cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.57760/sciencedb.17296
title: Multilayer polyethylene separator with enhanced thermal properties for safe lithium-ion batteries
title: Multilayer polyethylene separator with enhanced thermal properties for safe lithium-ion batteries

description: The separator plays an important part in battery safety and performance. Polyolefin separators are widely used in commercial Lithium-ion batteries (LIBs), owing to their excellent properties, but they suffer from serious thermal shrinkage and poor electrolyte wettability. Thus, a multilayer separator (ASPESA) is developed by coating two thin layers of low-density polyethylene (LDPE) and Al2O3 on both sides of a polyethylene membrane using a facile and environmentally friendly casting technique. The ASPESA separator demonstrates a shutdown function at 120 °C and shows enhanced thermal stability under 185 °C, with a small thermal shrinkage of 1%. Meanwhile, the LDPE and Al2O3 layers can improve the electrolyte wettability and electrolyte uptake (407.23%). The multilayer ASPESA separator delivers an excellent cycle performance in LiFePO4||Li cells with a discharge capacity of 144.5 mAh g−1 after 900 cycles, with a high-capacity retention of 98.9% (compared to the 5th cycle). Therefore, the multilayer ASPESA separator has great utilization potential as a high-safety separator in LIBs.
description: The separator plays an important part in battery safety and performance. Polyolefin separators are widely used in commercial Lithium-ion batteries (LIBs), owing to their excellent properties, but they suffer from serious thermal shrinkage and poor electrolyte wettability. Thus, a multilayer separator (ASPESA) is developed by coating two thin layers of low-density polyethylene (LDPE) and Al2O3 on both sides of a polyethylene membrane using a facile and environmentally friendly casting technique. The ASPESA separator demonstrates a shutdown function at 120 °C and shows enhanced thermal stability under 185 °C, with a small thermal shrinkage of 1%. Meanwhile, the LDPE and Al2O3 layers can improve the electrolyte wettability and electrolyte uptake (407.23%). The multilayer ASPESA separator delivers an excellent cycle performance in LiFePO4||Li cells with a discharge capacity of 144.5 mAh g−1 after 900 cycles, with a high-capacity retention of 98.9% (compared to the 5th cycle). Therefore, the multilayer ASPESA separator has great utilization potential as a high-safety separator in LIBs.
DOI: 10.57760/sciencedb.17294
title: Molecular dynamics simulations of α-glucosidase and liquiritigenin
title: Molecular dynamics simulations of α-glucosidase and liquiritigenin

description: Data source files on RMSD, RMSF,Rg and SASA for molecular dynamics simulations of α-glucosidase(α-Glu) （PDB: 3A4A）at 200ns in the presence or absence of liquiritigenin(LTG).The software used was Gromacs 2023.2.Prior to docking, α-Glu must be de-watered, hydrogenated, and polarised, and the LTG was preprocessed using the Amber force field of the Acpype server to obtain GMX.itp and GMX.gro files for the LTG. MD simulations were employed using GROMACS software: first, α-Glu and LTG were modeled with Amber99sb and Amber force fields, respectively. Then an ortho-dodecahedral box was built, and solvation and charge neutralization of α-Glu/α-Glu−LTG were performed and energy minimization of the system was carried out using the most rapid descent method. And the system was equilibrated using a canonical ensemble (NVT) and an isothermal-isobaric ensemble (NPT). The MD simulation time was set to 200 ns.
description: Data source files on RMSD, RMSF,Rg and SASA for molecular dynamics simulations of α-glucosidase(α-Glu) （PDB: 3A4A）at 200ns in the presence or absence of liquiritigenin(LTG).The software used was Gromacs 2023.2.Prior to docking, α-Glu must be de-watered, hydrogenated, and polarised, and the LTG was preprocessed using the Amber force field of the Acpype server to obtain GMX.itp and GMX.gro files for the LTG. MD simulations were employed using GROMACS software: first, α-Glu and LTG were modeled with Amber99sb and Amber force fields, respectively. Then an ortho-dodecahedral box was built, and solvation and charge neutralization of α-Glu/α-Glu−LTG were performed and energy minimization of the system was carried out using the most rapid descent method. And the system was equilibrated using a canonical ensemble (NVT) and an isothermal-isobaric ensemble (NPT). The MD simulation time was set to 200 ns.
DOI: 10.57760/sciencedb.17304
title: Dataset of gut microbiota analysis and metabolomics analysis of obese mice treated with Polygonati Rhizoma
title: Dataset of gut microbiota analysis and metabolomics analysis of obese mice treated with Polygonati Rhizoma

