cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/g399b3xyfy.1
title: Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software

description: The material space for catalyst discovery is expansive. Volcano curves are traditionally employed to provide physical insights into optimal catalyst characteristics for new material selection. Their generation lies on a single descriptor picked using expert knowledge. Here we present DescMAP, a Python-based software, to automate the selection of descriptors, the generation of volcano maps, and the identification of active sites for structure-sensitive reactions. We consider traditional energy-based and geometric descriptors for structure-sensitive reactions. DescMAP is integrated with the Virtual Kinetic Laboratory (VLab) to provide multiple functionalities. It inputs spreadsheets or template files for flexibility and outputs interactive graphs for post-processing. We demonstrate its features using the non-oxidative dehydrogenation of ethane to ethylene over (111) closed-packed surfaces and the methane total oxidation over various Pt facets. It can be easily applied to other complex chemistries and achieves quick screening of potential catalysts.
DOI: 10.17632/gjwc474trj.1
title: Diseño y Formulacion de Alimentos

description: Esta data hace parte del trabajo de investigación para el curso de diseño y formulación de alimentos de la universidad de antioquia
DOI: 10.17632/j8jts4hjb4.1
title: Well-Being Manifestation Measure Scale in French Health Students

description: The research project was devoted to an analysis of the strcutural invariance properties of the WBMMS scale in health students in considering their curriculum and their sex assigned at birth
DOI: 10.17632/p73b8byghp.1
title: Healthy-Defective-Fruits

description: Dataset Apples Images
The developed data set consists of 5,000 real and synthetic images of fresh apples, and 5,000 real and synthetic images of apples with defects.

Dataset Mangoes Images
The developed data set consists of 5,000 real and synthetic images of fresh mangoes, and 5,000 real and synthetic images of mangoes with defects.
DOI: 10.17632/66kjghpjgy.1
title: Banana Ripeness Images Datasets

description: Real Dataset Banana Images
The real dataset developed consists of 3,495 images of Cavendish bananas.

Synthetic Dataset Banana Images
The synthetic dataset developed consists of 161,280 images of Cavendish bananas.
DOI: 10.17632/nygpg3nzwy.1
title: ergonomics

description: Ejemplo de data set para curso de redacción de artículo científico
DOI: 10.17632/xvmptnn2sz.1
title: Help-seeking behavior in Adolescents

description: This data set contains raw data related to the correlation between familiar cohesion and help-seeking behavior in peruvian adolescents from a public university in Peru.
DOI: 10.17632/xvmptnn2sz.2
title: Help-seeking intentions in Adolescents

description: This data set contains raw data related to the correlation between familiar cohesion and help-seeking intentions in peruvian adolescents from a public university in Peru.
DOI: 10.17632/xvmptnn2sz.3
title: Help-seeking intentions in Adolescents

description: This data set contains raw data related to the correlation between familiar cohesion and help-seeking intentions in peruvian adolescents from a public university in Peru.
DOI: 10.17632/bg2nf5fx2d.1
title: Determinants of entrepreneur satisfaction: the role of psychological well-being and entrepreneurship orientation

description: Sample of 180 entrepreneurs who founded or inherited a private Spanish company more than four years ago, which was active in 2020 and employed more than 10 and less than 50 employees. Measures: Entrepreneurial orientation, Entrepreneur satisfaction, Emotional Exhaustion, Psychological Well-being, Work-family fit.
DOI: 10.17632/bg2nf5fx2d.2
title: Determinants of entrepreneur satisfaction: the role of psychological well-being and entrepreneurship orientation

description: Sample of 180 entrepreneurs who founded or inherited a private Spanish company more than four years ago, which was active in 2020 and employed more than 10 and less than 50 employees. Measures: Entrepreneurial orientation, Entrepreneur satisfaction, Emotional Exhaustion, Psychological Well-being, Work-family fit.
DOI: 10.17632/6ys42f257h.1
title: Evolution of PE Online During COVID

