Themed collection Celebrating the 200th Anniversary of the University of Manchester

73 items - Showing page 1 of 2
Open Access Review Article

Current development, optimisation strategies and future perspectives for lead-free dielectric ceramics in high field and high energy density capacitors

This review highlights the remarkable advancements and future trends in bulk ceramics, MLCCs and ceramic thin films for lead-free high field and high energy density capacitors.

Graphical abstract: Current development, optimisation strategies and future perspectives for lead-free dielectric ceramics in high field and high energy density capacitors
Open Access Review Article

Mechanical reinforcement from two-dimensional nanofillers: model, bulk and hybrid polymer nanocomposites

This review explores recent advances in the mechanical reinforcement of polymer nanocomposites using 2D nanofillers, focusing on the mechanisms of reinforcement, evaluation of model and bulk nanocomposites, and the effects of hybrid filler combinations.

Graphical abstract: Mechanical reinforcement from two-dimensional nanofillers: model, bulk and hybrid polymer nanocomposites
From the themed collection: Recent Review Articles
Open Access Review Article

f-Element heavy pnictogen chemistry

In this review, the molecular chemistry of the f-elements with heavy pnictogen ligands from phosphorus to bismuth is described.

Graphical abstract: f-Element heavy pnictogen chemistry
Open Access Review Article

Knotting matters: orderly molecular entanglements

We review recent progress in molecular knotting, the chemistry of orderly molecular entanglements. As complex nanotopologies become increasingly accessible they may play significant roles in molecular design.

Graphical abstract: Knotting matters: orderly molecular entanglements
Review Article

Dispersant-assisted liquid-phase exfoliation of 2D materials beyond graphene

Dispersant-assisted liquid-phase exfoliation allows the production of a wide range of water-based 2D material dispersions. This review provides an overview on this production method and also gives some perspectives on future research directions.

Graphical abstract: Dispersant-assisted liquid-phase exfoliation of 2D materials beyond graphene
Open Access Tutorial Review

Strategies for designing biocatalysts with new functions

Enzymes can be optimized to accelerate chemical transformations via a range of methods. In this review, we showcase how protein engineering and computational design techniques can be interfaced to develop highly efficient and selective biocatalysts.

Graphical abstract: Strategies for designing biocatalysts with new functions
Open Access Tutorial Review

Spin–phonon coupling and magnetic relaxation in single-molecule magnets

Electron–phonon coupling underlies many physical phenomena, but its microscopic origins are nuanced. This Review derives the spin–phonon interactions in molecules from first principles, and describes an implementation for molecular spin dynamics calculations.

Graphical abstract: Spin–phonon coupling and magnetic relaxation in single-molecule magnets
Open Access Tutorial Review

Biocatalytic amide bond formation

The state-of-the-art of biocatalytic amide bond formation is discussed with the help of a manually curated database of enzymatic amidation reactions.

Graphical abstract: Biocatalytic amide bond formation
Open Access Communication

Aminoarylation of alkynes using diarylanilines

Intermolecular aminoarylation of alkynes is described, via addition of diarylanilines to alkynes and Smiles–Truce rearrangement.

Graphical abstract: Aminoarylation of alkynes using diarylanilines
Open Access Communication

High adsorption of ammonia in a titanium-based metal–organic framework

A robust titanium-based metal–organic framework, MFM-300(Ti), exhibits an exceptional NH3 adsorption of 23.4 mmol g−1 with a record-high packing density of 0.84 g cm−3, promoted by strong binding interactions of NH3 to the framework oxygen sites.

Graphical abstract: High adsorption of ammonia in a titanium-based metal–organic framework
From the themed collection: ChemComm 60th Anniversary Collection
Open Access Communication

Recovering sensitivity lost through convection in pure shift NMR

Pure shift NMR experiments using cryoprobes can give very disappointing results. We show that signal losses and phase distortions are a consequence of sample convection, and demonstrate a simple adjustment that restores the lost signal.