description: 16S rRNA sequencing analysis was performed on the colon contents of mice, and 5 parallel data points were obtained. Regarding the table data, the total number of data entries is 7, the row headings are sample numbers, and the column headings are numerical values.Metabolomics analysis was performed on mouse serum, and 8 parallel data points were obtained. Regarding table data, the row headings are Compound and the column headings are sample names.
description: 16S rRNA sequencing analysis was performed on the colon contents of mice, and 5 parallel data points were obtained. Regarding the table data, the total number of data entries is 7, the row headings are sample numbers, and the column headings are numerical values.Metabolomics analysis was performed on mouse serum, and 8 parallel data points were obtained. Regarding table data, the row headings are Compound and the column headings are sample names.
DOI: 10.57760/sciencedb.17306
title: Engineering the Solid Electrolyte Interphase for Enhancing High-Rate Cycling and Temperature Adaptability of Lithium-Ion Batteries
title: Engineering the Solid Electrolyte Interphase for Enhancing High-Rate Cycling and Temperature Adaptability of Lithium-Ion Batteries

description: In overcoming the barrier of rapid Li+ transfer in lithium-ion batteries under extreme temperatures, the desolvation process and interfacial charge transport play critical roles. However, tunning the solvation structure and designing kinetically-stable electrode-electrolyte interface to achieve high-rate charging and discharging remains challenges. Here, a lithium nonafluoro-1-butanesulfonate (NFSALi) additive is introduced to optimize a stability and robust solid electrolyte interface film (SEI), realizing the rapid Li+ transfer process and the structural integrity of electrode materials. The NFSALi-derived thinner, fluorine-rich, and sulfur-containing SEI in nitrile-assistant carbonate electrolytes effectively suppresses decomposition of valeronitrile solvent during high-rate cycling and wide-temperature operation (−40~55 ℃). More importantly, the graphiteǁLiNi0.5Co0.2Mn0.3O2 pouch cell demonstrates a capacity retention of 66.88% after 200 high-rate cycles with 3 C charging and 5 C discharging at a high-temperature condition of 55 °C. This work provides significant guidance to develop inorganic-rich interfacial chemistry for lithium-ion batteries under extreme operating conditions.
description: In overcoming the barrier of rapid Li+ transfer in lithium-ion batteries under extreme temperatures, the desolvation process and interfacial charge transport play critical roles. However, tunning the solvation structure and designing kinetically-stable electrode-electrolyte interface to achieve high-rate charging and discharging remains challenges. Here, a lithium nonafluoro-1-butanesulfonate (NFSALi) additive is introduced to optimize a stability and robust solid electrolyte interface film (SEI), realizing the rapid Li+ transfer process and the structural integrity of electrode materials. The NFSALi-derived thinner, fluorine-rich, and sulfur-containing SEI in nitrile-assistant carbonate electrolytes effectively suppresses decomposition of valeronitrile solvent during high-rate cycling and wide-temperature operation (−40~55 ℃). More importantly, the graphiteǁLiNi0.5Co0.2Mn0.3O2 pouch cell demonstrates a capacity retention of 66.88% after 200 high-rate cycles with 3 C charging and 5 C discharging at a high-temperature condition of 55 °C. This work provides significant guidance to develop inorganic-rich interfacial chemistry for lithium-ion batteries under extreme operating conditions.
DOI: 10.57760/sciencedb.17309
title: Granular collapse in fluids: Dynamics and flow regime identification
title: Granular collapse in fluids: Dynamics and flow regime identification

