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Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron (2022)
Journal Article
Clarke, C. J., Gibbard, J. A., Hutton, L., Verlet, J. R., & Curchod, B. F. (2022). Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron. Nature Communications, 13(1), Article 937. https://doi.org/10.1038/s41467-022-28582-4

The photochemistry of pyruvic acid has attracted much scientific interest because it is believed to play critical roles in atmospheric chemistry. However, under most atmospherically relevant conditions, pyruvic acid deprotonates to form its conjugate... Read More about Photochemistry of the pyruvate anion produces CO2, CO, CH3–, CH3, and a low energy electron.

A Hückel Model for the Excited-State Dynamics of a Protein Chromophore Developed Using Photoelectron Imaging (2022)
Journal Article
Anstöter, C. S., & Verlet, J. R. (2022). A Hückel Model for the Excited-State Dynamics of a Protein Chromophore Developed Using Photoelectron Imaging. Accounts of Chemical Research, 55(9), 1205-1213. https://doi.org/10.1021/acs.accounts.1c00780

Chemistry can be described as the movement of nuclei within molecules and the concomitant instantaneous change in electronic structure. This idea underpins the central chemical concepts of potential energy surfaces and reaction coordinates. To experi... Read More about A Hückel Model for the Excited-State Dynamics of a Protein Chromophore Developed Using Photoelectron Imaging.

Lanthanide luminescence from supramolecular hydrogels consisting of bio-conjugated picolinic-acid-based guanosine quadruplexes (2022)
Journal Article
Kotova, O., O’Reilly, C., Barwich, S. T., Mackenzie, L. E., Lynes, A. D., Savyasachi, A. J., Ruether, M., Pal, R., Möbius, M. E., & Gunnlaugsson, T. (2022). Lanthanide luminescence from supramolecular hydrogels consisting of bio-conjugated picolinic-acid-based guanosine quadruplexes. Chem, 8(5), 1395-1414. https://doi.org/10.1016/j.chempr.2022.01.015

The formation of bio-inspired healable lanthanide luminescent hydrogels is detailed. These materials are composed of K(I)-stabilized guanosine quadruplexes (G4) that were bio-conjugated to mannose-derived picolinic acid ligand 1 using boric acid chem... Read More about Lanthanide luminescence from supramolecular hydrogels consisting of bio-conjugated picolinic-acid-based guanosine quadruplexes.

A photochemical reaction in different theoretical representations (2022)
Journal Article
Ibele, L. M., Curchod, B. F., & Agostini, F. (2022). A photochemical reaction in different theoretical representations. The Journal of Physical Chemistry A, 126(7), 1263-1281. https://doi.org/10.1021/acs.jpca.1c09604

The Born–Oppenheimer picture has forged our representation and interpretation of photochemical processes, from photoexcitation down to the passage through a conical intersection, a funnel connecting different electronic states. In this work, we analy... Read More about A photochemical reaction in different theoretical representations.

Anion-Responsive Fluorescent Supramolecular Gels (2022)
Journal Article
Picci, G., Mulvee, M. T., Caltagirone, C., Lippolis, V., Frontera, A., Gomila, R. M., & Steed, J. W. (2022). Anion-Responsive Fluorescent Supramolecular Gels. Molecules, 27(4), Article 1257. https://doi.org/10.3390/molecules27041257

Three novel bis-urea fluorescent low-molecular-weight gelators (LMWGs) based on the tetraethyl diphenylmethane spacer—namely, L1, L2, and L3, bearing indole, dansyl, and quinoline units as fluorogenic fragments, respectively, are able to form gel in... Read More about Anion-Responsive Fluorescent Supramolecular Gels.

TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs (2022)
Journal Article
Li, C., Harrison, A. K., Liu, Y., Zhao, Z., Dias, F. B., Zeng, C., …Ren, Z. (2022). TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs. Chemical Engineering Journal, 435, Article 134924. https://doi.org/10.1016/j.cej.2022.134924

A novel type of thermally activated delayed fluorescence (TADF) dendronized polymer was designed and synthesized. Firstly, one side of the asymmetric TADF unit was encapsulated by 3,6-di-tert-butylcarbazole via a conjugated linkage with strong twiste... Read More about TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs.

