All Outputs (1472)

Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation (2022)
Journal Article
Jordan, J. W., Chernov, A. I., Rance, G. A., Stephen Davies, E., Lanterna, A. E., Alves Fernandes, J., …Khlobystov, A. N. (2023). Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation. Journal of the American Chemical Society, 145(2), 1206-1215. https://doi.org/10.1021/jacs.2c10961

Boron nitride nanotubes (BNNTs) are an emerging class of molecular container offering new functionalities and possibilities for studying molecules at the nanoscale. Herein, BNNTs are demonstrated as highly effective nanocontainers for polyoxometalate... Read More about Host–Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation.

Effect of sweeteners and carbonation on aroma partitioning and release in beverage systems (2022)
Journal Article
Yeo, H., Linforth, R., MacNaughtan, W., Williams, H., Hewson, L., & Fisk, I. D. (2023). Effect of sweeteners and carbonation on aroma partitioning and release in beverage systems. Food Research International, 164, Article 112373. https://doi.org/10.1016/j.foodres.2022.112373

The effect of monosaccharides (glucose, fructose and galactose) and disaccharides (sucrose and lactose) at 10, 20 and 30 % w/v on the in-vitro aroma partitioning of C - C aldehydes and ethyl esters, as well as limonene (concentration of aroma compo... Read More about Effect of sweeteners and carbonation on aroma partitioning and release in beverage systems.

Comparative analysis of protein expression systems and PTM landscape in the study of transcription factor ELK-1 (2022)
Journal Article
Ducker, C., Ratnam, M., Shaw, P. E., & Layfield, R. (2023). Comparative analysis of protein expression systems and PTM landscape in the study of transcription factor ELK-1. Protein Expression and Purification, 203, Article 106216. https://doi.org/10.1016/j.pep.2022.106216

Post-translational modifications (PTMs) are important for protein folding and activity, and the ability to recreate physiologically relevant PTM profiles on recombinantly-expressed proteins is vital for meaningful functional analysis. The ETS transcr... Read More about Comparative analysis of protein expression systems and PTM landscape in the study of transcription factor ELK-1.

Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method (2022)
Journal Article
Wibowo, M., Huynh, B. C., Cheng, C. Y., Irons, T. J. P., & Teale, A. M. (2022). Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method. Molecular Physics, Article e2152748. https://doi.org/10.1080/00268976.2022.2152748

The maximum overlap method (MOM) provides a simple but powerful approach for performing calculations on excited states by targeting solutions with non-Aufbau occupations from a reference set of molecular orbitals. In this work, the MOM is used to acc... Read More about Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method.

meta-Selective C–H arylation of phenols via regiodiversion of electrophilic aromatic substitution (2022)
Journal Article
Senior, A., Ruffell, K., & Ball, L. T. (2022). meta-Selective C–H arylation of phenols via regiodiversion of electrophilic aromatic substitution. Nature Chemistry, https://doi.org/10.1038/s41557-022-01101-0

Electrophilic aromatic substitution is among the most widely used mechanistic manifolds in organic chemistry. Access to certain substitution patterns is, however, precluded by intrinsic and immutable substituent effects that ultimately restrict the d... Read More about meta-Selective C–H arylation of phenols via regiodiversion of electrophilic aromatic substitution.

Microporous metallic scaffolds supported liquid infused icephobic construction (2022)
Journal Article
Wu, M., Wang, J., Ling, S., Wheatley, R., & Hou, X. (2023). Microporous metallic scaffolds supported liquid infused icephobic construction. Journal of Colloid and Interface Science, 634, 369-378. https://doi.org/10.1016/j.jcis.2022.12.034

Hypothesis: Ice accretion on component surfaces often causes severe impacts or accidents. Liquid-infused surfaces (LIS) have drawn much attention as icephobic materials for ice mitigation in recent years due to their outstanding icephobicity. However... Read More about Microporous metallic scaffolds supported liquid infused icephobic construction.

Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope (2022)
Journal Article
Fung, K. L., Weare, B. L., Fay, M. W., Argent, S. P., & Khlobystov, A. N. (2023). Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope. Micron, 165, Article 103395. https://doi.org/10.1016/j.micron.2022.103395

Reactivity of a series of related molecules under the 80 keV electron beam have been investigated and correlated with their structures and chemical composition. Hydrogenated and halogenated derivatives of hexaazatrinaphthylene, coronene, and phthaloc... Read More about Reactions of polyaromatic molecules in crystals under electron beam of the transmission electron microscope.