description: The collapse of granular material in fluids is a prevalent phenomenon in both natural and industrial processes, displaying a notable sensitivity to initial configuration of the system. This study is specifically oriented towards falling process of collapsing material under various fluid conditions, employing the computational fluid dynamics-discrete element method (CFD-DEM) to primarily investigate the dynamics and scaling laws of deposit morphology of collapsed material. Through a comprehensive analysis of particle sedimentation in fluids, we introduce a refined inertial characteristic time for granular collapse within the inertial regime. Subsequently, we propose modifications to conventional fluid-particle density ratio and Reynolds number, aiming to enhance the accuracy of depicting collapse dynamics and identifying flow regimes across diverse column heights and fluid conditions. Finally, we construct a phase diagram of flow regimes using modified dimensionless numbers, emphasizing the role of column height in transition between viscous and inertial regimes. These parameters demonstrate enhanced relevance in governing the collapse of immersed granular columns, thereby contributing to a more nuanced understanding of fluid-particle interations in dense granular flows under different regimes.
description: The collapse of granular material in fluids is a prevalent phenomenon in both natural and industrial processes, displaying a notable sensitivity to initial configuration of the system. This study is specifically oriented towards falling process of collapsing material under various fluid conditions, employing the computational fluid dynamics-discrete element method (CFD-DEM) to primarily investigate the dynamics and scaling laws of deposit morphology of collapsed material. Through a comprehensive analysis of particle sedimentation in fluids, we introduce a refined inertial characteristic time for granular collapse within the inertial regime. Subsequently, we propose modifications to conventional fluid-particle density ratio and Reynolds number, aiming to enhance the accuracy of depicting collapse dynamics and identifying flow regimes across diverse column heights and fluid conditions. Finally, we construct a phase diagram of flow regimes using modified dimensionless numbers, emphasizing the role of column height in transition between viscous and inertial regimes. These parameters demonstrate enhanced relevance in governing the collapse of immersed granular columns, thereby contributing to a more nuanced understanding of fluid-particle interations in dense granular flows under different regimes.
DOI: 10.57760/sciencedb.17315
title: Measurement of acceleration and angular velocity of particles during a 3D silo discharge
title: Measurement of acceleration and angular velocity of particles during a 3D silo discharge

description: Accurate measurement of the three-dimensional (3D) movement of discrete particles is crucial for comprehending complex granular rheology in silos. In this paper, the acceleration and angular velocity of particles in 3D silos are measured by using a spherical detector based on inertial technology and magnetic positioning technology. The acceleration of particles is the largest in the center of silos, which suggest that the resistance generated by friction and extrusion is the smallest. Surprisingly, the angular velocity distribution follows lognormal function except for particles near the outlet. The correlation between acceleration and angular velocity is opposite in different flow regions. It reveals for the first time that the extent to which the resultant force on the particles affects their rotational motion is related to the flow pattern. These results have practical significance for regulating the granular flow pattern and optimizing the structural design of silos.
description: Accurate measurement of the three-dimensional (3D) movement of discrete particles is crucial for comprehending complex granular rheology in silos. In this paper, the acceleration and angular velocity of particles in 3D silos are measured by using a spherical detector based on inertial technology and magnetic positioning technology. The acceleration of particles is the largest in the center of silos, which suggest that the resistance generated by friction and extrusion is the smallest. Surprisingly, the angular velocity distribution follows lognormal function except for particles near the outlet. The correlation between acceleration and angular velocity is opposite in different flow regions. It reveals for the first time that the extent to which the resultant force on the particles affects their rotational motion is related to the flow pattern. These results have practical significance for regulating the granular flow pattern and optimizing the structural design of silos.
DOI: 10.5281/zenodo.15278162
title: Greater New York Area Flash Flood Inundation Estimation Based on NOAA Storm Events Data

description: Greater New York Area Flash Flood Inundation Estimation Based on NOAA Storm Events Data

This dataset was used as ground truth in the research article by Kim et al. (2025).

## Contents

The dataset contains the following materials:

1. **Flash flood event narratives** (`Narratives.xlsx`)  2. **Inundation depth estimations by domain experts** (`Narratives.xlsx`)  3. **Reference materials used to support inundation depth estimation** (`Reference.xlsx`)
DOI: 10.5281/zenodo.15278163
title: Greater New York Area Flash Flood Inundation Estimation Based on NOAA Storm Events Data

description: Greater New York Area Flash Flood Inundation Estimation Based on NOAA Storm Events Data

This dataset was used as ground truth in the research article by Kim et al. (2025).

## Contents

The dataset contains the following materials:

1. **Flash flood event narratives** (`Narratives.xlsx`)  2. **Inundation depth estimations by domain experts** (`Narratives.xlsx`)  3. **Reference materials used to support inundation depth estimation** (`Reference.xlsx`)
DOI: 10.57760/sciencedb.j00133.00417
title: Social media rumor detection datasets, Twitter15, Twitter16, PHEME
title: Social media rumor detection datasets, Twitter15, Twitter16, PHEME

