cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/w6ct8yrn2z
title: Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We present a patch code for LAMMPS to implement a coarse grained (CG) model of poly(vinyl alcohol) (PVA). LAMMPS is a powerful molecular dynamics (MD) simulator developed at Sandia National Laboratories. Our patch code implements tabulated angular potential and Lennard-Jones-9-6 (LJ96) style interaction for PVA. Benefited from the excellent parallel efficiency of LAMMPS, our patch code is suitable for large-scale simulations. This CG-PVA code is used to study polymer crystallization, which i... Title of program: lammps-cgpva Catalogue Id: AEDE_v1_0 Nature of problem Implementing special tabular angle potentials and Lennard-Jones-9-6 style interactions of a coarse grained polymer model for LAMMPS code. Versions of this program held in the CPC repository in Mendeley Data AEDE_v1_0; lammps-cgpva; 10.1016/j.cpc.2009.01.028
DOI: 10.17632/x92rbd64cd
title: Dietsch et al. 2024, Solute excretion improves trehalose uptake and desiccation tolerance of Metarhizium brunneum blastospores

description: This dataset contains the raw and processed data from the manuscript "Solute excretion improves trehalose uptake and desiccation tolerance of Metarhizium brunneum blastospores" by Dietsch et al. 2024.
DOI: 10.6084/m9.figshare.3564087.v1
title: Appendix B. Correlations between species’ life history traits and the principal coordinate analysis ordination.

description: Correlations between species’ life history traits and the principal coordinate analysis ordination.
DOI: 10.6084/m9.figshare.12283805.v1
title: Dataset of 282 residential 3D buildings generated using a hybrid evolution strategy

description: This dataset comprises of 282 residential 3D buildings in DXF format. The dataset includes single- and 2-storey family houses, 4-storey apartment buildings, and 8-storey apartment buildings.<br>Theses buildings were generated using EPSAP algorithm (see references for description on the generative design method).
DOI: 10.6084/m9.figshare.14994363.v1
title: Visual learning in a virtual reality environment upregulates immediate early gene expression in the mushroom bodies of honey bees

description: Dataset for figures 2 to 5<br>
DOI: 10.6084/m9.figshare.24771567.v1
title: Data for Paper EHR (Behavioral Intention)

description: The COVID-19 pandemic highlighted the crucial role of electronic health records (EHRs) in data sharing for patient care coordination and disease surveillance, offering real-time, patient-centered information. EHRs have been globally recognized for improving healthcare quality, enhancing care efficiency, and reducing costs, with potential benefits in resource-limited settings. Despite the numerous benefits, challenges in EHR adoption persist in such settings, including computer illiteracy, lack of training, and infrastructure limitations. The need to address factors influencing nurses' behavioral intention to use EHRs in resource-limited settings led to the proposal of a modified Unified Theory of Acceptance and Use of Technology (UTAUT) model specifically tailored for such settings. The study employed a cross-sectional research design where the data was collected from nurses in resource-limited settings at a single point in time. The foundational UTAUT model was adopted and enhanced with additional constructs and moderating factors specific to resource-limited settings. The multiple regression analysis on the main study variables demonstrated significant positive effects of performance expectancy, effort expectancy, personal innovativeness, and attitude toward use on nurses’ behavioral intention to use EHRs, with computer anxiety negatively impacting it. Additionally, moderators such as age, IT experience, professional experience, and education significantly influenced the main study variables (except no impact of age on resistance to change), suggesting that nurses' characteristics impact their behavioral intention to use EHRs.
DOI: 10.6084/m9.figshare.25864537.v1
title: Data used in MT for econometric models.xlsx

description: Through econometric tests, the thesis aims to identify significant variables that influence intermodal rail freight transport volume. By synthesizing theoretical insights with empirical findings, this research contributes to economics and logistics management, offering comprehensive guidance for policymakers, industry stakeholders, and academic researchers in optimizing intermodal transport systems for a sustainable and efficient future.
DOI: 10.6084/m9.figshare.29150012.v1
title: Supplementary Material for: Cyclic Hypertonia and Hypotonia Associated with Intrathecal Baclofen Pumps: Findings and Treatments

description: Background: Intrathecal baclofen therapy and baclofen pumps can lead to complications, including recurrent cycles of alternating hypertonia and hypotonia. The causes and optimal treatments for this issue remain unclear. This study reviews presentations, radiologic and surgical findings, treatments, and outcomes in cases of cyclic hypertonia/hypotonia.

