cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2010458
title: Chemical penetration enhancement of extracted healthy and diseased skin lipid models

description: Atopic dermatitis (AD) is a multifactorial skin condition affecting up to 20% of children and 3% of adults, leading to a significant reduction in quality of life and substantial costs to the health care system. Pathologically, one of the major effects of AD is a change in the lipid composition of the intercellular lipid matrix of the stratum corneum (SC). In this experiment we aim to extend our understanding of the compositional effects on the structure of SC mimicking lipid multilayers. We will do this by simplifying the fatty acid and cholesterol components and using extracted ceramide fractions from pigskin. By studying the effect of propylene glycol, used extensively in skin formulations as penetration enhancer, we aim also to clarify its mechanism of action, and to pinpoint the SC compositional dependence of its action and of the structural integrity of the skin lipid barrier.
DOI: 10.5286/isis.e.rb2010458-1
title: Chemical penetration enhancement of extracted healthy and diseased skin lipid models

description: Atopic dermatitis (AD) is a multifactorial skin condition affecting up to 20% of children and 3% of adults, leading to a significant reduction in quality of life and substantial costs to the health care system. Pathologically, one of the major effects of AD is a change in the lipid composition of the intercellular lipid matrix of the stratum corneum (SC). In this experiment we aim to extend our understanding of the compositional effects on the structure of SC mimicking lipid multilayers. We will do this by simplifying the fatty acid and cholesterol components and using extracted ceramide fractions from pigskin. By studying the effect of propylene glycol, used extensively in skin formulations as penetration enhancer, we aim also to clarify its mechanism of action, and to pinpoint the SC compositional dependence of its action and of the structural integrity of the skin lipid barrier.
DOI: 10.5286/isis.e.rb2010901
title: Role of Intermolecular Interaction in Conductive Polymer Wrapped MWCNT as Organophosphate Sensing Material Structure

description: Pesticides such as Organophosphate (OPs) have been extensively used across the agricultural and industrial sectors in Malaysia. The monitoring of OPs is vital to ensure that they are at acceptable levels and have negligible effects on the environment. Malathion is the most commonly used OPs with high toxicity. For this reason, it is interesting to developed effective material for the detection of OPs. Conducting polymer-based electrochemical sensors play an important role because its rapid detection and high sensitivity for environmental monitoring. Therefore, we are proposing a chemiresistive devices utililizing multiwalled carbon nanotubes (MWCNT) wrapped with polymer to enhance the effective gas sensor for detection of OPs. The main objective is to obtain new knowledge on the interaction mechanism between organophosphate gas and novel materials such as nanocarbon and polymer.
DOI: 10.17632/2v77dxmd67.1
title: Data for: Tumor localization accuracy for high-precision radiotherapy during active breath-hold

description: The data show additional 6 patients set at the threshold to 90% of maximum inhale breath-hold for comparison with the patients set the threshold to 75% of maximum inhalation.
DOI: 10.5286/isis.e.rb2010901-1
title: Role of Intermolecular Interaction in Conductive Polymer Wrapped MWCNT as Organophosphate Sensing Material Structure

description: Pesticides such as Organophosphate (OPs) have been extensively used across the agricultural and industrial sectors in Malaysia. The monitoring of OPs is vital to ensure that they are at acceptable levels and have negligible effects on the environment. Malathion is the most commonly used OPs with high toxicity. For this reason, it is interesting to developed effective material for the detection of OPs. Conducting polymer-based electrochemical sensors play an important role because its rapid detection and high sensitivity for environmental monitoring. Therefore, we are proposing a chemiresistive devices utililizing multiwalled carbon nanotubes (MWCNT) wrapped with polymer to enhance the effective gas sensor for detection of OPs. The main objective is to obtain new knowledge on the interaction mechanism between organophosphate gas and novel materials such as nanocarbon and polymer.
DOI: 10.5286/isis.e.rb2010901-2
title: Role of Intermolecular Interaction in Conductive Polymer Wrapped MWCNT as Organophosphate Sensing Material Structure