Graphical abstract: Recovering sensitivity lost through convection in pure shift NMR
Communication

Highly phosphorescent carbene–metal–carboranyl complexes of copper(I) and gold(I)

Phosphorescent “carbene–metal–carboranyl” (CMC) complexes of copper(I) and gold(I) with radiative rate 3.4 × 105 s−1 enable blue organic light emitting diodes.

Graphical abstract: Highly phosphorescent carbene–metal–carboranyl complexes of copper(i) and gold(i)
Open Access Communication

Olefin hydroboration catalyzed by an iron-borane complex

Metal–Ligand cooperativity using a well-defined iron(0)complex catalyzes olefin hydroboration.

Graphical abstract: Olefin hydroboration catalyzed by an iron-borane complex
Open Access Communication

Ultra-selective 1D clean in-phase correlation spectroscopy

GEMSTONE CLIP-COSY: a new NMR experiment for determination of the direct bonding network of nuclei whose NMR signals overlap.

Graphical abstract: Ultra-selective 1D clean in-phase correlation spectroscopy
Open Access Communication

Resolving the complexity in human milk oligosaccharides using pure shift NMR methods and CASPER

Computational methods for resonance assignments are combined with pure shift NMR spectroscopy and automatic peak-picking for efficient structural analysis of oligosaccharides.

Graphical abstract: Resolving the complexity in human milk oligosaccharides using pure shift NMR methods and CASPER
Open Access Communication

Ultra-selective, ultra-clean 1D rotating-frame Overhauser effect spectroscopy

A new ultra-selective 1D ROESY method which enables clear, unambiguous assignment of through-space interactions, providing insight into 3D structure and conformation.

Graphical abstract: Ultra-selective, ultra-clean 1D rotating-frame Overhauser effect spectroscopy
Open Access Communication

Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species

We present a molecular dynamics approach to explore the conformational landscape of proteins analyzed by ion mobility-mass spectrometry, providing new insights into the structural properties of metallothioneins, a cellular zinc buffer system.

Graphical abstract: Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability of zinc metallothionein-2 species
Open Access Communication

Determination of molecular hydration in solution via changes in magnetic anisotropy

The hydration behaviour of coordination complexes is important for understanding their roles as bio-imaging agents. We use EPR to determine that a carboxylate PARASHIFT reagent coordinates water while the phosphinate analogue does not.

Graphical abstract: Determination of molecular hydration in solution via changes in magnetic anisotropy
Open Access Communication

Influence of pressure on a dysprosocenium single-molecule magnet

The effects of high-pressure on the structural and magnetic properties of the dysprosocenium cation are analyzed. Combined with periodic calculations, correlations between structural deformations and magnetic relaxation characteristics are obtained.

Graphical abstract: Influence of pressure on a dysprosocenium single-molecule magnet
Open Access Communication

Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium

A bis-phospholide framework allows isolation, structural, and spectroscopic characterisation of isostructural lanthanide, uranium, neptunium, and plutonium σ-bonded hydrocarbyl complexes.

Graphical abstract: Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium
Open Access Communication

Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron

Exclusive formation of an integratively sorted tetrahedral complex enables incorporating a unique vertex.

Graphical abstract: Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron
Open Access Communication

High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions

To understand the exceptional adsorption of NH3 in MFM-300(Sc), we report a full study of the mechanism of adsorption by in situ neutron diffraction, inelastic neutron scattering, synchrotron infrared microspectroscopy, and 45Sc NMR spectroscopy.

Graphical abstract: High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions
Open Access Communication

Assessment of minimal active space CASSCF-SO methods for calculation of atomic Slater–Condon and spin–orbit coupling parameters in d- and f-block ions

CASSCF-SO calculations in OpenMolcas are used to determine Slater-Condon and SOC parameters for 3dn, 4dn, 5dn and 4fn ions. We quantify the error of minimal active space approaches and compare to other similar methods.