Methods: We reviewed patients with baclofen pumps treated at our hospital from 1998 to 2024 who developed cyclic hypertonia/hypotonia. Data collected included patient sex, etiology and type of tone abnormality, age at pump placement, age and weight at symptom onset, infusion rate and type at onset, side port access and catheter dye study results, treatments, surgical findings, and outcomes.

Results: We identified 15 cases in 14 patients (10 females, 71%; 4 males, 29%). Among 248 patients with baclofen pumps, 38% were female. Females were significantly more likely to develop cyclic hypertonia/hypotonia (p&lt;0.01). The mean age at pump implantation was 10.2 years, and the mean time from last pump surgery to symptom onset was 645 days. All patients received enteric baclofen initially; 14 also had pump rate adjustments. Three patients improved without surgery, and one died during a hypotonia episode.
Side port access showed patent catheters in 7 of 8 cases, with 6 of these showing good intrathecal dye dispersion. Surgery was performed in 11 cases, including two surgeries in 6 cases. Nine patients had pump replacements; 8 also had catheter revisions. Surgical findings included catheter kinks in 4 cases (36% of surgical cases) and leaks in 5 cases (45%), with 4 leaks at the pump-connector catheter connection.
Six of 11 partial revisions (55%) and all 5 complete catheter replacements (100%) resulted in symptom resolution without recurrence. Replacing the pump-connector segment resolved symptoms without recurrence in 4 of 5 patients with leaks at this site. Overall, all patients undergoing surgery experienced symptom improvement without recurrence after one or two revisions.

Conclusion: Adjusting pump rates and adding enteric baclofen may help some patients with cyclic hypertonia/hypotonia. If a leak at the pump-connector catheter segment is identified, segment replacement should be considered. When partial revisions fail, complete catheter replacement appears more effective, especially as a second surgery. Cyclic hypertonia/hypotonia is a treatable complication of baclofen pumps.
DOI: 10.17632/3pwjjz6xtt
title: Data for "Diagnosing atmospheric heating rate changes using radiative kernels"

description: This contains the monthly heating rate kernel based on ERA5 and data for "Diagnosing atmospheric heating rate changes using radiative kernels". Please find more details in README file.
DOI: 10.17632/wydknkk5k2
title: LLC-2024

description: Lymphocyte Leukemia Image Classification 2024. 1776 high-resolution bone marrow images, each with dimensions of 5440×3648 pixels. The camera's physical resolution is perfectly matched to the image dimension, encompassing approximately 17826 cells, we cropped cells into single cell images based on annotations from medical experts.
DOI: 10.25380/iastate.29078498.v1
title: Raw data for MICAP Optimization

description: The dataset represents raw data for a novel ionization optimization of the Microwave Inductively Coupled Atmospheric Pressure Plasma (MICAP) for elemental analysis. The tabular and image data will enable the reader to view differences in signal intensities produced by the spectrometer instrument under different parameters applied. File types used include .csv and .jpg formats.
DOI: 10.6084/m9.figshare.14315213.v1
title: Supplementary Material for: Association between Hidradenitis Suppurativa and Inflammatory Arthritis: A Systematic Review and Meta-Analysis

description: <b><i>Background:</i></b> Several studies report a high prevalence of inflammatory arthritis among hidradenitis suppurativa (HS) patients. <b><i>Objectives:</i></b> To study the association between HS and inflammatory arthritis. <b><i>Methods:</i></b> The systematic review and meta-analysis were performed according to the PRISMA guidelines to identify the association between HS and inflammatory arthritis, spondyloarthritis, ankylosing spondylitis (AS), and rheumatoid arthritis (RA). <b><i>Results:</i></b> Seven studies were entered in the analysis, with 200,361 HS patients and 385,599 controls. Pooled analysis illustrated a significantly increased risk of inflammatory arthritis in HS patients compared to controls (odds ratio [OR] 3.44; 95% confidence interval [CI] 1.92–6.17). There was also a statistically significant association between HS and spondyloarthritis (OR 2.10; 95% CI 1.40–3.15), and between HS and AS (OR 1.89; 95% CI 1.14–3.12). Moreover, pooled analysis showed a statistically significant association between HS and RA (OR 1.96; 95% CI 1.28–2.98). <b><i>Conclusions:</i></b> Our findings show that HS patients have a 3-fold increased risk of developing inflammatory arthritis. HS patients are specifically at a higher risk for spondyloarthritis, its subtype AS, and RA.
DOI: 10.6084/m9.figshare.8312822.v2
title: RPKM values and functional description for transcripts in all samples.xlsx