description: Pesticides such as Organophosphate (OPs) have been extensively used across the agricultural and industrial sectors in Malaysia. The monitoring of OPs is vital to ensure that they are at acceptable levels and have negligible effects on the environment. Malathion is the most commonly used OPs with high toxicity. For this reason, it is interesting to developed effective material for the detection of OPs. Conducting polymer-based electrochemical sensors play an important role because its rapid detection and high sensitivity for environmental monitoring. Therefore, we are proposing a chemiresistive devices utililizing multiwalled carbon nanotubes (MWCNT) wrapped with polymer to enhance the effective gas sensor for detection of OPs. The main objective is to obtain new knowledge on the interaction mechanism between organophosphate gas and novel materials such as nanocarbon and polymer.
DOI: 10.5286/isis.e.rb2000214
title: Inside bio-based furan polymers: Conformation and Dynamics in Crystalline and Amorphous Domains

description: Motivated by the general concern about sustainability and environmental issues, an intense search for renewable-based polymers has grown exponentially in recent years. This search definitely spotlighted polyesters derived from 2,5-furandicarboxylic acid as some of the most promising, owing to the possibility of preparing innovative materials. In previous works [1,2], a combination of vibrational spectroscopy (FTIR-ATR, Raman and Inelastic Neutron Scattering) and ab-initio calculations has been used to assess the structure of polymer chains at the molecular level. INS spectroscopy was found to be highly valuable, as is it allows the observation of relevant modes not clearly observable by optical spectroscopies. The aim of this project is to extend these studies to the 3,4-substituted furanoate (poly(ethylene 3,4-furanoate); 3,4-PEF) and to the poly(butylene) analogues (PBF).
DOI: 10.5286/isis.e.rb2000214-1
title: Inside bio-based furan polymers: Conformation and Dynamics in Crystalline and Amorphous Domains

description: Motivated by the general concern about sustainability and environmental issues, an intense search for renewable-based polymers has grown exponentially in recent years. This search definitely spotlighted polyesters derived from 2,5-furandicarboxylic acid as some of the most promising, owing to the possibility of preparing innovative materials. In previous works [1,2], a combination of vibrational spectroscopy (FTIR-ATR, Raman and Inelastic Neutron Scattering) and ab-initio calculations has been used to assess the structure of polymer chains at the molecular level. INS spectroscopy was found to be highly valuable, as is it allows the observation of relevant modes not clearly observable by optical spectroscopies. The aim of this project is to extend these studies to the 3,4-substituted furanoate (poly(ethylene 3,4-furanoate); 3,4-PEF) and to the poly(butylene) analogues (PBF).
DOI: 10.5286/isis.e.rb2010513-2
title: Drug distribution and structure of lipidic nanocapsules intended for drug delivery to the retina.

description: Several retinal disorders are lacking a valid treatment due to its complexity and non-accessibility. A novel class of drugs were developed that are effective against photoreceptor cell death and could therefore become a potential treatment for inherited retinal degeneration. Lipidic nanocapules (LNCs) are being evaluated for delivery of drug to the retinal tissue, but no detailed structural characterization of LNCs has been done. This project aims to give clear insight in elucidating the overall and internal structure of LNCs and the drug spreading in various layers of LNCs by means of small-angle neutron scattering (SANS). This information is significantly critical in order to understand the structure of LNCs, drug interaction with LNCs, and to better comprehend and modify the drug release mechanism and delivery. This will greatly improve the prospects for their clinical translation.
DOI: 10.5286/isis.e.rb2000230
title: Single-Event Effect (SEE) Characterization of the Xilinx UltraScale+ MPSoC and Reliability Analysis of FPGA-accelerated Large-Scale Systems

description: Future exascale systems will be more powerful but will fail much more frequently. Projections from current large-scale systems indicate that the Mean Time Between Failures (MTBF) is expected to be a few minutes. Thus, preserving MTBF at acceptable levels is a major concern for future systems. Radiation-induced effects are the major factor for the growth of transient errors on HPC systems. High-energy neutrons interact with the silicon die, creating a secondary cascade of charged particles. These can create current pulses that invert the values stored either in memories or produced by combinatorial logic. The proposed test strategy will attempt to study the vulnerability of the hardware technologies integrated on exascale systems. In particular, it will examine an FPGA device that is part of the H2020 EuroEXA’s project node and analyze the reliability of different HPC applications.
DOI: 10.5286/isis.e.rb2000230-1
title: Single-Event Effect (SEE) Characterization of the Xilinx UltraScale+ MPSoC and Reliability Analysis of FPGA-accelerated Large-Scale Systems

