Chemical sciences

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Single and multi-objective shutdown optimization of a multistage continuous crystallizer

Single and multi-objective shutdown optimization of a multistage continuous crystallizer

journal contribution posted on 2025-03-26

Structure‐property relationships for potential inversion from electron acceptors based on thiophene‐fused triptycene quinones, 1,4‐diketones and their malononitrile adducts

Structure‐property relationships for potential inversion from electron acceptors based on thiophene‐fused triptycene quinones, 1,4‐diketones and their malononitrile adducts

journal contribution posted on 2025-03-26

Stimulated C2C12 myotube headspace volatile organic compound analysis

Stimulated C2C12 myotube headspace volatile organic compound analysis

journal contribution posted on 2025-03-17

Supplementary information files for "Fluorinated <i>N</i>-Heterocyclic Carbene Silver(I) Complexes with High Cancer Cell Selectivity"

Supplementary information files for "Fluorinated N-Heterocyclic Carbene Silver(I) Complexes with High Cancer Cell Selectivity"

dataset posted on 2025-03-17

Fluorinated <i>N</i>-Heterocyclic Carbene Silver(I) Complexes with High Cancer Cell Selectivity

Fluorinated N-Heterocyclic Carbene Silver(I) Complexes with High Cancer Cell Selectivity

journal contribution posted on 2025-03-17

Asymmetric organocatalytic synthesis of chiral homoallylic amines

Asymmetric organocatalytic synthesis of chiral homoallylic amines

journal contribution posted on 2025-03-14

Polymersome-encapsulated chemosensors: New design strategies toward biofluid-pplicable cucurbit[7]uril indicator displacement assays

Polymersome-encapsulated chemosensors: New design strategies toward biofluid-pplicable cucurbit[7]uril indicator displacement assays

journal contribution posted on 2025-03-14

Supplementary information for files for "Effect of an acute session of intermittent exercise on trimethylamine N-oxide (TMAO) production following choline ingestion"

Supplementary information for files for "Effect of an acute session of intermittent exercise on trimethylamine N-oxide (TMAO) production following choline ingestion"

dataset posted on 2025-03-13

Effect of an acute session of intermittent exercise on trimethylamine N-oxide (TMAO) production following choline ingestion

Effect of an acute session of intermittent exercise on trimethylamine N-oxide (TMAO) production following choline ingestion

journal contribution posted on 2025-03-13

Tracing the cross‐talk phenomenon of Vinylethylene Carbonate to unveil its counterintuitive influence as an electrolyte additive on high‐voltage lithium‐Ion batteries

Tracing the cross‐talk phenomenon of Vinylethylene Carbonate to unveil its counterintuitive influence as an electrolyte additive on high‐voltage lithium‐Ion batteries

journal contribution posted on 2025-03-11

Direct monitoring of the potassium charge carrier in Prussian blue cathodes using potassium K-edge X-ray absorption spectroscopy

Direct monitoring of the potassium charge carrier in Prussian blue cathodes using potassium K-edge X-ray absorption spectroscopy

journal contribution posted on 2025-03-11

Ecodesign of kesterite nanoparticles for thin film photovoltaics at laboratory scale

Ecodesign of kesterite nanoparticles for thin film photovoltaics at laboratory scale

journal contribution posted on 2025-03-11

$Crack initiation in compacted graphite iron with random microstructure: Effect of volume fraction and distribution of particles$

Crack initiation in compacted graphite iron with random microstructure: Effect of volume fraction and distribution of particles

journal contribution posted on 2025-03-11

Performance of the FreeStyle Libre Flash glucose monitoring system during an oral glucose tolerance test and exercise in healthy adolescents

Performance of the FreeStyle Libre Flash glucose monitoring system during an oral glucose tolerance test and exercise in healthy adolescents

journal contribution posted on 2025-03-11

Experimental and computational study of Zn doping in Li5+xLa3Nb2−xZrxO12 garnet solid state electrolytes

Experimental and computational study of Zn doping in Li5+xLa3Nb2−xZrxO12 garnet solid state electrolytes

journal contribution posted on 2025-03-11

Understanding associative polymer self-assembly with shrinking gate fluorescence correlation spectroscopy

Understanding associative polymer self-assembly with shrinking gate fluorescence correlation spectroscopy

journal contribution posted on 2025-03-11

A multi-stable rotational energy harvester for arbitrary bi-directional horizontal excitation at ultra-low frequencies for self-powered sensing

A multi-stable rotational energy harvester for arbitrary bi-directional horizontal excitation at ultra-low frequencies for self-powered sensing

journal contribution posted on 2025-03-11

Process intensification of the continuous synthesis of bio-derived monomers for sustainable coatings using a Taylor vortex flow reactor

Process intensification of the continuous synthesis of bio-derived monomers for sustainable coatings using a Taylor vortex flow reactor

journal contribution posted on 2025-03-11

Thermal buckling transition in graphene: Static and dynamical critical exponents

Thermal buckling transition in graphene: Static and dynamical critical exponents

journal contribution posted on 2025-03-10

FILES UNDER EMBARGO

D3-ImgNet: a framework for molecular properties prediction based on data-driven electron density images

journal contribution posted on 2025-03-10

Supplementary information files for "Understanding associative polymer self-assembly with shrinking gate fluorescence correlation spectroscopy"

