cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2420062-1
title: Na-ion diffusion in the layered oxide Na2Zn2TeO6

description: The future of solid-state battery technology relies on solid electrolytes. The main key factors are its thermodynamical stability, conductivity, cost, and abundance. So far lithium-ion batteries are the main workhorse; however, their limited availability and high cost are the bottlenecks for many high energies and high power applications such as electric vehicles. Sodium-ion batteries are considered to be the best alternative energy storage technologies. 
The compound Na2Zn2TeO6 (NZTO) crystallises in the pure P2-type phase (P6322) at a synthesis temperature of 1173 K. The pure P2-phase layered structure of NZTO compounds shows fast Na+ conductivity (σ = ⁓ 4×10-4 S/cm) and low activation energy (⁓ 0.29 eV) at room temperature. We propose to perform the quasielastic neutron scattering (QENS) in the P2-phase of NZTO to explore Na ion's single ion and collective dynamics. We have measured the phonon density of states at MARI for measurements and observed large phonon softening of low energy modes in NZTO above 500 K. At elevated temperatures, the large population of such low energy anharmonic modes may onset the Na diffusion. We anticipate the evolution of QENS signal at above 500 K, which validates that the role of strongly anharmonic modes on fast Na diffusion. Hence the proposed QENS measurements would be useful to understand the fast Na diffusion in NZTO and correlation with low-E soft anharmonic vibrational modes.
DOI: 10.5286/isis.e.rb2420062
title: Na-ion diffusion in the layered oxide Na2Zn2TeO6

description: The future of solid-state battery technology relies on solid electrolytes. The main key factors are its thermodynamical stability, conductivity, cost, and abundance. So far lithium-ion batteries are the main workhorse; however, their limited availability and high cost are the bottlenecks for many high energies and high power applications such as electric vehicles. Sodium-ion batteries are considered to be the best alternative energy storage technologies. 
The compound Na2Zn2TeO6 (NZTO) crystallises in the pure P2-type phase (P6322) at a synthesis temperature of 1173 K. The pure P2-phase layered structure of NZTO compounds shows fast Na+ conductivity (σ = ⁓ 4×10-4 S/cm) and low activation energy (⁓ 0.29 eV) at room temperature. We propose to perform the quasielastic neutron scattering (QENS) in the P2-phase of NZTO to explore Na ion's single ion and collective dynamics. We have measured the phonon density of states at MARI for measurements and observed large phonon softening of low energy modes in NZTO above 500 K. At elevated temperatures, the large population of such low energy anharmonic modes may onset the Na diffusion. We anticipate the evolution of QENS signal at above 500 K, which validates that the role of strongly anharmonic modes on fast Na diffusion. Hence the proposed QENS measurements would be useful to understand the fast Na diffusion in NZTO and correlation with low-E soft anharmonic vibrational modes.
DOI: 10.5286/isis.e.rb2520567-1
title: Phenol Absorption on functionalized Fe-C nanocomposites for water cleaning

description: Functional Fe-C core-shell nanostructured platforms have been designed for adsorption of phenol in contaminated water. The synthesized magnetic nanocomposites are inserted in an aqueous solution containing phenol. The phenol content of the contaminated water has been checked as a function of time and a complete removal is observed in the first cycle. Nevertheless, the efficiency reduces in the subsequent cycles. The actual proposal pretend to determine the vibrational spectra of the platform in different cycling states in order to detect phenol moleculeplatform chemical interactions and try to correlate the surface interactions with the loss of recyclability. In contrast to the preliminary FTIR analysis, Inelastic Neutron Scattering (INS) is not subject to any optical selection rules and all vibrations are measurable. Besides INS is mainly sensitive to vibrations involving hydrogen atoms and their vibrational dynamic, can be theoretically predicted. Therefore, the aim of this proposal is to shed some light on the phenol absorption process. Seven different samples will be measured at TOSCA, at base temperature of 10K; two days of beamtime are requested.
DOI: 10.15468/dl.py4ypp
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Suncus aequatorius",
 "HasCoordinate is TRUE"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0037559-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5286/isis.e.rb2520567
title: Phenol Absorption on functionalized Fe-C nanocomposites for water cleaning