description: RPKM values and functional description for transcripts in all samples
DOI: 10.17632/3zkgyw5w48
title: Crop water requirements 

description: Estimation of the crop water requirements by combinaison of remote sensing data and meteorological data 
The use of dual crop coefficient of the FAO-65 model
DOI: 10.17632/hn76s7x848
title: CUDA-based focused Gaussian beams second-harmonic generation efficiency calculator

description: We present an object-oriented programming (OOP) CUDA-based package for fast and accurate simulation of second-harmonic generation (SHG) efficiency using focused Gaussian beams. The model includes linear as well as two-photon absorption that can ultimately lead to thermal lensing due to self-heating effects. Our approach speeds up calculations by nearly 40x (11x) without (with) temperature profiles with respect to an equivalent implementation using CPU. The package offers a valuable tool for experimental design and study of 3D field propagation in nonlinear three-wave interactions. It is useful for optimization of SHG-based experiments and mitigates undesired thermal effects, enabling improved oven designs and advanced device architectures, leading to stable, efficient high-power SHG.
DOI: 10.6084/m9.figshare.19586500.v1
title: Replication Package for "A Comprehensive Evaluation of SZZ Variants Through a Developer-informed Oracle"

description: This is the replication package for "A Comprehensive Evaluation of SZZ Variants Through a Developer-informed Oracle" Abstract: "Automatically linking bug-fixing changes to bug-inducing ones (BICs) is one of the key data-extraction steps behind several empirical studies in software engineering. The SZZ algorithm is the de facto standard to achieve this goal, with several improvements proposed over time. Evaluating the performance of SZZ implementations is, however, far from trivial. In previous works, researchers (i) manually assessed whether the BICs identified by the SZZ implementation were correct or not, or (ii) defined oracles in which they manually determined BICs from bug-fixing commits. However, ideally, the original developers should be involved in defining a labeled dataset to evaluate SZZ implementations. We propose a methodology to define a “developer-informed” oracle for evaluating SZZ implementations, without requiring a manual inspection from the original developers. We use Natural Language Processing (NLP) to identify bug-fixing commits in which developers explicitly reference the commit(s) that introduced the fixed bug. We use the built oracle to extensively evaluate existing SZZ variants defined in the literature. We also introduce and evaluate two new variants aimed at addressing two weaknesses we observed in state-of-the-art implementations (i.e., processing added lines and handling of revert commits)"
DOI: 10.6084/m9.figshare.28169462.v1
title: Examining the clinical utility of the Assessment of Client’s Enablement (ACE): Qualitative study (Storyline)

description: Participants storylines (in Japanese)
DOI: 10.6084/m9.figshare.29085002.v3
title: City-level process-related CO₂ emissions in China 2000–2021

description: This is the data file for review of the manuscript "City-level process-related CO₂ emissions in China 2000–2021" submitted to Scientific Data.
DOI: 10.17632/6976zxctpv
title: GPU-based acceleration of free energy calculations in solid state physics

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Obtaining a thermodynamically accurate phase diagram through numerical calculations is a computationally expensive problem that is crucially important to understanding the complex phenomena of solid state physics, such as superconductivity. In this work we show how this type of analysis can be significantly accelerated through the use of modern GPUs. We illustrate this with a concrete example of free energy calculation in multi-band iron-based superconductors, known to exhibit a superconducti... Title of program: Free_Energy Catalogue Id: AEVX_v1_0 Nature of problem GPU-accelerated free energy calculations in multi-band iron-based superconductor models. Versions of this program held in the CPC repository in Mendeley Data AEVX_v1_0; Free_Energy; 10.1016/j.cpc.2015.02.012
DOI: 10.6084/m9.figshare.14524338.v3
title: Wright et al Quercus lobata leaf bud burst data