description: Future exascale systems will be more powerful but will fail much more frequently. Projections from current large-scale systems indicate that the Mean Time Between Failures (MTBF) is expected to be a few minutes. Thus, preserving MTBF at acceptable levels is a major concern for future systems. Radiation-induced effects are the major factor for the growth of transient errors on HPC systems. High-energy neutrons interact with the silicon die, creating a secondary cascade of charged particles. These can create current pulses that invert the values stored either in memories or produced by combinatorial logic. The proposed test strategy will attempt to study the vulnerability of the hardware technologies integrated on exascale systems. In particular, it will examine an FPGA device that is part of the H2020 EuroEXA’s project node and analyze the reliability of different HPC applications.
DOI: 10.5286/isis.e.rb2010745
title: Electron Motion in DNA

description: The electrom motion through DNA is a key factor to discuss the origin of the cancers and other disease of the humanbings. We are going to propose to invesitigate the electron motion in DNA. We suggest to carry out LF-denepdence of the muon-spin relaxation rate and ALC measurements on synthesis DNA mimic molecules. We are going to measure single-strand Guanine and Cytosine 12 mer synthesis molecules and double-strand G-C and A-T molecules. Especially, we examine methlated G-C combination in order to invesitgate effect of damages on DNA to th electrom motion.
DOI: 10.5286/isis.e.rb2010745-1
title: Electron Motion in DNA

description: The electrom motion through DNA is a key factor to discuss the origin of the cancers and other disease of the humanbings. We are going to propose to invesitigate the electron motion in DNA. We suggest to carry out LF-denepdence of the muon-spin relaxation rate and ALC measurements on synthesis DNA mimic molecules. We are going to measure single-strand Guanine and Cytosine 12 mer synthesis molecules and double-strand G-C and A-T molecules. Especially, we examine methlated G-C combination in order to invesitgate effect of damages on DNA to th electrom motion.
DOI: 10.5286/isis.e.rb2000047-3
title: Forcing Sr2NiO2Cu2Se2 into the low spin regime under pressure

description: This is a proposal to drive the layered oxide chalcogenide Sr2NiO2Cu2Se2 from the high-spin state with long range magnetic order to the low-spin state, similar to that displayed by the sulfide analogue, by the application of pressure. We request time under the Rapid Access scheme in order to rapidly augment our current structural and physical data and computational investigations produce a high impact publication.
DOI: 10.5286/isis.e.rb1910031
title: Pressure-induced novel quantum states in a triangular lattice antiferromagnet.

description: Quantum antiferromagnets on a triangular lattice are the most important prototype materials to investigate the phenomena of geometrical frustration, quantum fluctuations and magnetic order in solids. Apart from highly unusual magnetic properties, these systems possess a very rich phase diagram ranging from a simple unfrustrated square lattice to a quantum spin liquid, yet to be confirmed experimentally. On the other hand, almost nothing is known on the pressure-driven evolution of their magnetic properties. Recently, using the high-field TDO techniques, a number of novel field-induced transitions were revealed in the high-pressure phase of the triangular lattice antiferromagnet Cs2CuCl4. The exact nature of the observed field-induced phase transitions are to be clarified by means of magneto-structural studies, which is the main goal of the proposed research.
DOI: 10.5286/isis.e.rb1910031-1
title: Pressure-induced novel quantum states in a triangular lattice antiferromagnet.

description: Quantum antiferromagnets on a triangular lattice are the most important prototype materials to investigate the phenomena of geometrical frustration, quantum fluctuations and magnetic order in solids. Apart from highly unusual magnetic properties, these systems possess a very rich phase diagram ranging from a simple unfrustrated square lattice to a quantum spin liquid, yet to be confirmed experimentally. On the other hand, almost nothing is known on the pressure-driven evolution of their magnetic properties. Recently, using the high-field TDO techniques, a number of novel field-induced transitions were revealed in the high-pressure phase of the triangular lattice antiferromagnet Cs2CuCl4. The exact nature of the observed field-induced phase transitions are to be clarified by means of magneto-structural studies, which is the main goal of the proposed research.
DOI: 10.5286/isis.e.rb2000217
title: The low-temperature crystal structure of neopentane.