description: Functional Fe-C core-shell nanostructured platforms have been designed for adsorption of phenol in contaminated water. The synthesized magnetic nanocomposites are inserted in an aqueous solution containing phenol. The phenol content of the contaminated water has been checked as a function of time and a complete removal is observed in the first cycle. Nevertheless, the efficiency reduces in the subsequent cycles. The actual proposal pretend to determine the vibrational spectra of the platform in different cycling states in order to detect phenol moleculeplatform chemical interactions and try to correlate the surface interactions with the loss of recyclability. In contrast to the preliminary FTIR analysis, Inelastic Neutron Scattering (INS) is not subject to any optical selection rules and all vibrations are measurable. Besides INS is mainly sensitive to vibrations involving hydrogen atoms and their vibrational dynamic, can be theoretically predicted. Therefore, the aim of this proposal is to shed some light on the phenol absorption process. Seven different samples will be measured at TOSCA, at base temperature of 10K; two days of beamtime are requested.
DOI: 10.17632/9r4rcv6skv
title: Metallo-beta-lactamase α-helix Fragment Modified Peptide N10 is a Multifunctional Antimicrobial Peptide

description: The original date of Metallo-beta-lactamase α-helix Fragment Modified Peptide N10 is a Multifunctional Antimicrobial Peptide
DOI: 10.5286/isis.e.rb2520045-1
title: Field-induced incommensurate Magnetic Structures of the Triangular-lattice Antiferromagnet (CD3ND3)2NaRuCl6

description: The prospect of merging the common paradigms of geometric frustration on a triangular lattice and bond anisotropies in the strong spin-orbit coupling limit holds tremendous promise in the ongoing hunt for exotic quantum materials. The recently discovered organic quantum antiferromagnet (CD3ND3)2NaRuCl6 poses a rare candidate system to realize such physics, displaying a triangular arrangement of Ru3+ ions adopting the spin-orbital entangled j = ½ state. Thermodynamics and preliminary neutron diffraction data suggest a highly frustrated ground state with residual magnetic order below 0.22 K and a complex phase diagram in applied fields, including three incommensurate phases. We propose to investigate the temperature-dependence and refine the magnetic structures in the IC states of (CD3ND3)2NaRuCl6 realized in axial fields by means of single-crystal neutron diffraction. With its large area detectors capable of tracking moving incommensurabilities and the low-temperature capabilities optimized for magnetic diffraction on single crystals, the ToF-Laue instrument WISH will be indispensible for this purpose.
DOI: 10.17632/9r4rcv6skv.1
title: Metallo-beta-lactamase α-helix Fragment Modified Peptide N10 is a Multifunctional Antimicrobial Peptide

description: The original date of Metallo-beta-lactamase α-helix Fragment Modified Peptide N10 is a Multifunctional Antimicrobial Peptide
DOI: 10.5286/isis.e.rb2520045
title: Field-induced incommensurate Magnetic Structures of the Triangular-lattice Antiferromagnet (CD3ND3)2NaRuCl6

description: The prospect of merging the common paradigms of geometric frustration on a triangular lattice and bond anisotropies in the strong spin-orbit coupling limit holds tremendous promise in the ongoing hunt for exotic quantum materials. The recently discovered organic quantum antiferromagnet (CD3ND3)2NaRuCl6 poses a rare candidate system to realize such physics, displaying a triangular arrangement of Ru3+ ions adopting the spin-orbital entangled j = ½ state. Thermodynamics and preliminary neutron diffraction data suggest a highly frustrated ground state with residual magnetic order below 0.22 K and a complex phase diagram in applied fields, including three incommensurate phases. We propose to investigate the temperature-dependence and refine the magnetic structures in the IC states of (CD3ND3)2NaRuCl6 realized in axial fields by means of single-crystal neutron diffraction. With its large area detectors capable of tracking moving incommensurabilities and the low-temperature capabilities optimized for magnetic diffraction on single crystals, the ToF-Laue instrument WISH will be indispensible for this purpose.
DOI: 10.5286/isis.e.rb2520046-1
title: Liquid-state Association of Simple Biomolecules Under Titan Mimetic Conditions