Improved characterization of Feshbach resonances and interaction potentials between 23Na and 87Rb atoms (2022)
Journal Article
Guo, Z., Jia, F., Zhu, B., Li, L., Hutson, J. M., & Wang, D. (2022). Improved characterization of Feshbach resonances and interaction potentials between 23Na and 87Rb atoms. Physical Review A, 105(2), Article 023313. https://doi.org/10.1103/physreva.105.023313

The ultracold mixture of 23Na and 87Rb atoms has become an important system for investigating physics in Bose-Bose atomic mixtures and for forming ultracold ground-state polar molecules. In this work, we provide an improved characterization of the mo... Read More about Improved characterization of Feshbach resonances and interaction potentials between 23Na and 87Rb atoms.

6-Chloro-3H-benzo[d][1,2,3]dithiazol-2-ium Chloride (2022)
Journal Article
Nicholls, A. J., & Baxendale, I. R. (2022). 6-Chloro-3H-benzo[d][1,2,3]dithiazol-2-ium Chloride. Molbank, 2022(1), Article M1339. https://doi.org/10.3390/m1339

This short note describes the synthesis of an amorphous benzo[1,2,3]dithiazole chloride salt (commonly known as a ‘Herz salt’) by use of the Herz reaction. Hetero- and homolytic transformations of this species to a variety of useful adducts in medici... Read More about 6-Chloro-3H-benzo[d][1,2,3]dithiazol-2-ium Chloride.

The “Magic Linker”: Highly Effective Gelation from Sterically Awkward Packing (2022)
Journal Article
Smith, J. P., Yufit, D. S., McCabe, J. F., & Steed, J. W. (2022). The “Magic Linker”: Highly Effective Gelation from Sterically Awkward Packing. Crystal Growth and Design, 22(3), 1914-1921. https://doi.org/10.1021/acs.cgd.1c01470

Bis(urea)s based on the 4,4′-methylenebis(2,6-diethylphenylene) (4,4′-MDEP) spacer are highly effective low molecular weight gelators, and the first single crystal structure of a bis(urea) based on this spacer is reported. The structure is a conforma... Read More about The “Magic Linker”: Highly Effective Gelation from Sterically Awkward Packing.

Feshbach resonances and molecule formation in ultracold mixtures of Rb and Yb(3P) atoms (2022)
Journal Article
Mukherjee, B., Frye, M. D., & Hutson, J. M. (2022). Feshbach resonances and molecule formation in ultracold mixtures of Rb and Yb(3P) atoms. Physical Review A, 105(2), Article 023306. https://doi.org/10.1103/physreva.105.023306

We have investigated magnetically tunable Feshbach resonances in ultracold collisions of Rb with Yb in its metastable 3P2 and 3P0 states, using coupled-channel scattering and bound-state calculations. For the 3P2 state, we find sharp resonances when... Read More about Feshbach resonances and molecule formation in ultracold mixtures of Rb and Yb(3P) atoms.

Synthetic Diphenylacetylene-Based Retinoids Induce DNA Damage in Chinese Hamster Ovary Cells without Altering Viability (2022)
Journal Article
Hudhud, L., Chisholm, D. R., Whiting, A., Steib, A., Pohóczky, K., Kecskés, A., …Helyes, Z. (2022). Synthetic Diphenylacetylene-Based Retinoids Induce DNA Damage in Chinese Hamster Ovary Cells without Altering Viability. Molecules, 27(3), Article 977. https://doi.org/10.3390/molecules27030977

All-trans-retinoic acid (ATRA), the active metabolite of vitamin A, plays a pivotal role in cell differentiation, proliferation and embryonic development. It is an effective therapy for dermatological disorders and malignancies. ATRA is prone to isom... Read More about Synthetic Diphenylacetylene-Based Retinoids Induce DNA Damage in Chinese Hamster Ovary Cells without Altering Viability.

Development of a setup to characterize capillary liquid bridges between liquid infused surfaces (2022)
Journal Article
Goodband, S. J., Kusumaatmaja, H., & Voïtchovsky, K. (2022). Development of a setup to characterize capillary liquid bridges between liquid infused surfaces. AIP Advances, 12(1), Article 015120. https://doi.org/10.1063/5.0072548

Capillary liquid bridges are ubiquitous in nature and are present in many industrial processes. In order to model their behavior, it is essential to develop suitable experimental tools that are able to characterize the bridges’ geometry and the assoc... Read More about Development of a setup to characterize capillary liquid bridges between liquid infused surfaces.