description: Data in support of a study of phenological variation in leaf bud burst within a replicated provenance trial of valley oak, <i>Quercus lobata. </i>Manuscript is published in a special issue of the journal Madrono focused on plant phenology. <br><br>Appendix S3. Maternal family (accessions) means used for Figure 2.Appendix S4. Maternal family (accessions) BLUPs used in other analyses. <br>Appendix S5. Complete data. All raw data used in the study.<br><br>Additional information about the analyses is in the manuscript.<br>
DOI: 10.6084/m9.figshare.25561329.v1
title: Supplementary Material for: Overlapping Spots of Photodynamic Therapy for Treatment of Choroidal Hemangioma in Sturge-Weber Syndrome: A Case Report

description: Introduction 
Photodynamic therapy (PDT) has shown substantial benefit in the treatment of choroidal hemangioma (CH) in recent years. This report describes the use of PDT with overlapping spots in a patient with Sturge-Weber syndrome (SWS) and large circumscribed CH.

Case Presentation 
A 9-year-old girl with SWS and a history of glaucoma in her left eye was referred to retina clinic for possible macular changes. Examination revealed decreased vision in the left eye, pigmentary changes in the macula, and choroidal thickening in the posterior pole. After being lost to follow-up for two years, the patient returned with further vision deterioration with best-corrected visual acuity (BCVA) of 20/150 and new subretinal fluid (SRF). Imaging findings were consistent with a diagnosis of CH and subretinal fluid. PDT with verteporfin was initiated on the entire area with multiple overlapping spots resulting in resolution of SRF and improvement in visual acuity and choroidal contour. At 18 months post-treatment, the patient's BCVA was 20/25 with no recurrence of SRF or increased choroidal thickening. Significant pigmentary changes and subretinal hyperreflective material were observed in the OCT of the treated area.

Discussion
Multiple overlapping laser spots of PDT can result in longstanding regression of large circumscribed CH in a patient with SWS with excellent final visual acuity. However, significant subretinal changes may also result following this method of treatment.
DOI: 10.6084/m9.figshare.25568571.v4
title: An entity alignment approach coupling NGBoost and SHAP for Constructing Spatio-temporal Evolution Knowledge Graph from Historical Atlases

description: This is the data and codes that support the findings of the IJGIS paper "An entity alignment approach coupling NGBoost and SHAP for Constructing Spatio-temporal Evolution Knowledge Graph from Historical Atlases".
DOI: 10.17632/3mxjfyc7d6
title: A study of Plasmodium UIS4 protein interactors

description: To identify interacting partners of the parasitophorous vacuole membrane-resident protein UIS4 (PbUIS4) we employed immunoprecipitation followed by mass spectrometry analysis.  Anti-PbUIS4 antibody (SICGEN, Cat# AB0042-200) was used to probe the lysates of the hepatoma cell line Huh7, infected either with PbWT or Pbuis4- parasites. Immunoprecipitation was carried out at 24 h post-infection (h.p.i). The immunoprecipitated proteins were resolved by SDS-PAGE and visualized by silver staining (Figure pannel: MBana_Immunoprecipitation_SDS_SilverStaining.pdf). Three differential bands that were detected in the PbWT immunoprecipitate were excised and analyzed by mass spectrometry (Figure pannel – highlighted by the grey boxes). The regions corresponding to the molecular weights of those bands in the lane of immunoprecipitated proteins obtained from Pbuis4- infected cells were also excised and analyzed as controls (Figure pannel - highlighted by the green boxes). Excised protein bands were destained, reduced, alkylated, and digested with trypsin (Promega) overnight at 37⁰C (6.7 ng/μl). The tryptic peptides were actively extracted from the bands, desalted, and concentrated using POROS R2 (Applied Biosystems) and, eluted directly onto the MALDI plate using 0.6 μl of 2.5 mg/ml CHCA (alpha-cyano-4-hydroxycinnamic acid, Sigma) in 50 % (v/v) acetonitrile and 5 % (v/v) formic acid. Data acquisition was performed on positive reflector MS and MS/MS modes using a 4800plus MALDI-TOF/TOF (ABSciex) mass spectrometer and using 4000 Series Explorer Software v.3.5.3 (Applied Biosystems). External calibration was performed using CalMix5 (Protea). The twenty-five most intense precursor ions from the MS spectra were selected for MS/MS analysis.  The raw MS and MS/MS data were analyzed using the Protein Pilot Software v. 4.5 (ABSciex) with the Mascot search engine (MOWSE algorithm). The search parameters were as follows: monoisotopic peptide mass values were considered, maximum precursor mass tolerance (MS) of 50 ppm and a maximum fragment mass tolerance (MS/MS) of 0.3 Da. The search was performed against the SwissProt protein database with no taxonomic restriction. A maximum of two missed cleavages was allowed. Carboxyamidomethylation of Cysteines, oxidation of methionine and N-Pyro Glu of the N-terminal Q were set as variable modifications. Protein identification was only accepted when significant protein homology scores were obtained (P<0.05, scores higher than 70) and at least one peptide was fragmented with a significant individual ion score (P<0.05). Mass Spectrometry Analysis of raw data with Mascot Search Results list for each excised sample are listed (Excel file: MBana_Mass Spectrometry Analysis_Raw Data).
DOI: 10.6084/m9.figshare.13372271.v1
title: COVID-19