description: We propose to study the association of the amino acid glycine in aqueous ammonia as a model system for biomolecular assembly in Titan mimetic environments. Building on our previous work on astronomically relevant mimetic aqueous solutions, the ammonia concentration will be fixed at a water : ammonia molar ratio of 3.665 : 1, and the glycine concentration will be fixed at a water : glycine ratio of 30 : 1, and the solutions will be explored at two temperatures. Through neutron diffraction and structural refinement we will determine (1) the clustering of glycine through hydrogen bonding between its hydrogen bond donating amine and hydrogen bond accepting carboxyl groups, (2) the perturbations to hydrophobic clustering of glycine through its side chain hydrogens, (3) hydrogen bond interactions between glycine and ammonia, and (4) perturbations to the bulk water structure by the combined influence of glycine and ammonia. This will support the group's research in exploring the physics of life in extreme environments, the Walsh group at Leeds and their interest in exploring habitable worlds, the continued developed of Dr Harry Laurent and the training and development of new ISIS facility development student Issy Sutton who begins in October 2025.
DOI: 10.17632/kwhvs3srhd
title: Unprocessed microscope images for "Ancient soft tissue-like structures resembling collagen protein fibers are nanocrystalline mineral artifacts"

description: Raw, unprocessed microscope images for the manuscript: "Ancient soft tissue-like structures resembling collagen protein fibers are nanocrystalline mineral artifacts".
DOI: 10.5286/isis.e.rb2520046
title: Liquid-state Association of Simple Biomolecules Under Titan Mimetic Conditions

description: We propose to study the association of the amino acid glycine in aqueous ammonia as a model system for biomolecular assembly in Titan mimetic environments. Building on our previous work on astronomically relevant mimetic aqueous solutions, the ammonia concentration will be fixed at a water : ammonia molar ratio of 3.665 : 1, and the glycine concentration will be fixed at a water : glycine ratio of 30 : 1, and the solutions will be explored at two temperatures. Through neutron diffraction and structural refinement we will determine (1) the clustering of glycine through hydrogen bonding between its hydrogen bond donating amine and hydrogen bond accepting carboxyl groups, (2) the perturbations to hydrophobic clustering of glycine through its side chain hydrogens, (3) hydrogen bond interactions between glycine and ammonia, and (4) perturbations to the bulk water structure by the combined influence of glycine and ammonia. This will support the group's research in exploring the physics of life in extreme environments, the Walsh group at Leeds and their interest in exploring habitable worlds, the continued developed of Dr Harry Laurent and the training and development of new ISIS facility development student Issy Sutton who begins in October 2025.
DOI: 10.17632/kwhvs3srhd.1
title: Unprocessed microscope images for "Ancient soft tissue-like structures resembling collagen protein fibers are nanocrystalline mineral artifacts"

description: Raw, unprocessed microscope images for the manuscript: "Ancient soft tissue-like structures resembling collagen protein fibers are nanocrystalline mineral artifacts".
DOI: 10.5286/isis.e.rb2520067-1
title: Neutron Reflectometry investigation of organo-rhodium complexes in model membranes.

description: Half-sandwich penta- and tetra-methylcyclopentadienyl (Cp*, CpxPh, CpxPhPh) Rh(III) complexes [(η5-Cp*)Rh(N,N’)Cl]+ (N,N = (4-R2-phenyl-azopyridine-5-R1)Cl]PF6, R2 = CF3/Br/H R1 = OH/NMe2 ) show potent anticancer activity against tumour cells, including, lung cancer. Our previous work using 3D cryo-imaging suggested the accumulation of these compounds in lipid membranes, which would be a novel activity pathway. DFT calculations support this finding revealing the complexes interacts with the lipid tails. We propose to use Neutron Reflectometry to study the interaction of these complexes with model membranes to experimentally and structurally resolve the interaction of these novel anti-cancer compounds with cellular membranes. From NR studies we expect to resolve the position of the complex relative to the model membrane and the mechanism of interaction. Additionally we will resolve changes in the membrane lipid distribution to elucidate any membrane perturbing effects of these compounds. This will provide valuable information on the activity of these novel drugs.
DOI: 10.17632/h7gyrk5c3c
title: Emotional Intelligence and Leadership Effectiveness Among Healthcare Professionals: A Cross-Sectional Study