Supplementary information files for "Understanding associative polymer self-assembly with shrinking gate fluorescence correlation spectroscopy"

dataset posted on 2025-03-03

Microfluidic fabrication and applications of microgels and hybrid microgels

Microfluidic fabrication and applications of microgels and hybrid microgels

journal contribution posted on 2025-03-03

Supplementary information files for "Experimental and computational study of Zn doping in Li5+xLa3Nb2−xZrxO12 garnet solid state electrolytes"

Supplementary information files for "Experimental and computational study of Zn doping in Li5+xLa3Nb2−xZrxO12 garnet solid state electrolytes"

dataset posted on 2025-03-03

Supplementary information files for "Classification and quantitative characterisation of the excited states of π-conjugated diradicals"

Supplementary information files for "Classification and quantitative characterisation of the excited states of π-conjugated diradicals"

dataset posted on 2025-03-03

Classification and quantitative characterisation of the excited states of π-conjugated diradicals

Classification and quantitative characterisation of the excited states of π-conjugated diradicals

journal contribution posted on 2025-03-03

Singlet fission in pechmann dyes: Planar chromophore design and understanding

Singlet fission in pechmann dyes: Planar chromophore design and understanding

journal contribution posted on 2025-02-28

Determination of collisional cross section using microscale high-field asymmetric waveform ion mobility spectroscopy–mass spectrometry (FAIMS-MS)

Determination of collisional cross section using microscale high-field asymmetric waveform ion mobility spectroscopy–mass spectrometry (FAIMS-MS)

journal contribution posted on 2025-02-28

Correlating molecular precursor interactions with device performance in solution-processed Cu<sub>2</sub>ZnSn(S,Se)<sub>4</sub> Thin-Film Solar Cells

Correlating molecular precursor interactions with device performance in solution-processed Cu₂ZnSn(S,Se)₄ Thin-Film Solar Cells

journal contribution posted on 2025-02-27

FILES UNDER EMBARGO

Supplementary information files for "Collaborative reconstruction of FeOOH/FeNiCo-LDH heterogeneous nanosheets for enhancing anion exchange membrane seawater electrolysis"

dataset posted on 2025-02-27

FILES UNDER EMBARGO

Collaborative reconstruction of FeOOH/FeNiCo-LDH heterogeneous nanosheets for enhancing anion exchange membrane seawater electrolysis

journal contribution posted on 2025-02-27

Advancements in the in-situ growth of catalysts for water electrolysis: Substrate considerations, performance evaluations, and future perspectives

Advancements in the in-situ growth of catalysts for water electrolysis: Substrate considerations, performance evaluations, and future perspectives

journal contribution posted on 2025-02-24

Supplementary information files for "Tracing the cross‐talk phenomenon of Vinylethylene Carbonate to unveil its counterintuitive influence as an electrolyte additive on high‐voltage lithium‐Ion batteries"

Supplementary information files for "Tracing the cross‐talk phenomenon of Vinylethylene Carbonate to unveil its counterintuitive influence as an electrolyte additive on high‐voltage lithium‐Ion batteries"

dataset posted on 2025-02-21

Developing artefact removal algorithms to process data from a microwave imaging device for haemorrhagic stroke detection

Developing artefact removal algorithms to process data from a microwave imaging device for haemorrhagic stroke detection

journal contribution posted on 2025-02-20

Uncovering the effect of physical conditions and surface roughness on the maximum spreading factor of impinging droplets using a supervised artificial neural network model

Uncovering the effect of physical conditions and surface roughness on the maximum spreading factor of impinging droplets using a supervised artificial neural network model

journal contribution posted on 2025-02-20

Investigating How the Properties of Electrospun Poly(lactic acid) Fibres Loaded with the Essential Oil Limonene Evolve over Time under Different Storage Conditions

Investigating How the Properties of Electrospun Poly(lactic acid) Fibres Loaded with the Essential Oil Limonene Evolve over Time under Different Storage Conditions

journal contribution posted on 2025-02-19

Accessing functionalised Bicyclo[1.1.1]pentanes via underutilised and novel synthetic pathways for hydrogen gas odorants and broader chemical applications

Accessing functionalised Bicyclo[1.1.1]pentanes via underutilised and novel synthetic pathways for hydrogen gas odorants and broader chemical applications

thesis posted on 2025-02-17

The OpenMolcas <i>Web</i>: A community-driven approach to advancing computational chemistry

The OpenMolcas Web: A community-driven approach to advancing computational chemistry

journal contribution posted on 2025-02-13

A direct analysis method using sheath flow probe electrospray ionisation-mass spectrometry (sfPESI-MS) to detect drug residues from fingerprint forensic gel lifts

A direct analysis method using sheath flow probe electrospray ionisation-mass spectrometry (sfPESI-MS) to detect drug residues from fingerprint forensic gel lifts

journal contribution posted on 2025-02-11

Application of response surface-corrected finite element model and Bayesian neural networks to predict the dynamic response of forth road bridges under strong winds

Application of response surface-corrected finite element model and Bayesian neural networks to predict the dynamic response of forth road bridges under strong winds

journal contribution posted on 2025-02-11

Evaluation of the catalytic effect of metal additives on the performance of a combined battery and electrolyzer system

Evaluation of the catalytic effect of metal additives on the performance of a combined battery and electrolyzer system

journal contribution posted on 2025-02-11