cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/7km9wcspn3.1
title: Portable CPU implementation of Wilson, Brillouin and Susskind fermions in lattice QCD

description: A modern Fortran implementation of three Dirac operators (Wilson, Brillouin, Susskind) in lattice QCD is presented, based on OpenMP shared-memory parallelization and SIMD pragmas. The main idea is to apply a Dirac operator to N_v vectors simultaneously, to ease the memory bandwidth bottleneck. All index computations are left to the compiler and maximum weight is given to portability and flexibility. The lattice volume, N_x N_y n_z N_t, the number of colors, N_c, and the number of right-hand sides, N_v, are parameters defined at compile time. Several memory layout options are compared. The code performs well on modern many-core architectures (480 Gflop/s, 880 Gflop/s, and 780 Gflop/s with N_v = 12 for the three operators in single precision on a 72-core KNL processor, a 2 x 24-core Skylake node yields similar results). Explicit run-time tests with CG/BiCGstab inverters confirm that the memory layout is relevant for the KNL, but less so for the Skylake architecture. The ancillary code distribution contains all routines, including the single, double, and mixed precision Krylov space solvers, to render it self-contained and ready-to-use.
DOI: 10.17632/gv3m594p3x.1
title: β-TUBULIN BINDING MICROTUBULE DISSASSEMBLY INHIBITORS

description: Dataset of Computer Aided Drug Design (CADD) operations for article, titled "DRUG DESIGNING OF NOVEL β-TUBULIN BINDING MICROTUBULE DISSASSEMBLY INHIBITORS"
DOI: 10.17632/6xdf3czcts.1
title: Supplementary Materials of Petrological confirmation of lithosphere thermally eroded by asthenospheric flow beneath the NE Tibetan plateau

description: Figures S1, S2, and S3; Tables S1, S2, S3, S4, and S5; and Data source of experimental melts used in Figures 5 and 8; Pressure–depth conversion; and pertinent References.
DOI: 10.17632/gfyzfzkcyw.1
title: Impairment of antiviral immune response and disruption of cellular functions by SARS-CoV-2 ORF7a and ORF7b. García-García et al.

description: Supplementary Items (Tables S1-S4)
DOI: 10.17632/r2gyg24frj.1
title: Data for: Industrial synthesis of ammonia

description: This dataset refers to the patented methods for producing ammonia.
Searches were carried out on the Orbit Intelligence platform (FamPat database). The complete keyword and classification codes list is available in the README file.
Ammonia is commonly produced via the Haber-Bosch process, based on the reaction between hydrogen and nitrogen, mixed in a 3:1 ratio, over iron (magnetite or wustite) or ruthenium catalysts at elevated temperatures (450 – 600° C) and pressures (100 – 250 bar).
3H2 + N2 = 2NH3
Other methods include photocatalytic, electrochemical,  photo-electrochemical, and chemical looping approaches.
DOI: 10.5281/zenodo.6656149
title: Simulation input files and analysis scripts for "Small ionic radii limit time step in Martini 3molecular dynamics simulations"

description: Simulation input files and analysis scripts for "Small ionic radii limit time step in Martini 3molecular dynamics simulations". See https://aip.scitation.org/doi/10.1063/5.0095523 for details. NOTE: some combinations of settings result in simulations that crash!<br>
DOI: 10.5281/zenodo.6656148
title: Simulation input files and analysis scripts for "Small ionic radii limit time step in Martini 3molecular dynamics simulations"

description: Simulation input files and analysis scripts for "Small ionic radii limit time step in Martini 3molecular dynamics simulations". See https://aip.scitation.org/doi/10.1063/5.0095523 for details. NOTE: some combinations of settings result in simulations that crash!<br>
DOI: 10.17632/wf4g3yxvzz.1
title: Supplemental Materials for Stein Gold et al. Efficacy and Safety of Apremilast in Patients With Mild-to-Moderate Psoriasis Up to 32 Weeks: Results From the Extension Phase of the Randomized, Phase 3 ADVANCE Trial

description: Mendeley Supplemental Figures for Stein Gold et al. Efficacy and Safety of Apremilast in Patients With Mild-to-Moderate Psoriasis Up to 32 Weeks: Results From the Extension Phase of the Randomized, Phase 3 ADVANCE Trial. J Am Acad Dermatol. 2022.
DOI: 10.17632/238s947dgc.1
title: Table S1: Cost disaggregation by building component for the case study store, based on the winning contractor’s bid

description: Cost disaggregation by building component for the case study store, based on the winning contractor’s bid
DOI: 10.5281/zenodo.7199718
title: DFT run directory for H doped VO2 phases

description: VASP calculation directory for hydrogenated VO2 phases.
DOI: 10.5281/zenodo.7199717
title: DFT run directory for H doped VO2 phases