Graphical abstract: Assessment of minimal active space CASSCF-SO methods for calculation of atomic Slater–Condon and spin–orbit coupling parameters in d- and f-block ions
Communication

Hydrocarbon contamination in angström-scale channels

Air-borne hydrocarbon contamination is investigated for slit-like angstrom-channels made from 2D-materials, using gas flow measurements. Our results constitute a new way to monitor, assess and alleviate the hydrocarbon contamination in nanochannels.

Graphical abstract: Hydrocarbon contamination in angström-scale channels
Open Access Communication

Real-time monitoring of crystallization from solution by using an interdigitated array electrode sensor

An Interdigitated array Electrode sensor (IES) is used for real-time monitoring of the crystallization dynamics of organic molecules, achieving a temporal resolution of 15 ms.

Graphical abstract: Real-time monitoring of crystallization from solution by using an interdigitated array electrode sensor
Communication

Insights into D4h@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex

We report a D4h@Dy single-molecule magnet (SMM) with a Ueff energy barrier of 1565 K, one of the highest energy barriers for any 6-coordinate lanthanide SMM.

Graphical abstract: Insights into D4h@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex
Open Access Edge Article

Mechanochemical generation of aryne

An aryne intermediate is generated upon mechanical dissociation of a benzocyclobutene mechanophore. Such force-generated reactive species could be used in materials and synthesis.

Graphical abstract: Mechanochemical generation of aryne
From the themed collection: 2024 Chemical Science Covers
Open Access Edge Article

Quantifying the influence of 3d–4s mixing on linearly coordinated metal-ions by L2,3-edge XAS and XMCD

X-ray absorption spectroscopy and dichroism are applied to probe the effect of 3d–4s mixing on electronic structure and magnetism for linearly coordinated Mn, Fe, Co, Ni and Cu.

Graphical abstract: Quantifying the influence of 3d–4s mixing on linearly coordinated metal-ions by L2,3-edge XAS and XMCD
Open Access Edge Article

13Ccarbene nuclear magnetic resonance chemical shift analysis confirms CeIV[double bond, length as m-dash]C double bonding in cerium(IV)–diphosphonioalkylidene complexes

A combined solid-state NMR and DFT computational shielding study confirms the presence of Ce[double bond, length as m-dash]C double bonds in cerium–diphosphonioalkylidene complexes.

Graphical abstract: 13Ccarbene nuclear magnetic resonance chemical shift analysis confirms CeIV [[double bond, length as m-dash]] C double bonding in cerium(iv)–diphosphonioalkylidene complexes
Open Access Edge Article

Electronic structure comparisons of isostructural early d- and f-block metal(III) bis(cyclopentadienyl) silanide complexes

We report an isostructural series of early metal complexes containing cyclopentadienyl (Cp)-supported M–Si bonds. Differences in the extent of metal–ligand covalency causes a magnetic anisotropy switch between d- and f-block metals.

Graphical abstract: Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes
Open Access Edge Article

Interplay between chromophore binding and domain assembly by the B12-dependent photoreceptor protein, CarH

The function of the bacterial photoreceptor protein, CarH, is regulated by changes to its oligomeric state. Camacho et al. detail how binding of vitamin B12 in the dark drives assembly of the protein tetramer that in turn blocks transcription.

Graphical abstract: Interplay between chromophore binding and domain assembly by the B12-dependent photoreceptor protein, CarH
Open Access Edge Article

Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes

Studies on equatorial donor and C[double bond, length as m-dash]Dy[double bond, length as m-dash]C angle variation effects on energy barriers to the slow relaxation of magnetisation are reported.

Graphical abstract: Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes
Open Access Edge Article

Site-to-site peptide transport on a molecular platform using a small-molecule robotic arm

Peptides are transported in either direction between chemically similar sites on a molecular platform, substrate repositioning is achieved using a cysteine hydrazide transporter module and a small-molecule robotic arm controlled by a rotary switch.