description: Background: Emotional intelligence (EI) is increasingly recognized as a critical competency for effective healthcare leadership. However, empirical evidence examining this relationship in the Indian healthcare context remains limited.
Objective: This study investigates the impact of EI on leadership effectiveness among healthcare leaders in India, aiming to identify whether higher EI is associated with better leadership outcomes.
Methods: A cross-sectional, quantitative survey was conducted among 120 healthcare leaders across India between February and November 2025. Participants completed a structured online questionnaire comprising 10 and 15 items assessing EI and leadership effectiveness, respectively. Descriptive statistics, Pearson’s correlation, and analysis of variance were used to analyse the data.
Results: A strong positive correlation was observed between EI and leadership effectiveness (r = 0.893, P &lt;0.001), indicating that higher EI scores are associated with greater leadership effectiveness. Analysis of variance confirmed significant differences in leadership effectiveness across EI (F = 13.13, P &lt;0.001). Key EI dimensions associated with leadership effectiveness included self-awareness, empathy, self-regulation, motivation, and social skills.
Conclusion: The findings underscore the importance of EI as a significant predictor of leadership effectiveness in healthcare. Integrating EI training into leadership development programs may enhance team communication, conflict resolution, staff well-being, and patient care outcomes.
DOI: 10.5286/isis.e.rb2520067
title: Neutron Reflectometry investigation of organo-rhodium complexes in model membranes.

description: Half-sandwich penta- and tetra-methylcyclopentadienyl (Cp*, CpxPh, CpxPhPh) Rh(III) complexes [(η5-Cp*)Rh(N,N’)Cl]+ (N,N = (4-R2-phenyl-azopyridine-5-R1)Cl]PF6, R2 = CF3/Br/H R1 = OH/NMe2 ) show potent anticancer activity against tumour cells, including, lung cancer. Our previous work using 3D cryo-imaging suggested the accumulation of these compounds in lipid membranes, which would be a novel activity pathway. DFT calculations support this finding revealing the complexes interacts with the lipid tails. We propose to use Neutron Reflectometry to study the interaction of these complexes with model membranes to experimentally and structurally resolve the interaction of these novel anti-cancer compounds with cellular membranes. From NR studies we expect to resolve the position of the complex relative to the model membrane and the mechanism of interaction. Additionally we will resolve changes in the membrane lipid distribution to elucidate any membrane perturbing effects of these compounds. This will provide valuable information on the activity of these novel drugs.
DOI: 10.17632/h7gyrk5c3c.1
title: Emotional Intelligence and Leadership Effectiveness Among Healthcare Professionals: A Cross-Sectional Study

description: Background: Emotional intelligence (EI) is increasingly recognized as a critical competency for effective healthcare leadership. However, empirical evidence examining this relationship in the Indian healthcare context remains limited.
Objective: This study investigates the impact of EI on leadership effectiveness among healthcare leaders in India, aiming to identify whether higher EI is associated with better leadership outcomes.
Methods: A cross-sectional, quantitative survey was conducted among 120 healthcare leaders across India between February and November 2025. Participants completed a structured online questionnaire comprising 10 and 15 items assessing EI and leadership effectiveness, respectively. Descriptive statistics, Pearson’s correlation, and analysis of variance were used to analyse the data.
Results: A strong positive correlation was observed between EI and leadership effectiveness (r = 0.893, P &lt;0.001), indicating that higher EI scores are associated with greater leadership effectiveness. Analysis of variance confirmed significant differences in leadership effectiveness across EI (F = 13.13, P &lt;0.001). Key EI dimensions associated with leadership effectiveness included self-awareness, empathy, self-regulation, motivation, and social skills.
Conclusion: The findings underscore the importance of EI as a significant predictor of leadership effectiveness in healthcare. Integrating EI training into leadership development programs may enhance team communication, conflict resolution, staff well-being, and patient care outcomes.
DOI: 10.5286/isis.e.rb2520343-1
title: Studying the redistribution of lipids in clinically relevant lipid nanoparticles as a consequence of formulation protocols

