussian Blue Analogues.

Isomeric modulation of thermally activated delayed fluorescence in dibenzo[ a, c ]phenazine-based (deep) red emitters (2024)
Journal Article
Brebels, S., Cardeynaels, T., Jackers, L., Kuila, S., Penxten, H., Salthouse, R. J., Danos, A., Monkman, A. P., Champagne, B. R., & Maes, W. (2024). Isomeric modulation of thermally activated delayed fluorescence in dibenzo[ a, c ]phenazine-based (deep) red emitters. Journal of Materials Chemistry C Materials for optical and electronic devices, 12(25), 9255-9265. https://doi.org/10.1039/d4tc01214c

A series of four emissive regio-isomers are synthesized based on the dibenzo[a, c]phenazine-11,12-dicarbonitrile (DBPzCN) acceptor scaffold and a triphenylamine (TPA) donor. Density functional theory is utilized to compare the relative differences in... Read More about Isomeric modulation of thermally activated delayed fluorescence in dibenzo[ a, c ]phenazine-based (deep) red emitters.

Observing S-Matrix Pole Flow in Resonance Interplay (2024)
Journal Article
Chilcott, M., Gayen, S., Croft, J., Thomas, R., & Kjærgaard, N. (2024). Observing S-Matrix Pole Flow in Resonance Interplay. Few-Body Systems, 65(2), Article 61. https://doi.org/10.1007/s00601-024-01930-4

We provide an overview of experiments exploring resonances in the collision of ultracold clouds of atoms. Using a laser-based accelerator that capitalises on the energy resolution provided by the ultracold atomic setting, we unveil resonance phenomen... Read More about Observing S-Matrix Pole Flow in Resonance Interplay.

Computational Insights into Dion–Jacobson Type Oxide Ion Conductors (2024)
Journal Article
Schwaighofer, B., Gonzalez, M. A., & Evans, I. R. (2024). Computational Insights into Dion–Jacobson Type Oxide Ion Conductors. Journal of Physical Chemistry C, 128(22), 8894-8899. https://doi.org/10.1021/acs.jpcc.4c01166

Dion–Jacobson type materials have recently emerged as a new structural family of oxide ion conductors, materials important for applications in a variety of electrochemical devices. While some attempts to improve their ionic conductivity have been rep... Read More about Computational Insights into Dion–Jacobson Type Oxide Ion Conductors.

Bose-Einstein condensation of non-ground-state caesium atoms (2024)
Journal Article
Horvath, M., Dhar, S., Das, A., Frye, M. D., Guo, Y., Hutson, J. M., …Nägerl, H. (2024). Bose-Einstein condensation of non-ground-state caesium atoms. Nature Communications, 15(1), Article 3739. https://doi.org/10.1038/s41467-024-47760-0

Bose-Einstein condensates of ultracold atoms serve as low-entropy sources for a multitude of quantum-science applications, ranging from quantum simulation and quantum many-body physics to proof-of-principle experiments in quantum metrology and quantu... Read More about Bose-Einstein condensation of non-ground-state caesium atoms.

Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation (2024)
Journal Article
Shields, C. E., Fellowes, T., Slater, A. G., Cooper, A., Andrews, K. G., & Szczypiński, F. T. (2024). Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation. Chemical Communications, 60(47), 6023-6026. https://doi.org/10.1039/d4cc01407c

Organic cages can possess complex, functionalised cavities that make them promising candidates for synthetic enzyme mimics. Conformationally flexible, chemically robust structures are needed for adaptable guest binding and catalysis, but rapidly exch... Read More about Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation.

Effect of ruthenium(II) complexes on MDA-MB-231 cells and lifespan/tumor growth in gld-1mutant, Daf-16 TF and stress productive genes: A perspective study. (2024)
Journal Article
Nandhini, S., Thiruppathi, G., Ranjani, M., Puschmann, H., Ravi, M., Sundararaj, P., & Prabhakaran, R. (2024). Effect of ruthenium(II) complexes on MDA-MB-231 cells and lifespan/tumor growth in gld-1mutant, Daf-16 TF and stress productive genes: A perspective study. Journal of Inorganic Biochemistry, 257, Article 112580. https://doi.org/10.1016/j.jinorgbio.2024.112580

Pincer type coumarin based N-substituted semicarbazone ligands HL and their corresponding ruthenium(II) complexes (1-4) were synthesized, analyzed and confirmed by various spectro analytical techniques. The molecular structure of the ligand HL and... Read More about Effect of ruthenium(II) complexes on MDA-MB-231 cells and lifespan/tumor growth in gld-1mutant, Daf-16 TF and stress productive genes: A perspective study..

TREATMENT OF LEISHMANIASIS (2024)
Patent
Denny, P., Steel, P., & Lyne, V. (2024). TREATMENT OF LEISHMANIASIS. WO 2024/084186 A1

The invention relates to compounds of formula (I), which may be used in the treatment of microbial infections. In particular, compounds of formula (I) are effective at treating leishmaniasis. The invention extends to novel compositions, therapies and... Read More about TREATMENT OF LEISHMANIASIS.