Graphical abstract: Site-to-site peptide transport on a molecular platform using a small-molecule robotic arm
Open Access Edge Article

CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth

Generic in silico methodology – CrystalGrower – for simulating crystal habit and nanoscopic surface topology to determine crystallisation free energies.

Graphical abstract: CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth
Open Access Paper

Innovations in water desalination: enhancing air gap membrane distillation performance by the incorporation of clay nanoparticles into PVDF matrix membranes

Adding clay nanoparticles into PVDF MMMs enhances MD performance. Higher OMT loadings improve contact angle, LEP, and flux. Long-term operation shows no flux reduction. Humic acid foulant reduces clay membrane flux by 45% vs. 60% for commercial PVDF.

Graphical abstract: Innovations in water desalination: enhancing air gap membrane distillation performance by the incorporation of clay nanoparticles into PVDF matrix membranes
From the themed collection: Recent Open Access Articles
Open Access Paper

Transfer learning of hyperparameters for fast construction of anisotropic GPR models: design and application to the machine-learned force field FFLUX

This work introduces a transfer learning (TL) protocol that accelerates the training of anisotropic Gaussian process regression models while preserving their excellent predictive capability.

Graphical abstract: Transfer learning of hyperparameters for fast construction of anisotropic GPR models: design and application to the machine-learned force field FFLUX
Open Access Paper

On the biocatalytic synthesis of silicone polymers

A biocatalytic approach for polydimethylsiloxane synthesis is demonstrated using silicatein-α, an enzyme from marine sponges that catalyses the hydrolysis and condensation of Si–O bonds.

Graphical abstract: On the biocatalytic synthesis of silicone polymers
From the themed collection: Biocatalysis
Open Access Paper

Unity fluorescent carbene–gold(I)–acetylide complexes with two-photon absorption and energy-efficient blue FOLEDs

Two-photon absorption chromophores suitable for the construction of energy-efficient blue fluorescent OLEDs.

Graphical abstract: Unity fluorescent carbene–gold(i)–acetylide complexes with two-photon absorption and energy-efficient blue FOLEDs
Open Access Paper

An in situ DRIFTS-MS study on elucidating the role of V in the selective oxidation of methacrolein to methacrylic acid over heteropolyacid compounds

The role of vanadium in 11-molybdo-1-vanadophosphoric acid (H4PMo11VO40, HPMoV) has been investigated and compared with 12-modybdophosphoric acid (H3PMo12O40, HPMo) using in situ DRIFTS-MS technique.

Graphical abstract: An in situ DRIFTS-MS study on elucidating the role of V in the selective oxidation of methacrolein to methacrylic acid over heteropolyacid compounds
Open Access Paper

A novel microfluidic tool for the evaluation of local drug delivery systems in simulated in vivo conditions

A novel 3D-printed microfluidic tool for assessing local drug delivery systems (LDD) in simulated in vivo conditions.

Graphical abstract: A novel microfluidic tool for the evaluation of local drug delivery systems in simulated in vivo conditions
Open Access Paper

Efficiency droop in zincblende InGaN/GaN quantum wells

Cubic zincblende InGaN/GaN quantum wells are free of the electric fields that reduce recombination efficiency in hexagonal wurtzite wells.

Graphical abstract: Efficiency droop in zincblende InGaN/GaN quantum wells
Open Access Paper

Machine learning-aided engineering of a cytochrome P450 for optimal bioconversion of lignin fragments

Using molecular dynamics, machine learning, and density functional theory calculations we make predictions on engineered cytochrome P450 structures and their product distributions.

Graphical abstract: Machine learning-aided engineering of a cytochrome P450 for optimal bioconversion of lignin fragments
Open Access Paper

Investigating the reliability and interpretability of machine learning frameworks for chemical retrosynthesis

EvalRetro: Unifying the evaluation of machine learning frameworks to enhance understanding and transparency for retrosynthesis.