Conversion of butanol to propene in flow: A triple dehydration, isomerisation and metathesis cascade (2022)
Journal Article
Shi, Y., Weller, A. S., Blacker, A. J., & Dyer, P. W. (2022). Conversion of butanol to propene in flow: A triple dehydration, isomerisation and metathesis cascade. Catalysis Communications, 164, Article 106421. https://doi.org/10.1016/j.catcom.2022.106421

A combined three-step flow cascade conversion of n-butanol to propene is demonstrated. Zeolite H-ZSM-5 gives high conversion in the initial n-butanol dehydration step (98%). Subsequent isomerisation of terminal butenes to internal butenes over zeolit... Read More about Conversion of butanol to propene in flow: A triple dehydration, isomerisation and metathesis cascade.

Circularly polarised luminescence laser scanning confocal microscopy to study live cell chiral molecular interactions (2022)
Journal Article
Stachelek, P., MacKenzie, L., Parker, D., & Pal, R. (2022). Circularly polarised luminescence laser scanning confocal microscopy to study live cell chiral molecular interactions. Nature Communications, 13(1), Article 533. https://doi.org/10.1038/s41467-022-28220-z

The molecular machinery of life is founded on chiral building blocks, but no experimental technique is currently available to distinguish or monitor chiral systems in live cell bio-imaging studies. Luminescent chiral molecules encode a unique optical... Read More about Circularly polarised luminescence laser scanning confocal microscopy to study live cell chiral molecular interactions.

Anti-biofouling functional surfaces for marine aquaculture (2022)
Journal Article
Cox, H. J., Cooper, I., Kaspar, H. F., Packer, M. A., & Badyal, J. P. S. (2022). Anti-biofouling functional surfaces for marine aquaculture. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 639, Article 128313. https://doi.org/10.1016/j.colsurfa.2022.128313

Aquaculture is a global-scale industry providing sustainable production of protein-rich foods required to feed the growing world population. Microalgae cultivation in aquaculture bioreactors can exude extracellular polymeric substances leading to bio... Read More about Anti-biofouling functional surfaces for marine aquaculture.

Thermoelectric Enhancement in Single Organic Radical Molecules (2022)
Journal Article
Hurtado-Gallego, J., Sangtarash, S., Davidson, R., Rincón-García, L., Daaoub, A., Rubio-Bollinger, G., …Sadeghi, H. (2022). Thermoelectric Enhancement in Single Organic Radical Molecules. Nano Letters, 22(3), https://doi.org/10.1021/acs.nanolett.1c03698

Organic thermoelectric materials have potential for wearable heating, cooling, and energy generation devices at room temperature. For this to be technologically viable, high-conductance (G) and high-Seebeck-coefficient (S) materials are needed. For m... Read More about Thermoelectric Enhancement in Single Organic Radical Molecules.

Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes (2022)
Journal Article
Li, C., Harrison, A. K., Liu, Y., Zhao, Z., Zeng, C., Dias, F. B., …Bryce, M. R. (2022). Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes. Angewandte Chemie International Edition, 61(19), Article e202115140. https://doi.org/10.1002/anie.202115140

Two asymmetric “half-dendronized” and “half-dendronized-half-encapsulated” TADF emitters eliminate degenerate excited states, assuring a solely thermal equilibrium route for an effective spin-flip process. AEE properties can minimize the exciton quen... Read More about Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes.

Low-temperature open-air synthesis of PVP-coated NaYF4:Yb,Er,Mn upconversion nanoparticles with strong red emission (2022)
Journal Article
MacKenzie, L. E., Alvarez-Ruiz, D., & Pal, R. (2022). Low-temperature open-air synthesis of PVP-coated NaYF4:Yb,Er,Mn upconversion nanoparticles with strong red emission. Royal Society Open Science, 9(1), https://doi.org/10.1098/rsos.211508

Cubic (α-phase) NaYF4:Yb,Er upconversion nanoparticles (UCNPs) are uniquely suited to biophotonics and biosensing applications due to their near-infrared excitation and visible red emission (λex approx. 660 nm), enabling detection via thick overlying... Read More about Low-temperature open-air synthesis of PVP-coated NaYF4:Yb,Er,Mn upconversion nanoparticles with strong red emission.

Process-oriented approach towards catalyst design and optimisation (2022)
Journal Article
Abbasi, M. R., Galvanin, F., Blacker, A. J., Sorensen, E., Shi, Y., Dyer, P. W., & Gavriilidis, A. (2022). Process-oriented approach towards catalyst design and optimisation. Catalysis Communications, 163, Article 106392. https://doi.org/10.1016/j.catcom.2021.106392

Translation of catalysts developed in academia to industrial end-users remains a challenge due to a lack of knowledge about the impact of catalyst attributes on the whole process and vice versa. A systematic methodology is proposed that assesses thes... Read More about Process-oriented approach towards catalyst design and optimisation.