description: VASP calculation directory for hydrogenated VO2 phases.
DOI: 10.17632/ywz6dgr6rz.1
title: Isotretinoin and the risk of psychiatric disturbances - A global study shedding new light on a debatable story

description: Supplementary Table 1- Definition of study participants

Supplementary Table 2- Definition of study participants in the sensitivity analysis
DOI: 10.6084/m9.figshare.8168906
title: Increasing accessibility and inclusion in undergraduate geology labs through scenario-based TA training

description: People with disabilities are chronically underrepresented in many geoscience departments across the country. There are a number of proposed reasons why this underrepresentation persists, one of which is lack of instructor training in designing accessible curriculum and making high-quality accommodations. This not only puts students with accessibility needs at a disadvantage academically but also creates an unwelcoming environment. We determined through a broad survey of the instructors and undergraduate students that the geology department at a large research-focused university lacked sufficient instructor training on accessibility-related topics. We designed and implemented a scenario-based training at the university department scale to begin correcting the lack of training. Our training was designed for and given to teaching assistants (TAs), and we assessed the effectiveness of our training by measuring TA knowledge gain and retention throughout the fall 2017 semester; comparing the number of students approaching TAs with accessibility needs in the training year to years prior to the training; and gauging undergraduate feelings of inclusion throughout semester via a series of minute-paper style surveys. Our results show an increased baseline understanding of universal design and semester-long retention of that knowledge. The number of students approaching TAs with accessibility needs increased compared to years prior to the training, and undergraduates reported overall feeling that their TAs had a genuine interest in their learning as individuals. We conclude that our results merit the inclusion of an accessibility focused TA training in the annual training schedule.
DOI: 10.6084/m9.figshare.8168906.v2
title: Increasing accessibility and inclusion in undergraduate geology labs through scenario-based TA training

description: People with disabilities are chronically underrepresented in many geoscience departments across the country. There are a number of proposed reasons why this underrepresentation persists, one of which is lack of instructor training in designing accessible curriculum and making high-quality accommodations. This not only puts students with accessibility needs at a disadvantage academically but also creates an unwelcoming environment. We determined through a broad survey of the instructors and undergraduate students that the geology department at a large research-focused university lacked sufficient instructor training on accessibility-related topics. We designed and implemented a scenario-based training at the university department scale to begin correcting the lack of training. Our training was designed for and given to teaching assistants (TAs), and we assessed the effectiveness of our training by measuring TA knowledge gain and retention throughout the fall 2017 semester; comparing the number of students approaching TAs with accessibility needs in the training year to years prior to the training; and gauging undergraduate feelings of inclusion throughout semester via a series of minute-paper style surveys. Our results show an increased baseline understanding of universal design and semester-long retention of that knowledge. The number of students approaching TAs with accessibility needs increased compared to years prior to the training, and undergraduates reported overall feeling that their TAs had a genuine interest in their learning as individuals. We conclude that our results merit the inclusion of an accessibility focused TA training in the annual training schedule.
DOI: 10.6084/m9.figshare.9206402
title: Challenges and approaches for creating inclusive field courses for students with an autism spectrum disorder

description: There has been little discussion regarding the design of geology courses (and programs) to be inclusive of students with an autism spectrum disorder (ASD). Here, we outline challenges instructors may encounter when teaching geology courses with field components that include students with an ASD and describe solutions we have found to be successful in creating effective learning environments. Our solutions center around (a) early and continual communication with the students and their support networks about upcoming course experiences and expectations, (b) clearly articulated and defined assignments, (c) creation of a steady and established learning environment, and (d) understanding and patience from course leaders and others involved in the class. Implementing these components will help improve the chances of success for all students in a course, regardless if they have an ASD. Ultimately, we encourage an ongoing conversation on how to best serve this growing segment of the college student population.
DOI: 10.6084/m9.figshare.9206402.v2
title: Challenges and approaches for creating inclusive field courses for students with an autism spectrum disorder

description: There has been little discussion regarding the design of geology courses (and programs) to be inclusive of students with an autism spectrum disorder (ASD). Here, we outline challenges instructors may encounter when teaching geology courses with field components that include students with an ASD and describe solutions we have found to be successful in creating effective learning environments. Our solutions center around (a) early and continual communication with the students and their support networks about upcoming course experiences and expectations, (b) clearly articulated and defined assignments, (c) creation of a steady and established learning environment, and (d) understanding and patience from course leaders and others involved in the class. Implementing these components will help improve the chances of success for all students in a course, regardless if they have an ASD. Ultimately, we encourage an ongoing conversation on how to best serve this growing segment of the college student population.
DOI: 10.6084/m9.figshare.8168906.v1
title: Increasing accessibility and inclusion in undergraduate geology labs through scenario-based TA training