Graphical abstract: Investigating the reliability and interpretability of machine learning frameworks for chemical retrosynthesis
Open Access Paper

Possibilities and limitations of convolutional neural network machine learning architectures in the characterisation of achiral orthogonal smectic liquid crystals

An investigation of the phase sequence isotropic-fluid smectic-hexatic smectic-soft crystal–crystalline reveals the potential and limitations of convolutional neural networks applied to the classification of achiral orthogonal liquid crystal phases.

Graphical abstract: Possibilities and limitations of convolutional neural network machine learning architectures in the characterisation of achiral orthogonal smectic liquid crystals
Open Access Paper

The effects of selectively blocking the electron transport layer of n-i-p perovskite solar cells with polymer particles on device performance

We use insulating polystyrene colloid particles to selectively cover the electron transport layer of n-i-p perovskite solar cells and investigate the effects of the coverage and lateral blocking distance on device performance.

Graphical abstract: The effects of selectively blocking the electron transport layer of n-i-p perovskite solar cells with polymer particles on device performance
Open Access Paper

Computational study of the interactions of tetravalent actinides (An = Th–Pu) with the α-Fe13 Keggin cluster

The interactions of the early actinides with molecular Fe13 Keggin species of relevance to Sellafield's Enhanced Actinide Removal Plant are investigated computationally using scalar and spin–orbit relativistic hybrid density functional theory.

Graphical abstract: Computational study of the interactions of tetravalent actinides (An = Th–Pu) with the α-Fe13 Keggin cluster
Open Access Paper

A combined experimental and modelling approach for the evaluation of the thermoelectric properties of Ag-doped SnS

We report for the first time a combined computational and experimental study of the impact of Ag doping on the thermoelectric properties of SnS and introduce a fitting procedure to determine parameters that cannot easily be determined experimentally.

Graphical abstract: A combined experimental and modelling approach for the evaluation of the thermoelectric properties of Ag-doped SnS
Open Access Paper

Swelling-induced patterning in soft microchannels

We study the effect of inflation on the swelling-induced wrinkling of thin elastic membranes in a set-up that is commonly used to create microchannels in lab-on-chip applications.

Graphical abstract: Swelling-induced patterning in soft microchannels
Open Access Paper

In situ (bio)remediation treatment options for U and Sr contaminated land: a comparison of radionuclide retention and remobilisation

This is the first comprehensive study to compare the long term stability of U and Sr (bio)remediation end-points following oxidative remobilisation (via oxygen/nitrate) yielding insights into retention capabilities and removal mechanisms.

Graphical abstract: In situ (bio)remediation treatment options for U and Sr contaminated land: a comparison of radionuclide retention and remobilisation
Open Access Paper

Anaerobic biodegradation of citric acid in the presence of Ni and U at alkaline pH; impact on metal fate and speciation

Biodegradation of citrate occurred under LLW repository relevant conditions with Ni and U present. Citrate biodegradation led to the formation of insoluble Ni sulfides or nanocrystalline U(IV)–phosphate and may promote Ni/U retention in LLW repositories.

Graphical abstract: Anaerobic biodegradation of citric acid in the presence of Ni and U at alkaline pH; impact on metal fate and speciation
Open Access Paper

Control of the structure and morphology of polypeptide/surfactant spread films by exploiting specific interactions

Control of the morphology and structure of polypeptide/surfactant films.

Graphical abstract: Control of the structure and morphology of polypeptide/surfactant spread films by exploiting specific interactions
Open Access Paper

Characterisation of magnetic relaxation on extremely long timescales

Magnetisation decay measurements are commonly being used to characterise very slow relaxation in single-molecule magnets. We explore measurement protocol and data analysis to define the best practise.

Graphical abstract: Characterisation of magnetic relaxation on extremely long timescales
Open Access Paper

Comparison of group 4 and thorium M(IV) substituted cyclopentadienyl silanide complexes

The metal-silicon bonds of a series of structurally similar zirconium(IV), hafnium(IV) and thorium(IV) substituted cyclopentadienyl hypersilanide complexes are compared with each other.

