All Outputs (1459)

Machine learning insights into predicting biogas separation in metal-organic frameworks (2024)
Journal Article
Cooley, I., Boobier, S., Hirst, J. D., & Besley, E. (2024). Machine learning insights into predicting biogas separation in metal-organic frameworks. Communications Chemistry, 7, Article 102. https://doi.org/10.1038/s42004-024-01166-7

Breakthroughs in efficient use of biogas fuel depend on successful separation of carbon dioxide/methane streams and identification of appropriate separation materials. In this work, machine learning models are trained to predict biogas separation pro... Read More about Machine learning insights into predicting biogas separation in metal-organic frameworks.

Fluid-rock interaction experiments with andesite at 100°C for potential carbon storage in geothermal reservoirs (2024)
Journal Article
Belshaw, G. E., Steer, E., Ji, Y., Azis, H., Sapiie, B., Muljadi, B., & Vandeginste, V. (2024). Fluid-rock interaction experiments with andesite at 100°C for potential carbon storage in geothermal reservoirs. Deep Underground Science and Engineering, https://doi.org/10.1002/dug2.12097

Geothermal energy extraction often results in the release of naturally occurring carbon dioxide (CO2) as a byproduct. Research on carbon storage using volcanic rock types other than basalt under both acidic and elevated temperature conditions has bee... Read More about Fluid-rock interaction experiments with andesite at 100°C for potential carbon storage in geothermal reservoirs.

Strain-modulated defect engineering of two-dimensional materials (2024)
Journal Article
Santra, P., Ghaderzadeh, S., Ghorbani-Asl, M., Komsa, H., Besley, E., & Krasheninnikov, A. V. (2024). Strain-modulated defect engineering of two-dimensional materials. npj 2D Materials and Applications, 8, Article 33. https://doi.org/10.1038/s41699-024-00472-x

Strain- and defect-engineering are two powerful approaches to tailor the opto-electronic properties of two-dimensional (2D) materials, but the relationship between applied mechanical strain and behavior of defects in these systems remains elusive. Us... Read More about Strain-modulated defect engineering of two-dimensional materials.

Simultaneous geraniol and citronellol transesterification using Pseudomonas fluorescens lipase for the production of fragrance and flavour esters: a kinetic study (2024)
Journal Article
Wikaputri, A. S., Irvine, D. J., Stockman, R. A., & Shivaprasad, P. (2024). Simultaneous geraniol and citronellol transesterification using Pseudomonas fluorescens lipase for the production of fragrance and flavour esters: a kinetic study. Journal of Agriculture and Food Research, 16, Article 101186. https://doi.org/10.1016/j.jafr.2024.101186

This study aims to develop, for the very first time, a kinetic model for the simultaneous transesterification of geraniol and citronellol using Pseudomonas fluorescens lipase to produce their respective esters. This allows us to test the feasibility... Read More about Simultaneous geraniol and citronellol transesterification using Pseudomonas fluorescens lipase for the production of fragrance and flavour esters: a kinetic study.

Synthesis and Structural Studies of peri-Substituted Acenaphthenes with Tertiary Phosphine and Stibine Groups (2024)
Journal Article
Taylor, L. J., Lawson, E. E., Cordes, D. B., Athukorala Arachchige, K. S., Slawin, A. M. Z., Chalmers, B. A., & Kilian, P. (2024). Synthesis and Structural Studies of peri-Substituted Acenaphthenes with Tertiary Phosphine and Stibine Groups. Molecules, 29(8), Article 1841. https://doi.org/10.3390/molecules29081841

Two mixed peri-substituted phosphine-chlorostibines, Acenap(PiPr2)(SbPhCl) and Acenap(PiPr2)(SbCl2) (Acenap = acenaphthene-5,6-diyl) reacted cleanly with Grignard reagents or nBuLi to give the corresponding tertiary phosphine-stibines Acenap(PiPr2)(S... Read More about Synthesis and Structural Studies of peri-Substituted Acenaphthenes with Tertiary Phosphine and Stibine Groups.