description: COVID-19 VACCINES <br>
DOI: 10.6084/m9.figshare.19443161.v1
title: Final list of indels

description: The final set of insertions/deletions (indels) provided in VCF format in <em>P. biaurelia</em>, <em>P. sexaurelia</em>, <em>P. tetraurelia</em>, and <em>P. caudatum.</em> <br> These files were used to perform analyses in the manuscript - "<strong>A population-genetic lens into the process of gene loss following whole-genome duplication"</strong>.
DOI: 10.6084/m9.figshare.27680280.v2
title: Ethiopian Cereal Crop Dataset (1996–2022): Regional Annual Yield, Production, and Cultivated Area Trends

description: The dataset consists of the annual crop yield data for six major crops grown during the main Meher season by private peasant holdings across nine regions and one administrative city in Ethiopia from 1996 to 2022. features include crop type, year, region, area cultivated (in hectares), production (in kilograms), and yield (in kg/ha). The dataset was compiled from Ethiopian Statistical Agency annual reports and aims to provide well organized, accessible data for agricultural research and data analysis. Missing values are included as they appear in the original reports and Researchers are encouraged to manage these missing values in accordance with the needs of their study.
DOI: 10.17632/s7ykfbr69y
title: Handmade double-blade scalpel for Mohs surgery

description: Clinical Challenge: Obtaining Mohs surgery stages can be challenging in certain areas with loose or flaccid skin such as the eyelid. This might be helped by double-blade scalpels that make the cut on both sides of the stage simultaneously, while the skin is still tightened. Some authors described the use of scalpel handles with two notches for two blades, although they might not be available in all hospitals.1 Arnon et al.2 described a simple way of making a double-blade scalpel by attaching a second blade to a common scalpel handle with tape. However, the bond relies on the tape, and we found that the use of two scalpel handles provides a more stable union.
 
Solution: One scalpel is attached to the handle as usual, and to keep a 3 mm distance between the blades, the notch of both handles must face each other (Video 1). Therefore, the second blade should be placed oppositely so both blades face the same direction, which although it does not allow for a perfect fit, keeps the scalpel strongly fixed to the handle. Both scalpels are attached with adhesive tape, that can be sterile, allowing for a stable 3 mm distance between blades. We found this handmade double-bladed scalpel especially helpful in obtaining spaghetti Mohs stages on difficult areas where maintaining a tightened skin after the first cut is not easy, although it can also be used for conventional Mohs surgery.

1. Choi KW, Lee YK, Kim YH, Lee CW, Kim KH. Surgical Tip: The Double-Bladed Scalpel in Mohs Micrographic Surgery. Ann Dermatol. 2008 Jun;20(2):86-9.
2. Arnon O, Pagkalos VA, Xanthinaki AA, Silberstein E. Double-bladed scalpel in mohs micrographic surgery. ISRN Dermatol. 2012;2012:617314.
DOI: 10.6084/m9.figshare.21493707.v3
title: The enterprise production and operation data and delayed production control data.xlsx

description: The production and operation data and delayed production control data of an iron and steel enterprise
DOI: 10.6084/m9.figshare.22672522.v1
title: Data for Ecological Applications of Zhang et al. (2023). Morphological and physiological traits of dominant plant species in response to mowing in a temperate steppe

description: All data reported in the paper of Zhang Lulu et al. (2023). Morphological and physiological traits of dominant plant species in response to mowing in a temperate steppe. Ecological Applications EAP23-0034.R1