Glycosylated proteins in the protozoan alga Euglena gracilis: a proteomic approach (2022)
Journal Article
O'Neill, E. C. (2023). Glycosylated proteins in the protozoan alga Euglena gracilis: a proteomic approach. FEMS Microbiology Letters, 370, Article fnac120. https://doi.org/10.1093/femsle/fnac120

Protein glycosylation, and in particular N-linked glycans, is a hallmark of eukaryotic cells and has been well-studied in mammalian cells and parasites. However, little research has been conducted to investigate the conservation and variation of prot... Read More about Glycosylated proteins in the protozoan alga Euglena gracilis: a proteomic approach.

Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response (2022)
Journal Article
Wadge, M. D., Bird, M. A., Sankowski, A., Constantin, H., Fay, M. W., Cooper, T. P., …Grant, D. M. (2023). Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response. Advanced Materials Interfaces, 10(5), Article 2201523. https://doi.org/10.1002/admi.202201523

This study describes the chemical conversion and heat treatment of Ti6Al4V microspheres (Ti6_MS), and the resulting effects on their electrocatalytic properties. The wet-chemical conversion (5.0m NaOH, 60°C, 24h; Sample label: Ti6_TC) converts the to... Read More about Nanostructured, Alkaline Titanate‐Converted, and Heat‐Treated Ti6Al4V Microspheres via Wet‐Chemical Alkaline Modification and their ORR Electrocatalytic Response.

Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones (2022)
Journal Article
Mehmood, H., Musa, M., Woodward, S., Hossan, M. S., Bradshaw, T. D., Haroon, M., …Akhtar, T. (2022). Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones. RSC Advances, 12(52), 34126-34141. https://doi.org/10.1039/d2ra03226k

Cyclization of substituted thiosemicarbazones with α-bromo-4-cyanoacetophenone allows rapid single-step sustainable syntheses of 4-cyanophenyl-2-hydrazinylthiazoles libraries (30 examples, 66–79%). All show anticancer efficacy against HCT-116 and MCF... Read More about Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones.

Development of nanoparticle loaded microneedles for drug delivery to a brain tumour resection site (2022)
Journal Article
Muresan, P., McCrorie, P., Smith, F., Vasey, C., Taresco, V., Scurr, D. J., …Marlow, M. (2023). Development of nanoparticle loaded microneedles for drug delivery to a brain tumour resection site. European Journal of Pharmaceutics and Biopharmaceutics, 182, 53-61. https://doi.org/10.1016/j.ejpb.2022.11.016

Systemic drug delivery to the central nervous system (CNS) has been historically impeded by the presence of the blood brain barrier rendering many therapies inefficacious to any cancer cells residing within the brain. Therefore, local drug delivery s... Read More about Development of nanoparticle loaded microneedles for drug delivery to a brain tumour resection site.

Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study (2022)
Journal Article
Irons, T. J. P., Huynh, B. C., Teale, A. M., De Proft, F., & Geerlings, P. (2022). Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study. Molecular Physics, https://doi.org/10.1080/00268976.2022.2145245

The effect of strong magnetic fields on the charge distribution of the hydrogen halides, H2O and NH3 is studied in the context of recent extensions of conceptual density functional theory to include additional variables such as external magnetic fiel... Read More about Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study.

SirA inhibits the essential DnaA:DnaD interaction to block helicase recruitment during Bacillus subtilis sporulation (2022)
Journal Article
Winterhalter, C., Stevens, D., Fenyk, S., Pelliciari, S., Marchand, E., Soultanas, P., …Murray, H. (2023). SirA inhibits the essential DnaA:DnaD interaction to block helicase recruitment during Bacillus subtilis sporulation. Nucleic Acids Research, 51(9), 4302-4321. https://doi.org/10.1093/nar/gkac1060

Bidirectional DNA replication from a chromosome origin requires the asymmetric loading of two helicases, one for each replisome. Our understanding of the molecular mechanisms underpinning helicase loading at bacterial chromosome origins is incomplete... Read More about SirA inhibits the essential DnaA:DnaD interaction to block helicase recruitment during Bacillus subtilis sporulation.

Euglena International Network (EIN): Driving euglenoid biotechnology for the benefit of a challenged world (2022)
Journal Article
Ebenezer, T. G. E., Low, R. S., O'Neill, E. C., Huang, I., DeSimone, A., Farrow, S. C., …Field, M. C. (2022). Euglena International Network (EIN): Driving euglenoid biotechnology for the benefit of a challenged world. Biology Open, 11(11), Article 059561. https://doi.org/10.1242/bio.059561

Euglenoids (Euglenida) are unicellular flagellates possessing exceptionally wide geographical and ecological distribution. Euglenoids combine a biotechnological potential with a unique position in the eukaryotic tree of life. In large part these micr... Read More about Euglena International Network (EIN): Driving euglenoid biotechnology for the benefit of a challenged world.