From scrap metal to highly efficient electrodes: harnessing the nanotextured surface of swarf for effective utilisation of Pt and Co for hydrogen production (2024)
Journal Article
Thangamuthu, M., Kohlrausch, E. C., Li, M., Speidel, A., Clare, A. T., Plummer, R., …Alves Fernandes, J. (2024). From scrap metal to highly efficient electrodes: harnessing the nanotextured surface of swarf for effective utilisation of Pt and Co for hydrogen production. Journal of Materials Chemistry A, https://doi.org/10.1039/d4ta00711e

Hydrogen is considered to be the key element to achieving climate neutrality, leading to a massive demand for electrocatalysts. This work explores the transformation of metal waste into active and stable electrode materials for water splitting by mod... Read More about From scrap metal to highly efficient electrodes: harnessing the nanotextured surface of swarf for effective utilisation of Pt and Co for hydrogen production.

A facile one step route that introduces functionality to polymer powders for laser sintering (2024)
Journal Article
Krumins, E., Crawford, L. A., Rogers, D. M., Machado, F., Taresco, V., East, M., …Howdle, S. M. (2024). A facile one step route that introduces functionality to polymer powders for laser sintering. Nature Communications, 15(1), Article 3137. https://doi.org/10.1038/s41467-024-47376-4

Laser Sintering (LS) is a type of Additive Manufacturing (AM) exploiting laser processing of polymeric particles to produce 3D objects. Because of its ease of processability and thermo-physical properties, polyamide-12 (PA-12) represents ~95% of the... Read More about A facile one step route that introduces functionality to polymer powders for laser sintering.

Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations (2024)
Journal Article
Seymour, J., Gousseva, E., Towers Tompkins, F., Parker, L., Alblewi, N., Clarke, C. J., …Lovelock, K. R. J. (2024). Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations. Faraday Discussions, https://doi.org/10.1039/d4fd00029c

Using a combination of liquid-phase experimental X-ray spectroscopy experiments and small-scale calculations we have gained new insights into the speciation of halozincate anions in ionic liquids (ILs). Both core and valence X-ray photoelectron spect... Read More about Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations.

Beyond Acetylene: Exploring Solvent Stabilization of Calcium Carbide‐derived Acetylide Intermediates and Their Significance in Small Organic Molecule Synthesis (2024)
Journal Article
Hainer, A. S., Lanterna, A. E., & Scaiano, J. C. (2024). Beyond Acetylene: Exploring Solvent Stabilization of Calcium Carbide‐derived Acetylide Intermediates and Their Significance in Small Organic Molecule Synthesis. ChemistrySelect, 9(14), Article e202400501. https://doi.org/10.1002/slct.202400501

The reaction of calcium carbide with water has been widely used as a source of acetylene for the synthesis of organic molecules. In contrast with this traditional approach, we use the CaC2 reaction under water-starved conditions and show reactions th... Read More about Beyond Acetylene: Exploring Solvent Stabilization of Calcium Carbide‐derived Acetylide Intermediates and Their Significance in Small Organic Molecule Synthesis.

Modulated Self-Assembly of Catalytically Active Metal–Organic Nanosheets Containing Zr6 Clusters and Dicarboxylate Ligands (2024)
Journal Article
Prasad, R. R. R., Boyadjieva, S. S., Zhou, G., Tan, J., Firth, F. C. N., Ling, S., …Forgan, R. S. (2024). Modulated Self-Assembly of Catalytically Active Metal–Organic Nanosheets Containing Zr6 Clusters and Dicarboxylate Ligands. ACS Applied Materials and Interfaces, 16(14), 17812–17820. https://doi.org/10.1021/acsami.4c00604

Two-dimensional metal–organic nanosheets (MONs) have emerged as attractive alternatives to their three-dimensional metal–organic framework (MOF) counterparts for heterogeneous catalysis due to their greater external surface areas and higher accessibi... Read More about Modulated Self-Assembly of Catalytically Active Metal–Organic Nanosheets Containing Zr6 Clusters and Dicarboxylate Ligands.