description: People with disabilities are chronically underrepresented in many geoscience departments across the country. There are a number of proposed reasons why this underrepresentation persists, one of which is lack of instructor training in designing accessible curriculum and making high-quality accommodations. This not only puts students with accessibility needs at a disadvantage academically but also creates an unwelcoming environment. We determined through a broad survey of the instructors and undergraduate students that the geology department at a large research-focused university lacked sufficient instructor training on accessibility-related topics. We designed and implemented a scenario-based training at the university department scale to begin correcting the lack of training. Our training was designed for and given to teaching assistants (TAs), and we assessed the effectiveness of our training by measuring TA knowledge gain and retention throughout the fall 2017 semester; comparing the number of students approaching TAs with accessibility needs in the training year to years prior to the training; and gauging undergraduate feelings of inclusion throughout semester via a series of minute-paper style surveys. Our results show an increased baseline understanding of universal design and semester-long retention of that knowledge. The number of students approaching TAs with accessibility needs increased compared to years prior to the training, and undergraduates reported overall feeling that their TAs had a genuine interest in their learning as individuals. We conclude that our results merit the inclusion of an accessibility focused TA training in the annual training schedule.
DOI: 10.6084/m9.figshare.8269781
title: Developing scientists as champions of diversity to transform the geosciences

description: To address complex geoscience questions, communities with a variety of experiences and perspectives are needed in local workplaces and institutions across academia and government. To achieve this goal, geoscience needs leaders who are champions of diversity and who have positive attitudes toward others and act upon these attitudes to become change agents in advancing diversity and creating inclusive environments. We established a professional development workshop, Geo Opportunities for Leadership in Diversity (GOLD) Institutes, to provide geoscience leaders with the tools and skills necessary to be self-reflective of their own ideas and to promote diversity, equity, and inclusion in their respective institutions. Our objective was to equip senior geoscientists, who are at the core of local communities of practice (CoPs), with knowledge of diversity, equity, and inclusion theories and practices to lead change across the discipline. In this preliminary report, we investigate institute participants’ perceptions of <i>allophilia</i> (love of the other) and identify actions taken by senior geoscientists to promote diversity, equity, and inclusion within local CoPs. Results indicate that senior geoscientists who participated in the institute had high scores on the allophilia scale and took steps to integrate diversity, equity, and inclusion into their day-to-day activities, and in a few cases created new workplace support structures for diversity and inclusion. Future work will build on these results by refining professional development opportunities that target the needs of geoscience champions of diversity.
DOI: 10.6084/m9.figshare.9206402.v1
title: Challenges and approaches for creating inclusive field courses for students with an autism spectrum disorder

description: There has been little discussion regarding the design of geology courses (and programs) to be inclusive of students with an autism spectrum disorder (ASD). Here, we outline challenges instructors may encounter when teaching geology courses with field components that include students with an ASD and describe solutions we have found to be successful in creating effective learning environments. Our solutions center around (a) early and continual communication with the students and their support networks about upcoming course experiences and expectations, (b) clearly articulated and defined assignments, (c) creation of a steady and established learning environment, and (d) understanding and patience from course leaders and others involved in the class. Implementing these components will help improve the chances of success for all students in a course, regardless if they have an ASD. Ultimately, we encourage an ongoing conversation on how to best serve this growing segment of the college student population.
DOI: 10.6084/m9.figshare.8269781.v1
title: Developing scientists as champions of diversity to transform the geosciences

description: To address complex geoscience questions, communities with a variety of experiences and perspectives are needed in local workplaces and institutions across academia and government. To achieve this goal, geoscience needs leaders who are champions of diversity and who have positive attitudes toward others and act upon these attitudes to become change agents in advancing diversity and creating inclusive environments. We established a professional development workshop, Geo Opportunities for Leadership in Diversity (GOLD) Institutes, to provide geoscience leaders with the tools and skills necessary to be self-reflective of their own ideas and to promote diversity, equity, and inclusion in their respective institutions. Our objective was to equip senior geoscientists, who are at the core of local communities of practice (CoPs), with knowledge of diversity, equity, and inclusion theories and practices to lead change across the discipline. In this preliminary report, we investigate institute participants’ perceptions of <i>allophilia</i> (love of the other) and identify actions taken by senior geoscientists to promote diversity, equity, and inclusion within local CoPs. Results indicate that senior geoscientists who participated in the institute had high scores on the allophilia scale and took steps to integrate diversity, equity, and inclusion into their day-to-day activities, and in a few cases created new workplace support structures for diversity and inclusion. Future work will build on these results by refining professional development opportunities that target the needs of geoscience champions of diversity.
DOI: 10.17632/7kxs5bw6vh.1
title: China A&B share index Data