description: Neopentane [tetramethylmethane, C(CH3)4] is an ideal tetrahedral molecule, with 4 ̅3m symmetry, being the simplest alkane to contain a quaternary carbon and the lightest homologue in the series X(CH3)4, where X may be any one of the group IV elements, C, Si, Ge, Sn or Pb. Neopentane solidifies below 256.6 K in an orientationally-disordered cubic-close-packed plastic crystal. The structure and properties of this plastic crystalline phase have been extensively studied. At 140 K, neopentane transforms into an unknown structure that has been described as cubic, tetragonal and hexagonal. Using perdeuterated neopentane our goals are: (1) to determine the nature of the low–temperature phase of neopentane; (2) to produce a complete structure refinement; (3) to characterise the phase transition (including any hysteresis / frozen-in disorder) in to/from the higher-temperature phase.
DOI: 10.17632/x8n66jp3w7.1
title: Data for: A Systems Biology approach to propose a new mechanism of regulation of repetitive prophylaxis of stable Iodide on Sodium/Iodide Symporter (NIS)

description: The data is an xml-file created using CellDesigner software. The xml-file contains the data that depicts a biochemical reaction network of the biosynthesis of thyroid hormones in a single thyrocyte. All arches have been annotated with references available through the PubMed database.
DOI: 10.5286/isis.e.rb2000217-1
title: The low-temperature crystal structure of neopentane.

description: Neopentane [tetramethylmethane, C(CH3)4] is an ideal tetrahedral molecule, with 4 ̅3m symmetry, being the simplest alkane to contain a quaternary carbon and the lightest homologue in the series X(CH3)4, where X may be any one of the group IV elements, C, Si, Ge, Sn or Pb. Neopentane solidifies below 256.6 K in an orientationally-disordered cubic-close-packed plastic crystal. The structure and properties of this plastic crystalline phase have been extensively studied. At 140 K, neopentane transforms into an unknown structure that has been described as cubic, tetragonal and hexagonal. Using perdeuterated neopentane our goals are: (1) to determine the nature of the low–temperature phase of neopentane; (2) to produce a complete structure refinement; (3) to characterise the phase transition (including any hysteresis / frozen-in disorder) in to/from the higher-temperature phase.
DOI: 10.5286/isis.e.rb1970118
title: Magnetic Properties of Molecular p-d System l-(BEDT-STF)2FexGa1-xCl4

description: The purpose of this proposal is to reveal the mechanism of the peculiar magnetism observed in molecular p-d system l-(BEDT-STF)2FexGa1-xCl4, where BEDT-STF is bis(ethylenedithio)diselenadithiafulvalene. l-(BEDT-STF)2FexGa1-xCl4 shows a peculiar magnetic property that the local fields at Fe sites show a step-like development below an antiferromagnetic transition temperature (TN). The mechanism of the peculiar magnetism is considered to be derived from the magnetic coupling between p electrons with strong electron correlation and localized 3d spins. In this proposal, we investigate the Fe concentration dependence of the TN and the local fields at Fe sites. By controlling the Fe concentration, we can modulate the strength of the magnetic coupling systematically. From the results, we discuss the relationship between the coupling effect and the mechanism of the peculiar magnetism.
DOI: 10.5286/isis.e.rb1970118-1
title: Magnetic Properties of Molecular p-d System l-(BEDT-STF)2FexGa1-xCl4

description: The purpose of this proposal is to reveal the mechanism of the peculiar magnetism observed in molecular p-d system l-(BEDT-STF)2FexGa1-xCl4, where BEDT-STF is bis(ethylenedithio)diselenadithiafulvalene. l-(BEDT-STF)2FexGa1-xCl4 shows a peculiar magnetic property that the local fields at Fe sites show a step-like development below an antiferromagnetic transition temperature (TN). The mechanism of the peculiar magnetism is considered to be derived from the magnetic coupling between p electrons with strong electron correlation and localized 3d spins. In this proposal, we investigate the Fe concentration dependence of the TN and the local fields at Fe sites. By controlling the Fe concentration, we can modulate the strength of the magnetic coupling systematically. From the results, we discuss the relationship between the coupling effect and the mechanism of the peculiar magnetism.
DOI: 10.5286/isis.e.rb2010643
title: Spin dynamics and crystal field transitions of FCC frustrated quantum antiferromagnets