Orthogonal printing of uniform nanocomposite monolayer and oriented organic semiconductor crystals for high-performance nano-crystal floating gate memory (2024)
Journal Article
Mao, X., Yang, Y., Yang, L., Qian, H., Li, W., Zhao, W., …Zhu, J. (2024). Orthogonal printing of uniform nanocomposite monolayer and oriented organic semiconductor crystals for high-performance nano-crystal floating gate memory. Journal of Colloid and Interface Science, 668, 232-242. https://doi.org/10.1016/j.jcis.2024.04.160

Inkjet printing is of great interest in the preparation of optoelectronic and microelectronic devices due to its low cost, low process temperature, versatile material compatibility, and ability to precisely manufacture multi-layer devices on demand.... Read More about Orthogonal printing of uniform nanocomposite monolayer and oriented organic semiconductor crystals for high-performance nano-crystal floating gate memory.

Revealing crucial effects of reservoir environment and hydrocarbon fractions on fluid behaviour in kaolinite pores (2024)
Journal Article
Zhao, R., Xue, H., Lu, S., Greenwell, H. C., & Erastova, V. (2024). Revealing crucial effects of reservoir environment and hydrocarbon fractions on fluid behaviour in kaolinite pores. Chemical Engineering Journal, 489, Article 151362. https://doi.org/10.1016/j.cej.2024.151362

The adsorption interactions of hydrocarbons and clay surfaces are crucial to understanding fluid behaviour within shale reservoirs and to mediating organic pollutants in soils. These interactions are affected by the diversity of complex hydrocarbon c... Read More about Revealing crucial effects of reservoir environment and hydrocarbon fractions on fluid behaviour in kaolinite pores.

Using Chiral Auxiliaries to Mimic the Effect of Chiral Media on the Structure of Lanthanide(III) Complexes Common in Bioimaging and Diagnostic MRI. (2024)
Journal Article
Nielsen, L. G., Andersen, H. O. B., Kenwright, A. M., Platas-Iglesias, C., & So Rensen, T. J. (2024). Using Chiral Auxiliaries to Mimic the Effect of Chiral Media on the Structure of Lanthanide(III) Complexes Common in Bioimaging and Diagnostic MRI. Inorganic Chemistry, 63(17), 7560 - 7570. https://doi.org/10.1021/acs.inorgchem.3c01589

[Ln·DOTA] complexes and systems derived therefrom are commonly used in MRI and optical bioimaging. These lanthanide(III) complexes are chiral, and, in solution, they are present in four forms, with two sets of enantiomers, with the ligand donors arr... Read More about Using Chiral Auxiliaries to Mimic the Effect of Chiral Media on the Structure of Lanthanide(III) Complexes Common in Bioimaging and Diagnostic MRI..

Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes (2024)
Journal Article
Wu, L., Holzapfel, M., Schmiedel, A., Peng, F., Moos, M., Mentzel, P., Shi, J., Neubert, T., Bertermann, R., Finze, M., Fox, M. A., Lambert, C., & Ji, L. (2024). Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes. Nature Communications, 15(1), Article 3005. https://doi.org/10.1038/s41467-024-47384-4

Icosahedral carboranes, C₂ B₁₀ H₁₂, have long been considered to be aromatic but the extent of conjugation between these clusters and their substituents is still being debated. m- and p-Carboranes are compared with m- and p-phenylenes as conjugated b... Read More about Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes.

Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels (2024)
Journal Article
Gibbard, J. A., Kellow, C. S., & Verlet, J. R. R. (2024). Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels. Physical Chemistry Chemical Physics, 26(15), 12053-12059. https://doi.org/10.1039/d4cp00309h

Photoelectron spectroscopy and electronic structure calculations are used to investigate the electronic structure of the deprotonated anionic form of the aromatic amino acid tryptophan, and its chromophore, indole. The photoelectron spectra of trypto... Read More about Photoelectron spectroscopy of the deprotonated tryptophan anion: the contribution of deprotomers to its photodetachment channels.

Advances in electrochemical detection of bacterial biofilm metabolites (2024)
Journal Article
Haghighian, N., & Kataky, R. (2024). Advances in electrochemical detection of bacterial biofilm metabolites. Current Opinion in Electrochemistry, 46, Article 101486. https://doi.org/10.1016/j.coelec.2024.101486

Bacterial biofilms are structured communities of microorganisms that play a critical role in various industries and healthcare settings, contributing to chronic infections and biofouling issues. Understanding the metabolites produced by bacterial bio... Read More about Advances in electrochemical detection of bacterial biofilm metabolites.

Applications of Transition Metal-Catalyzed ortho-Fluorine-Directed C–H Functionalization of (Poly)fluoroarenes in Organic Synthesis (2024)
Journal Article
Budiman, Y. P., Perutz, R. N., Steel, P. G., Radius, U., & Marder, T. B. (2024). Applications of Transition Metal-Catalyzed ortho-Fluorine-Directed C–H Functionalization of (Poly)fluoroarenes in Organic Synthesis. Chemical Reviews, 124(8), 4822-4862. https://doi.org/10.1021/acs.chemrev.3c00793

The synthesis of organic compounds efficiently via fewer steps but in higher yields is desirable as this reduces energy and reagent use, waste production, and thus environmental impact as well as cost. The reactivity of C–H bonds ortho to fluorine su... Read More about Applications of Transition Metal-Catalyzed ortho-Fluorine-Directed C–H Functionalization of (Poly)fluoroarenes in Organic Synthesis.