Graphical abstract: Comparison of group 4 and thorium M(iv) substituted cyclopentadienyl silanide complexes
Open Access Paper

Defect-free graphene enhances enzyme delivery to fibroblasts derived from patients with lysosomal storage disorders

Biocompatible cationic graphene flakes efficiently complex and deliver the enzyme to the lysosomes of the fibroblasts derived from the patients with Mucopolysaccharidosis VI, leading to enhanced degradation of the accumulated lysosomal substrate.

Graphical abstract: Defect-free graphene enhances enzyme delivery to fibroblasts derived from patients with lysosomal storage disorders
Open Access Paper

Understanding and optimising the transfection of lipopolyplexes formulated in saline: the effects of peptide and serum

Lipopolyplexes formulated from branched cationic peptides with cell receptor targeting sequences, DOTMA and DOPE, and plasmid DNA in the presence of saline form multilamellar nanoparticles with enhanced stability and transfection in serum.

Graphical abstract: Understanding and optimising the transfection of lipopolyplexes formulated in saline: the effects of peptide and serum
Open Access Paper

Mechanical stability of cis, trans-poly(p-phenylene vinylenes)

The performance of flexible electronic devices must be stable to repeated mechanical deformation in use. We show that the structural and optical properties of cis, trans-PPVs are maintained when subjected to elongational forces during ultrasonication.

Graphical abstract: Mechanical stability of cis, trans-poly(p-phenylene vinylenes)
Open Access Paper

Control of evolution of porous copper-based metal–organic materials for electroreduction of CO2 to multi-carbon products

Formation of multi-carbon (C2+) products by electrochemical reduction of CO2 using two porous Cu(II)-based materials (HKUST-1 and CuMOP, MOP = metal–organic polyhedra) under electrochemical conditions in the presence of TNCQ.

Graphical abstract: Control of evolution of porous copper-based metal–organic materials for electroreduction of CO2 to multi-carbon products
Open Access Paper

A new strategy for improving cytotoxicity of a copper complex toward metastatic melanoma cells unveiled by EPR spectroscopy

An oxindolimine-copper(II) complex with antitumor properties was immobilized in a silica matrix, and verified to be more active and selective due the formation of a dinuclear species, unveiled by continuous wave and pulsed EPR spectroscopy.

Graphical abstract: A new strategy for improving cytotoxicity of a copper complex toward metastatic melanoma cells unveiled by EPR spectroscopy
Open Access Paper

Water-based 2-dimensional anatase TiO2 inks for printed diodes and transistors

TiO2 nanosheets are produced with a mass scalable and F-free bottom-up approach. The material is formulated into a stable water-based ink and exploited in printed diodes and transistors, showing very good dielectric properties.

Graphical abstract: Water-based 2-dimensional anatase TiO2 inks for printed diodes and transistors
Open Access Paper

Improving the sustainability of the ruthenium-catalysed N-directed C–H arylation of arenes with aryl halides

A ruthenium-catalysed C–H arylation procedure that utilises a range of green solvents in place of the undesirable solvent NMP is presented. Examples of fast reaction time, low catalyst loading and large-scale reactivity are also shown.

Graphical abstract: Improving the sustainability of the ruthenium-catalysed N-directed C–H arylation of arenes with aryl halides
Open Access Paper

Unlimited recyclable wearable sensors based on a homogeneous ionic liquid and polyvinyl alcohol network

Smart wearable electronics are now of great significance in the fields of biomedical applications and environmental sensors.

Graphical abstract: Unlimited recyclable wearable sensors based on a homogeneous ionic liquid and polyvinyl alcohol network
Open Access Paper

Synthesis and characterisation of Ga- and In-doped CdS by solventless thermolysis of single source precursors

A low temperature and facile molecular precursor route towards phase-pure Ga- and In-doped CdS is reported. Photoluminescence spectroscopy showed that charge carrier recombination was reduced by doping the material, increasing exciton lifetime.