description: This proposal is part of our research programme to explore frustrated magnetism in the presence of strong spin orbit coupling. We have recently synthesized double pervoskites based on Yb3+ ion, which are candidates to display strong frustration effects on a face-centred cubic lattice. Theoretical proposals have been put forward that the strong spin-orbit coupling could stabilize bond-dependent anisotropic interactions, similar to Kitaev exchange in spin-orbit coupled honeycomb iridates. Here we plan to determine the crystal field transitions and thus deduce the magnetic ground state of the Yb3+ ions, and probe also the spin excitations and search for quantum zero-point gaps.
DOI: 10.5286/isis.e.rb2010643-1
title: Spin dynamics and crystal field transitions of FCC frustrated quantum antiferromagnets

description: This proposal is part of our research programme to explore frustrated magnetism in the presence of strong spin orbit coupling. We have recently synthesized double pervoskites based on Yb3+ ion, which are candidates to display strong frustration effects on a face-centred cubic lattice. Theoretical proposals have been put forward that the strong spin-orbit coupling could stabilize bond-dependent anisotropic interactions, similar to Kitaev exchange in spin-orbit coupled honeycomb iridates. Here we plan to determine the crystal field transitions and thus deduce the magnetic ground state of the Yb3+ ions, and probe also the spin excitations and search for quantum zero-point gaps.
DOI: 10.5286/isis.e.rb2068059-3
title: Water-in-Diesel Emulsion Fuels: Temperature Stability and Thermoreversibility

description: The emulsion fuels consist of water drops dispersed in a continuous pool of water. The inclusion of a small quantity of water along with fuel is know to have several advantage in terms of reduced engine emissions, for example, nitrogen oxides (NOx) and particulate matter. One of the simple way of introducing water into the fuel is via the formation of water-in-fuel emulsions. Typical concentration of water in such fuels is less than 20% by volume. The objective of this proposal is to investigate water-in-diesel emulsion fuels. In order to load emulsion in fuel tanks and their use in internal combustion (IC) engines, it is necessary to design emulsions that exhibit long term storage an temperature stability. Emulsion fuels at various fuel-water ratio will be formulated by considering surfactants as stabilizers and their nanostructure and stability of the resulting emulsion fuels.
DOI: 10.5286/isis.e.rb1920275
title: Conformation and structure of PB-g-PDMS bottlebrush melt

description: We intend to study the structure of polybutadiene-polydimethylsiloxane bottlebrush polymers. These new polymers have remarkable properties, like superior elasticity, excellent transparency, and compressibility. These properties can be accomplished by the unique architecture that has a backbone and sidearms that can be manipulated independently. Studying these bottlebrush polymers by small-angle neutron scattering will permit to relate the structure at the length-scale of single chains and the macromolecules with the macroscopic material behavior. It is the only way to fully exploit the capacity of these materials for future applications and the fundamental mechanisms behind. Only the high resolution of the 2dSANS can resolve the structural peaks at high Q that permit to relate theory and experiment.
DOI: 10.5286/isis.e.rb1920275-1
title: Conformation and structure of PB-g-PDMS bottlebrush melt

description: We intend to study the structure of polybutadiene-polydimethylsiloxane bottlebrush polymers. These new polymers have remarkable properties, like superior elasticity, excellent transparency, and compressibility. These properties can be accomplished by the unique architecture that has a backbone and sidearms that can be manipulated independently. Studying these bottlebrush polymers by small-angle neutron scattering will permit to relate the structure at the length-scale of single chains and the macromolecules with the macroscopic material behavior. It is the only way to fully exploit the capacity of these materials for future applications and the fundamental mechanisms behind. Only the high resolution of the 2dSANS can resolve the structural peaks at high Q that permit to relate theory and experiment.