An Embedded Fragment Method for Molecules in Strong Magnetic Fields (2022)
Journal Article
Speake, B. T., Irons, T. J. P., Wibowo, M., Johnson, A. G., David, G., & Teale, A. M. (2022). An Embedded Fragment Method for Molecules in Strong Magnetic Fields. Journal of Chemical Theory and Computation, 18(12), 7412-7427. https://doi.org/10.1021/acs.jctc.2c00865

An extension of the embedded fragment method for calculations on molecular clusters is presented, which includes strong external magnetic fields. The approach is flexible, allowing for calculations at the Hartree-Fock, current-density-functional theo... Read More about An Embedded Fragment Method for Molecules in Strong Magnetic Fields.

Visible Light‐Mediated Reactions of β‐Nitroalkenes (2022)
Journal Article
Sivanandan, S. T., Jesline, M. J., Nair, D. K., & Kumar, T. (2023). Visible Light‐Mediated Reactions of β‐Nitroalkenes. Asian Journal of Organic Chemistry, 12(1), Article e202200555. https://doi.org/10.1002/ajoc.202200555

Organic transformations using visible light-mediated photoredox reactions received significant attention in the past several years. Recently, nitroalkenes have emerged as an excellent coupling partner in the visible light-mediated photoredox reaction... Read More about Visible Light‐Mediated Reactions of β‐Nitroalkenes.

Umpolung Synthesis of Pyridyl Ethers by Bi(V)‐Mediated O‑Arylation of Pyridones (2022)
Journal Article
Ruffell, K., Gallegos, L., Ling, K., Paton, R. S., & Ball, L. T. (2022). Umpolung Synthesis of Pyridyl Ethers by Bi(V)‐Mediated O‑Arylation of Pyridones. Angewandte Chemie International Edition, 61(51), Article e202212873. https://doi.org/10.1002/anie.202212873

We report that O-selective arylation of 2- and 4-pyridones with arylboronic acids is affected by a modular, bismacycle-based system. The utility of this umpolung approach to pyridyl ethers, which is complementary to conventional methods based on S N... Read More about Umpolung Synthesis of Pyridyl Ethers by Bi(V)‐Mediated O‑Arylation of Pyridones.

Phospholenes from Phosphabenzenes by Selective Ring Contraction (2022)
Journal Article
Lin, J., Coles, N. T., Dettling, L., Steiner, L., Witte, J. F., Paulus, B., & Müller, C. (2022). Phospholenes from Phosphabenzenes by Selective Ring Contraction. Chemistry - A European Journal, 28(72), Article e202203406. https://doi.org/10.1002/chem.202203406

A 3-amino-functionalized phosphabenzene (phosphinine) has been synthesized and structurally characterized. The pyramidalized nitrogen atom of the dimethylamino substituent indicates only a weak interaction between the lone pair of the nitrogen atom a... Read More about Phospholenes from Phosphabenzenes by Selective Ring Contraction.

Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8–12) (2022)
Journal Article
Turley, A. T., Hanson-Heine, M. W. D., Argent, S. P., Hu, Y., Jones, T. A., Fay, M., & Woodward, S. (2023). Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8–12). Chemical Science, 14(1), 70-77. https://doi.org/10.1039/d2sc05348a

Previously inaccessible large S8-corona[n]arene macrocycles (n = 8-12) with alternating aryl and 1,4-C6F4 subunits are easily prepared on up to gram scales, without the need for chromatography (up to 45% yield, 10 different examples) through new high... Read More about Catalysis enabled synthesis, structures, and reactivities of fluorinated S8-corona[n]arenes (n = 8–12).

Reactivity of Sodium Pentaphospholide Na[cyclo ‐P 5] towards C≡E (E=C, N, P) Triple Bonds (2022)
Journal Article
Petrov, A., Conrad, L., Coles, N. T., Weber, M., Andrae, D., Zagidullin, A., …Müller, C. (2022). Reactivity of Sodium Pentaphospholide Na[cyclo ‐P 5] towards C≡E (E=C, N, P) Triple Bonds. Chemistry - A European Journal, 28(67), Article e202203056. https://doi.org/10.1002/chem.202203056

A diglyme solution of Na[cyclo-P5] (1) reacts with alkynes and isolobal nitriles and phosphaalkynes to afford the otherwise elusive (aza)phospholide anions 2 a–c, 4 a,b, and 6. The reaction of Na[cyclo-P5] with alkynes and nitriles was studied by mea... Read More about Reactivity of Sodium Pentaphospholide Na[cyclo ‐P 5] towards C≡E (E=C, N, P) Triple Bonds.