description: Lipid nanoparticles (also known as LNPs) are revolutionizing genetic medicine. However, a significant bottleneck in the LNP field is a limited understanding of how LNP structure impacts performance. This is because most studies of structure – function relationships in LNPs, focus on LNPs with different lipid compositions. We have formulated clinical LNP formulations (Pfizer lipid composition) loaded with mRNA using different formulation buffers to generate different LNP structures with identical lipid compositions. A likely consequence of these differences in structure, is the redistribution of the lipid components in the LNPs. Our key question is to quantify how LNP formulation conditions can be used to control the overall LNP structure and how this impacts the distribution of lipids between the LNP shell and core. Contrast matching SANS will be used to quantify how DSPC and cholesterol redistribute between the LNP shell and core as a function of LNP size and formulation buffer in systems with identical lipid compositions. 
This information will be linked to in vitro cell performance data to enable us to decouple the impact of lipid distribution in an LNP and LNP internal structure on LNP performance. Longer term this information (i.e. the location of the different lipids in the LNP) will also be used to develop starting structures for coarse grain and atomistic models of LNPs to study structure and dynamics in simulations.
DOI: 10.5286/isis.e.rb2520343
title: Studying the redistribution of lipids in clinically relevant lipid nanoparticles as a consequence of formulation protocols

description: Lipid nanoparticles (also known as LNPs) are revolutionizing genetic medicine. However, a significant bottleneck in the LNP field is a limited understanding of how LNP structure impacts performance. This is because most studies of structure – function relationships in LNPs, focus on LNPs with different lipid compositions. We have formulated clinical LNP formulations (Pfizer lipid composition) loaded with mRNA using different formulation buffers to generate different LNP structures with identical lipid compositions. A likely consequence of these differences in structure, is the redistribution of the lipid components in the LNPs. Our key question is to quantify how LNP formulation conditions can be used to control the overall LNP structure and how this impacts the distribution of lipids between the LNP shell and core. Contrast matching SANS will be used to quantify how DSPC and cholesterol redistribute between the LNP shell and core as a function of LNP size and formulation buffer in systems with identical lipid compositions. 
This information will be linked to in vitro cell performance data to enable us to decouple the impact of lipid distribution in an LNP and LNP internal structure on LNP performance. Longer term this information (i.e. the location of the different lipids in the LNP) will also be used to develop starting structures for coarse grain and atomistic models of LNPs to study structure and dynamics in simulations.
DOI: 10.5286/isis.e.rb2510568-1
title: The quest for the hydrogen-disordered counterpart of ice II

description: Water displays a highly complex phase diagram that is key to a range of critical processes, from the evolution of icy moons to that of the Earth's hydrosphere and even of life itself. Using ISIS facilities, our group has made tremendous progress exploring the phase diagram of ice. For example, we discovered three phases of ice labelled ices XIII, XIV and XV which are the hydrogen-ordered counterparts of ices V, XII and VI. This proposal focusses on ice II which is special in the sense that it is the only phase of ice for which the hydrogen-disordered counterpart has not been discovered yet. Using helium gas as a trick to stabilise ice II we now aim to finally prepare the so far illusive hydrogen-disordered counterpart of ice II and to solve one of the last remaining mysteries in the phase diagram of water. Applying pressure helps in the sense that the material can be heated to higher temperatures which makes the disordering more likely. We previously showed using gas-pressure cells that heating at 0.75 GPa does not lead to any disordering. To push the pressure range further, we now propose to use the Paris-Edinburgh cell which will drastically extend our pressure window. In addition to finding disordered ice II, we will also explore, for the first time, the upper pressure limit of He@ice II and we will find out to which as yet unknown high-pressure phase it will transform.
DOI: 10.5281/zenodo.17855762
title: THE NEW CONSTITUTION IS THE BASIS OF THE DEVELOPMENT OF SOCIETY