Co-delivery of curcumin and resveratrol by folic acid-conjugated poly(glycerol adipate) nanoparticles for enhanced synergistic anticancer effect against osteosarcoma (2024)
Journal Article
Wongrakpanich, A., Bui Thi Thu, H., Sakchaisri, K., Taresco, V., Cuzzucoli Crucitti, V., Bunsupa, S., & Suksiriworapong, J. (2024). Co-delivery of curcumin and resveratrol by folic acid-conjugated poly(glycerol adipate) nanoparticles for enhanced synergistic anticancer effect against osteosarcoma. Journal of Drug Delivery Science and Technology, 95, Article 105610. https://doi.org/10.1016/j.jddst.2024.105610

This study explored the co-delivery of curcumin (CUR) and resveratrol (RV) using folic acid-conjugated poly(glycerol adipate)-based nanoparticles (FPPC NPs) to enhance their synergistic anticancer effects against osteosarcoma. Based on synergistic to... Read More about Co-delivery of curcumin and resveratrol by folic acid-conjugated poly(glycerol adipate) nanoparticles for enhanced synergistic anticancer effect against osteosarcoma.

Discovery of novel SOS1 inhibitors using machine learning (2024)
Journal Article
Duo, L., Chen, Y., Liu, Q., Ma, Z., Farjudian, A., Yong Ho, W., …Tang, B. (2024). Discovery of novel SOS1 inhibitors using machine learning. RSC Medicinal Chemistry, 15(4), 1392-1403. https://doi.org/10.1039/D4MD00063C

Overactivation of the rat sarcoma virus (RAS) signaling is responsible for 30% of all human malignancies. Son of sevenless 1 (SOS1), a crucial node in the RAS signaling pathway, could modulate RAS activation, offering a promising therapeutic strategy... Read More about Discovery of novel SOS1 inhibitors using machine learning.

Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines (2024)
Journal Article
Kopp, R. O., Kleynemeyer, S. L., Groth, L. J., Ernst, M. J., Rupf, S. M., Weber, M., …Müller, C. (2024). Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines. Chemical Science, 15, 5496-5506. https://doi.org/10.1039/d3sc05930h

Tetrapyridyl-functionalized phosphinines were prepared and structurally characterized. The donor-functionalized aromatic phosphorus heterocycles react highly selectively and even reversibly with water. Calculations reveal P,N-cooperativity for this p... Read More about Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.

A diterpene synthase from the sandfly Lutzomyia longipalpis produces the pheromone sobralene (2024)
Journal Article
Ducker, C., Baines, C., Guy, J., Euzébio Goulart Santana, A., Pickett, J. A., & Oldham, N. J. (2024). A diterpene synthase from the sandfly Lutzomyia longipalpis produces the pheromone sobralene. Proceedings of the National Academy of Sciences, 121(12), Article e2322453121. https://doi.org/10.1073/pnas.2322453121

The phlebotomine sandfly, Lutzomyia longipalpis, a major vector of the Leishmania parasite, uses terpene pheromones to attract conspecifics for mating. Examination of the L. longipalpis genome revealed a putative terpene synthase (TPS), which—upon he... Read More about A diterpene synthase from the sandfly Lutzomyia longipalpis produces the pheromone sobralene.

Synthesis, structure and stereodynamics of atropisomeric N-chloroamides (2024)
Journal Article
Campbell, A. D. G., Roper, N. J., Waddell, P. G., Wills, C., Dixon, C. M., Denton, R. M., …Armstrong, R. J. (2024). Synthesis, structure and stereodynamics of atropisomeric N-chloroamides. Chemical Communications, 60(28), 3818-3821. https://doi.org/10.1039/d4cc00268g

Atropisomeric N-chloroamides were efficiently accessed by electrophilic halogenation of ortho-substituted secondary anilides. The stereodynamics of atropisomerism in these novel scaffolds was interrogated by detailed experimental and computational st... Read More about Synthesis, structure and stereodynamics of atropisomeric N-chloroamides.