description: This data is collected from the Joint Quant Research Center. And it's China A & B share intex data.
DOI: 10.17632/xwy9djwnh4.1
title: When business processes meet complex events in logistics: A systematic mapping study

description: These are the data sources for our mapping study. They are distributed in diferent folders
* results: contains the StArt database, the report generated by the StArt tool, and some Excel files with data that have been collected manually or automatically.
* searches: Contains the BibTex and/or RIS files with the results of the searches executed in the different digital libraries. It also contains the files corresponding to the backward snowballing process.
* selected-studies: Contains the BibTeX files corresponding to the selected primary studies we have used as sources for our mapping study.
DOI: 10.17632/xwy9djwnh4.2
title: When business processes meet complex events in logistics: A systematic mapping study

description: These are the data sources for our mapping study. They are distributed in diferent folders
* results: contains the StArt database, the report generated by the StArt tool, and some Excel files with data that have been collected manually or automatically.
* searches: Contains the BibTex and/or RIS files with the results of the searches executed in the different digital libraries. It also contains the files corresponding to the backward snowballing process.
* selected-studies: Contains the BibTeX files corresponding to the selected primary studies we have used as sources for our mapping study.
DOI: 10.17632/8d3973kgb3.1
title: Antioxidant capacity and release kinetics of active film based on sodium caseinate and gallic acid 

description: In this study, sodium caseinate film was developed through solution casting method. Release kinetics of gallic acid was elucidated into the food simulant (95% ethanol). The IC50 of gallic acid in terms of DPPH radical scavenging activity was observed to be 30.67 µg/ml, whereas the maximum radical scavenging activity was observed to be ~57%. Furthermore, approximately 26% of the gallic acid was released from the packaging into the simulant. A mathematical model was used to describe the diffusion of gallic acid from the packaging material, which will provide essential information on developing packaging materials based on sodium caseinate to reach the best engineering solution by keeping in view the regulatory constraints on the leeching phenomenon.
DOI: 10.17632/dwsnvyfds9.1
title: BATA vs MBCT (Pre-COVID) SHAPS/Homework Outcomes

description: This is an interim dataset from a clinical trial comparing two psychotherapies for individuals with clinically significant anhedonia. All data were collected prior to disruptions caused by the COVID-19 pandemic (which triggered protocol changes from in-person delivery of psychotherapy to teletherapy). The clinical symptom outcome measure is the Snaith Hamilton Pleasure Scale (SHAPS), a 14-item self-report instrument assessing consummatory reward sensitivity, which was administered at each session therapy session for up to 15 sessions. Variable definitions are provided in the first tab of the Excel spreadsheet. For more study details please refer to ClinicalTrials.gov identifiers NCT02874534 and NCT04036136.
DOI: 10.17632/dwsnvyfds9.2
title: BATA vs MBCT SHAPS & Homework Outcomes

description: This is an interim dataset from a clinical trial comparing two psychotherapies for individuals with clinically significant anhedonia. All data were collected prior to disruptions caused by the COVID-19 pandemic (which triggered protocol changes from in-person delivery of psychotherapy to teletherapy). The clinical symptom outcome measure is the Snaith Hamilton Pleasure Scale (SHAPS), a 14-item self-report instrument assessing consummatory reward sensitivity, which was administered at each session therapy session for up to 15 sessions. Variable definitions are provided in the first tab of the Excel spreadsheet. For more study details please refer to ClinicalTrials.gov identifiers NCT02874534 and NCT04036136.
DOI: 10.17632/dcs4m6td2h.1
title: Physical properties and antimicrobial activity of bioactive film based on whey protein and Lactobacillus curvatus 54M16 producer of bacteriocins

description: The objective of the work was to study the viability and antimicrobial activity of bacteriocin-producing lactic acid bacteria (LAB) incorporated into whey protein/inulin/gelatine (WP) edible films in presence or absence of nutrient (modified MRS broth). Moreover, the role of the cell on the film structure and properties has been investigated. The results of the work showed that WP-based films were able to ensure a high viability of the bacteriocin-producing strain L. curvatus 54M16 during 28 days of storage at 4°C. The addition of nutrient in the film matrix slightly affected the viability of the cells, but it was critical for the antimicrobial activity of the films. Films in presence of nutrient showed a good antimicrobial activity against L. innocua C6 as in vitro system as on cooked ham. The presence of LAB has a significant effect on the structure of the film: it reduced the viscosity of the film forming solution and improved the elasticity and the percentage of elongation. Whereas, no effect was observed for water vapour transmission rate and solubility.  Thus, WP-based films in presence of modified MRS broth can be used as effective delivery and carrier systems for lactic acid bacteria to develop bioactive edible film or coating with antimicrobial properties.