description: Twitter 15、Twitter 16 和 PHEME。Twitter15 和 Twitter16 数据集中的每个陈述都被标记为非谣言 （NR）、虚假谣言 （F）、真实谣言 （T） 或未经证实的谣言 （U）。PHEME 数据集被标记为虚假谣言 （F） 、真谣言 （T） 和未经证实的谣言 （U）。数据集包含丰富的信息，包括作者发布的源文章、其他用户评论或转发的文章及其发布时间。从事件总数来看，Twitter15 包含 1490 个事件，Twitter16 包含 818 个事件，PHEME 已达到 2402 个事件。从谣言分类来看，Twitter 15 上有 370 个虚假谣言事件，Twitter 16 上有 205 个，PHEME 上有 638 个;就真实谣言事件的数量而言，Twitter15 和 Twitter16 都有 205 个，PHEME 达到了 1067 个;就未经证实的谣言事件数量而言，Twitter15 和 Twitter16 分别为 374 和 203，而 PHEME 有 697 个，PHEME 中非谣言事件的数量尚未明确给出。此外，所有活动的转发评论总数在 Twitter 15 上达到 331612，在 Twitter 16 上达到 204820 条，在 PHEME 上达到 105354。
description: Twitter 15、Twitter 16 和 PHEME。Twitter15 和 Twitter16 数据集中的每个陈述都被标记为非谣言 （NR）、虚假谣言 （F）、真实谣言 （T） 或未经证实的谣言 （U）。PHEME 数据集被标记为虚假谣言 （F） 、真谣言 （T） 和未经证实的谣言 （U）。数据集包含丰富的信息，包括作者发布的源文章、其他用户评论或转发的文章及其发布时间。从事件总数来看，Twitter15 包含 1490 个事件，Twitter16 包含 818 个事件，PHEME 已达到 2402 个事件。从谣言分类来看，Twitter 15 上有 370 个虚假谣言事件，Twitter 16 上有 205 个，PHEME 上有 638 个;就真实谣言事件的数量而言，Twitter15 和 Twitter16 都有 205 个，PHEME 达到了 1067 个;就未经证实的谣言事件数量而言，Twitter15 和 Twitter16 分别为 374 和 203，而 PHEME 有 697 个，PHEME 中非谣言事件的数量尚未明确给出。此外，所有活动的转发评论总数在 Twitter 15 上达到 331612，在 Twitter 16 上达到 204820 条，在 PHEME 上达到 105354。
DOI: 10.57760/sciencedb.17319
title: Fabrication of micro spherulitic particles of carbamazepine-hesperetin cocrystal via QESD with enhanced manufacturability and dissolution
title: Fabrication of micro spherulitic particles of carbamazepine-hesperetin cocrystal via QESD with enhanced manufacturability and dissolution

description: Granulation is an effective method for improving the flowability of drugs, particularly when they are in needle form. Carbamazepine-hesperetin (CBZ-HPE) cocrystal is a needle-like crystal with low solubility and poor flowability, which limits its application. To address this issue, this study aimed to obtain CBZ-HPE microspheres using the quasi-emulsion solvent diffusion (QESD) technique. The preparation process was monitored using polarized light microscopy, and the formation mechanism was elucidated using the radial distribution function (RDF). The microspheres were extensively characterized using PXRD, DSC, TGA, and SEM. Furthermore, the effects of surfactants, contents, and rotational speeds on the morphology and particle size distribution of microspheres were analyzed to determine the optimal experimental conditions. Based on these findings, naringenin and quercetin, the active ingredients of traditional Chinese medicine, were chosen to successfully prepare CBZ-HPE multicomponent microspheres. This research provides a foundation for increasing drug powder properties and drug conjugation through the preparation of microspheres.
description: Granulation is an effective method for improving the flowability of drugs, particularly when they are in needle form. Carbamazepine-hesperetin (CBZ-HPE) cocrystal is a needle-like crystal with low solubility and poor flowability, which limits its application. To address this issue, this study aimed to obtain CBZ-HPE microspheres using the quasi-emulsion solvent diffusion (QESD) technique. The preparation process was monitored using polarized light microscopy, and the formation mechanism was elucidated using the radial distribution function (RDF). The microspheres were extensively characterized using PXRD, DSC, TGA, and SEM. Furthermore, the effects of surfactants, contents, and rotational speeds on the morphology and particle size distribution of microspheres were analyzed to determine the optimal experimental conditions. Based on these findings, naringenin and quercetin, the active ingredients of traditional Chinese medicine, were chosen to successfully prepare CBZ-HPE multicomponent microspheres. This research provides a foundation for increasing drug powder properties and drug conjugation through the preparation of microspheres.
DOI: 10.57760/sciencedb.17330
title: Boosting Li-ion storage kinetics via constructing layered TiO2 anode
title: Boosting Li-ion storage kinetics via constructing layered TiO2 anode

