All Outputs (3450)

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., Evans, J. S. O., Keen, D. A., & 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..

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.

Crystal size, shape, and conformational changes drive both the disappearance and reappearance of ritonavir polymorphs in the mill. (2024)
Journal Article
Sacchi, P., Wright, S. E., Neoptolemou, P., Lampronti, G. I., Rajagopalan, A. K., Kras, W., …Cruz-Cabeza, A. J. (2024). Crystal size, shape, and conformational changes drive both the disappearance and reappearance of ritonavir polymorphs in the mill. Proceedings of the National Academy of Sciences, 121(15), Article e2319127121. https://doi.org/10.1073/pnas.2319127121

Organic compounds can crystallize in different forms known as polymorphs. Discovery and control of polymorphism is crucial to the pharmaceutical industry since different polymorphs can have significantly different physical properties which impacts th... Read More about Crystal size, shape, and conformational changes drive both the disappearance and reappearance of ritonavir polymorphs in the mill..

Programmable synthesis of organic cages with reduced symmetry (2024)
Journal Article
Andrews, K. G., Horton, P. N., & Coles, S. J. (2024). Programmable synthesis of organic cages with reduced symmetry. Chemical Science, 15(17), 6536-6543. https://doi.org/10.1039/d4sc00889h

Integrating symmetry-reducing methods into self-assembly methodology is desirable to efficiently realise the full potential of molecular cages as hosts and catalysts. Although techniques have been explored for metal organic (coordination) cages, rati... Read More about Programmable synthesis of organic cages with reduced symmetry.

Computational predictions of interfacial tension, surface tension, and surfactant adsorption isotherms (2024)
Journal Article
Li, J., Amador, C., & Wilson, M. R. (2024). Computational predictions of interfacial tension, surface tension, and surfactant adsorption isotherms. Physical Chemistry Chemical Physics, 26(15), 12107-12120. https://doi.org/10.1039/d3cp06170a

All-atom (AA) molecular dynamics (MD) simulations are employed to predict interfacial tensions (IFT) and surface tensions (ST) of both ionic and non-ionic surfactants. The general AMBER force field (GAFF) and variants are examined in terms of their p... Read More about Computational predictions of interfacial tension, surface tension, and surfactant adsorption isotherms.

Biexponential I = 3/2 Spin–Lattice Relaxation in the Solid State: Multiple-Quantum 7 Li NMR as a Probe of Fast Ion Dynamics (2024)
Journal Article
Wimperis, S., Rudman, G. E., & Johnston, K. E. (2024). Biexponential I = 3/2 Spin–Lattice Relaxation in the Solid State: Multiple-Quantum 7 Li NMR as a Probe of Fast Ion Dynamics. Journal of Physical Chemistry C, 128(13), 5453-5460. https://doi.org/10.1021/acs.jpcc.4c00262

Spin–lattice relaxation measurements are used in 7Li NMR studies of materials of potential use in solid-state Li-ion batteries as a probe of ion mobility on a fast (nanosecond to picosecond) time scale. The relaxation behavior is often analyzed by as... Read More about Biexponential I = 3/2 Spin–Lattice Relaxation in the Solid State: Multiple-Quantum 7 Li NMR as a Probe of Fast Ion Dynamics.

“Three birds with one stone” nanoplatform: Efficient near‐infrared‐triggered type‑I AIE photosensitizer for mitochondria‐targeted photodynamic therapy against hypoxic tumors (2024)
Journal Article
Liu, S., Pei, Y., Sun, Y., Wang, Z., Chen, H., Zhu, D., …Chang, Y. (2024). “Three birds with one stone” nanoplatform: Efficient near‐infrared‐triggered type‑I AIE photosensitizer for mitochondria‐targeted photodynamic therapy against hypoxic tumors. Aggregate, Article e547. https://doi.org/10.1002/agt2.547

Currently three major problems seriously limit the practical application of cancer photodynamic therapy (PDT): (i) the hypoxic tumor microenvironment (TME); (ii) low generation efficiency of toxic reactive oxygen species (ROS) in aggregates and (iii)... Read More about “Three birds with one stone” nanoplatform: Efficient near‐infrared‐triggered type‑I AIE photosensitizer for mitochondria‐targeted photodynamic therapy against hypoxic tumors.

The Chemical Reactivity of Membrane Lipids (2024)
Journal Article
Duché, G., & Sanderson, J. M. (2024). The Chemical Reactivity of Membrane Lipids. Chemical Reviews, 124(6), 3284-3330. https://doi.org/10.1021/acs.chemrev.3c00608

It is well-known that aqueous dispersions of phospholipids spontaneously assemble into bilayer structures. These structures have numerous applications across chemistry and materials science and form the fundamental structural unit of the biological m... Read More about The Chemical Reactivity of Membrane Lipids.