Structure and chemical composition of the Mg electrode during cycling in a simple glyme electrolyte (2024)
Journal Article
Dimogiannis, K., Sankowski, A., Holc, C., Parmenter, C. D., Newton, G. N., Walsh, D. A., …Johnson, L. R. (2024). Structure and chemical composition of the Mg electrode during cycling in a simple glyme electrolyte. Energy Storage Materials, 67, Article 103280. https://doi.org/10.1016/j.ensm.2024.103280

The volumetric energy density of magnesium exceeds that of lithium, making magnesium batteries particularly promising for next-generation energy storage. However, electrochemical cycling of magnesium electrodes in common battery electrolytes is coulo... Read More about Structure and chemical composition of the Mg electrode during cycling in a simple glyme electrolyte.

Synergy of nanocrystalline carbon nitride with Cu single atom catalyst leads to selective photocatalytic reduction of CO2 to methanol (2024)
Journal Article
LeMercier, T. M., Thangamuthu, M., Kohlrausch, E. C., Chen, Y., Stoppiello, C. T., Fay, M. W., …Khlobystov, A. N. (2024). Synergy of nanocrystalline carbon nitride with Cu single atom catalyst leads to selective photocatalytic reduction of CO2 to methanol. Sustainable Energy and Fuels, 1691-1703. https://doi.org/10.1039/D4SE00028E

Carbon nitride (C3N4) possesses both a band gap in the visible range and a low-lying conduction band potential, suitable for water splitting and CO2 reduction reactions (CO2RR). Yet, bulk C3N4 (b-C3N4) suffers from structural disorder leading to slug... Read More about Synergy of nanocrystalline carbon nitride with Cu single atom catalyst leads to selective photocatalytic reduction of CO2 to methanol.

Understanding the Electron Beam Resilience of Two-Dimensional Conjugated Metal–Organic Frameworks (2024)
Journal Article
Mücke, D., Cooley, I., Liang, B., Wang, Z., Park, S., Dong, R., …Kaiser, U. (2024). Understanding the Electron Beam Resilience of Two-Dimensional Conjugated Metal–Organic Frameworks. Nano Letters, 24(10), 3014–3020. https://doi.org/10.1021/acs.nanolett.3c04125

Knowledge of the atomic structure of layer-stacked two-dimensional conjugated metal–organic frameworks (2D c-MOFs) is an essential prerequisite for establishing their structure–property correlation. For this, atomic resolution imaging is often the me... Read More about Understanding the Electron Beam Resilience of Two-Dimensional Conjugated Metal–Organic Frameworks.

Glycerol- and diglycerol-based polyesters: Evaluation of backbone alterations upon nano-formulation performance (2024)
Journal Article
Axioti, E., Dixon, E. G., Reynolds-Green, M., Alexander, E. C., Brugnoli, B., Keddie, D. J., …Taresco, V. (2024). Glycerol- and diglycerol-based polyesters: Evaluation of backbone alterations upon nano-formulation performance. Colloids and Surfaces B: Biointerfaces, 236, Article 113828. https://doi.org/10.1016/j.colsurfb.2024.113828

Despite the success of polyethylene glycol-based (PEGylated) polyesters in the drug delivery and biomedical fields, concerns have arisen regarding PEG's immunogenicity and limited biodegradability. In addition, inherent limitations, including limited... Read More about Glycerol- and diglycerol-based polyesters: Evaluation of backbone alterations upon nano-formulation performance.

Spin-state dependent pressure responsiveness of Fe(<scp>ii</scp>)-based triazolate metal–organic frameworks (2024)
Journal Article
Kronawitter, S. M., Röβ-Ohlenroth, R., Hallweger, S. A., Hirrle, M., Krug von Nidda, H., Luxenhofer, T., …Kieslich, G. (2024). Spin-state dependent pressure responsiveness of Fe(ii)-based triazolate metal–organic frameworks. Journal of Materials Chemistry C, 12(14), 4954-4960. https://doi.org/10.1039/d4tc00360h

Fe(II)-containing Metal–Organic Frameworks (MOFs) that exhibit temperature-induced spin-crossover (SCO) are candidate materials in the field of sensing, barocalorics, and data storage. Their responsiveness towards pressure is therefore of practical i... Read More about Spin-state dependent pressure responsiveness of Fe(<scp>ii</scp>)-based triazolate metal–organic frameworks.