description: Due to the typical intercalation-deintercalation mechanism, TiO2 holds great promise as a sustainable anode for next-generation lithium-ion batteries (LIBs). However, commercial TiO2 (C–TiO2) is granular and shows slow ionic conductivity, which greatly hinders its development due to sluggish kinetics, leading to low reversible capacity and inferior rate capability. In this study, a two-dimensional layered TiO2 (L-TiO2) anode is prepared via a one-step calcination process, which can effectively shorten the lithium ions diffusion path and improve its lithium ions conductivity. We elucidated the enhanced electrochemical performance of L-TiO2 as an anode in LIBs through pseudocapacitive acceleration of lithium ions intercalation and deintercalation using various characterization techniques, including different scan rate cyclic voltammetry tests, in situ electrochemical impedance spectroscopy, in situ Raman spectroscopy, and in situ X-ray diffraction. In comparison to C–TiO2 material, L-TiO2 material showcases remarkable electrochemical performance, achieving a capacity of 166 mAh/g after 100 cycles at 0.1 C. Additionally, the lithium-ion diffusion coefficient calculated for the L-TiO2 is two orders of magnitude greater, underscoring its potential as a negative electrode material for LIBs.
description: Due to the typical intercalation-deintercalation mechanism, TiO2 holds great promise as a sustainable anode for next-generation lithium-ion batteries (LIBs). However, commercial TiO2 (C–TiO2) is granular and shows slow ionic conductivity, which greatly hinders its development due to sluggish kinetics, leading to low reversible capacity and inferior rate capability. In this study, a two-dimensional layered TiO2 (L-TiO2) anode is prepared via a one-step calcination process, which can effectively shorten the lithium ions diffusion path and improve its lithium ions conductivity. We elucidated the enhanced electrochemical performance of L-TiO2 as an anode in LIBs through pseudocapacitive acceleration of lithium ions intercalation and deintercalation using various characterization techniques, including different scan rate cyclic voltammetry tests, in situ electrochemical impedance spectroscopy, in situ Raman spectroscopy, and in situ X-ray diffraction. In comparison to C–TiO2 material, L-TiO2 material showcases remarkable electrochemical performance, achieving a capacity of 166 mAh/g after 100 cycles at 0.1 C. Additionally, the lithium-ion diffusion coefficient calculated for the L-TiO2 is two orders of magnitude greater, underscoring its potential as a negative electrode material for LIBs.
DOI: 10.57760/sciencedb.17332
title: HER2 binding lectin selected by cDNA display
title: HER2 binding lectin selected by cDNA display

description: The dataset includes the sequence of the HER2 extracellular domain, the C-type lectin domain (CTLD) of human mannose-binding lectin, and the HER-binding lectin sequence obtained by random mutagenesis of amino acids 51–67 in the CTLD followed by selection using cDNA display technology.
description: The dataset includes the sequence of the HER2 extracellular domain, the C-type lectin domain (CTLD) of human mannose-binding lectin, and the HER-binding lectin sequence obtained by random mutagenesis of amino acids 51–67 in the CTLD followed by selection using cDNA display technology.
DOI: 10.57760/sciencedb.17331
title: Voidage correction method for DEM study of 3D pebble flows in a bed of cycloidal base
title: Voidage correction method for DEM study of 3D pebble flows in a bed of cycloidal base

description: Voidage (porosity or void fraction) in packed particles (or pebbles) is of fundamental importance in calculating the pressure drop, obtaining the drag, predicting the bed permeability, estimating the neutron streaming, etc. For the case when particles are deformed, a method of voidage correction during the packing state is proposed using a Discrete Element Method (DEM) simulation of 3D pebble flow inside a bed of cycloidal base. A function to evaluate the remaining volume of a pebble intercepted by horizontal and vertical planes is proposed for voidage calculation. After that, the process of solving voidage distribution is provided in detail. Using this method, the voidage inside the cycloidal-base pebble bed is obtained to refer to reported similar data for validation. This method can be potentially used for dynamical voidage calculation in CFD-DEM simulation which can get suitable voidage distribution after the correction.
description: Voidage (porosity or void fraction) in packed particles (or pebbles) is of fundamental importance in calculating the pressure drop, obtaining the drag, predicting the bed permeability, estimating the neutron streaming, etc. For the case when particles are deformed, a method of voidage correction during the packing state is proposed using a Discrete Element Method (DEM) simulation of 3D pebble flow inside a bed of cycloidal base. A function to evaluate the remaining volume of a pebble intercepted by horizontal and vertical planes is proposed for voidage calculation. After that, the process of solving voidage distribution is provided in detail. Using this method, the voidage inside the cycloidal-base pebble bed is obtained to refer to reported similar data for validation. This method can be potentially used for dynamical voidage calculation in CFD-DEM simulation which can get suitable voidage distribution after the correction.