Graphical abstract: Synthesis and characterisation of Ga- and In-doped CdS by solventless thermolysis of single source precursors
Open Access Paper

Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes

Isocyanates and carbon dioxide capture between the tetrel-pnictogen bonds of functionalized [P7] cages is investigated by NMR and IR spectroscopy, signal crystal X-ray diffraction, and density functional theory.

Graphical abstract: Reactivity of tetrel functionalized heptapnictogen clusters towards heteroallenes
Open Access Paper

Re-entrant relaxor ferroelectric behaviour in Nb-doped BiFeO3–BaTiO3 ceramics

Re-entrant relaxor ferroelectric behaviour is identified in BiFeO3–BaTiO3 ceramics, yielding anomalous thermal variations in structural distortion and functional properties.

Graphical abstract: Re-entrant relaxor ferroelectric behaviour in Nb-doped BiFeO3–BaTiO3 ceramics
Open Access Paper

Volatile metabolites differentiate air–liquid interface cultures after infection with Staphylococcus aureus

Thin film microextraction to sample VOCs from the apical side of an air–liquid interface culture model. After S. aureus infection, infected and uninfected cultures were distinguished using an untargeted metabolomics approach.

Graphical abstract: Volatile metabolites differentiate air–liquid interface cultures after infection with Staphylococcus aureus
Open Access Paper

Evolution of bismuth-based metal–organic frameworks for efficient electroreduction of CO2

The impact of porosity of MOFs on their structural evolution during reaction with electrolyte and their use as pre-catalysts for electrochemical reduction of CO2 provide new insights into the design of new MOFs-derived catalysts.

Graphical abstract: Evolution of bismuth-based metal–organic frameworks for efficient electroreduction of CO2
Open Access Paper

Nanocubes of Mo6S8 Chevrel phase as active electrode material for aqueous lithium-ion batteries

Elgendy et al., investigate the performance of nanostructured Chevrel Phase Mo6S8 electrodes as an anode material for aqueous lithium ion batteries.

Graphical abstract: Nanocubes of Mo6S8 Chevrel phase as active electrode material for aqueous lithium-ion batteries
Paper

Importance of small loops within PIM-1 topology on gas separation selectivity in thin film composite membranes

Studies of blends of topologically distinct samples of the polymer of intrinsic microporosity PIM-1 provide, for the CO2/N2 gas pair, insight into the optimum loop topology required for high selectivity and permeance of thin film composite (TFC) membranes.

Graphical abstract: Importance of small loops within PIM-1 topology on gas separation selectivity in thin film composite membranes
Open Access Paper

Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H + HD → H2 + D reaction

The Corona Diffraction Pattern (CDP) and the Glory Diffraction Pattern (GDP).

Graphical abstract: Glories, hidden rainbows and nearside–farside interference effects in the angular scattering of the state-to-state H + HD → H2 + D reaction
Paper

Quantum chemical topology and natural bond orbital analysis of M–O covalency in M(OC6H5)4 (M = Ti, Zr, Hf, Ce, Th, Pa, U, Np)

V XC(M,O): the exchange–correlation metric quantifies covalency between M and O atomic basins in M(OC6H5)4 (M = Ti, Zr, Hf, Ce, Th, Pa, U, Np).

Graphical abstract: Quantum chemical topology and natural bond orbital analysis of M–O covalency in M(OC6H5)4 (M = Ti, Zr, Hf, Ce, Th, Pa, U, Np)
73 items - Showing page 1 of 2

About this collection

Tracing its history back to the Royal School of Medicine and Surgery and the Manchester Mechanics’ Institution, both formed in 1824, the University of Manchester will be celebrating its 200th anniversary in 2024.

To mark this important occasion, we've brought together a celebratory cross-RSC collection highlighting cutting-edge research from faculty at the University of Manchester.

We hope you enjoy reading these articles and will join us in celebrating this special occasion!

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