description: Interview Transcripts for OLPE project
DOI: 10.17632/hftrsksh76.1
title: EMG ACTIVITY OF ACCESSORY MUSCLES OF RESPIRATION AND PFT PARAMETERS OF POST-MASTECTOMY PATIENTS

description: Background and purpose: Breast cancer is one of the most prevalent type of cancer and most frequent in females with 2.09 million of cases. This study aimed to investigate the changes in normal pulmonary functions in post-mastectomy patients and the usage of accessory muscles for respiration as compared to normal individuals.
DOI: 10.17632/f8xtbsfygb.1
title: IMTB model

description: IMTB model
1. Code (Fortran)
2. Results (EXCEL)

Developer:
1.Mahdi Afzalian
2.Seyyed Alireza Zolfaghari
DOI: 10.17632/y4ckb287gc.1
title: Supplemental Material for ""Shedding' Low Yield Testing for Telogen Effluvium: A Cross-Sectional Study of 16,381 Laboratory Results from Newly Diagnosed Patients"

description: Supplemental Material for "Testing for Telogen Effluvium: A Cross-Sectional Study"
DOI: 10.6084/m9.figshare.23089457
title: Supplementary Material for: The introduction of an MR-conditional prototype for cardiopulmonary bypass support – technical aspects and system requirements

description: Abstract Introduction: The use of cardiopulmonary bypass (CBP; also known as a heart-lung machine) in newborns with complex congenital heart defects may result in brain damage. Magnetic resonance imaging (MRI) assessments cannot be performed safely because the metal components used to construct CBP devices may elicit adverse effects on patients when they are placed in a magnetic field. Thus, this project aimed to develop a prototype MR-conditional circulatory support system that could be used to perform cerebral perfusion studies in animal models. Methods: The circulatory support device includes a roller pump with two rollers. The ferromagnetic and most of the metal components of the roller pump were modified or replaced and the drive was exchanged by an air-pressure motor. All materials used to develop the prototype device were tested in the magnetic field according to the American Society for Testing and Materials (ASTM) Standard F2503-13. The technical performance parameters, including runtime/durability as well as achievable speed and pulsation behavior, were evaluated and compared to standard requirements. The behavior of the prototype device was compared with a commercially available pump. Results: The MRI-conditional pump system produced no image artifacts and could be safely operated in the presence of the magnetic field. The system exhibited minor performance-related differences when compared to a standard CPB pump, feature testing revealed that the prototype meets the requirements (i.e., operability, controllability, and flow range) needed to proceed with the planned animal studies.
DOI: 10.6084/m9.figshare.23089457.v1
title: Supplementary Material for: The introduction of an MR-conditional prototype for cardiopulmonary bypass support – technical aspects and system requirements

description: Abstract Introduction: The use of cardiopulmonary bypass (CBP; also known as a heart-lung machine) in newborns with complex congenital heart defects may result in brain damage. Magnetic resonance imaging (MRI) assessments cannot be performed safely because the metal components used to construct CBP devices may elicit adverse effects on patients when they are placed in a magnetic field. Thus, this project aimed to develop a prototype MR-conditional circulatory support system that could be used to perform cerebral perfusion studies in animal models. Methods: The circulatory support device includes a roller pump with two rollers. The ferromagnetic and most of the metal components of the roller pump were modified or replaced and the drive was exchanged by an air-pressure motor. All materials used to develop the prototype device were tested in the magnetic field according to the American Society for Testing and Materials (ASTM) Standard F2503-13. The technical performance parameters, including runtime/durability as well as achievable speed and pulsation behavior, were evaluated and compared to standard requirements. The behavior of the prototype device was compared with a commercially available pump. Results: The MRI-conditional pump system produced no image artifacts and could be safely operated in the presence of the magnetic field. The system exhibited minor performance-related differences when compared to a standard CPB pump, feature testing revealed that the prototype meets the requirements (i.e., operability, controllability, and flow range) needed to proceed with the planned animal studies.
DOI: 10.15151/esrf-es-1058387059
title: Structure of metalloproteins, membrane proteins, filamentous sarcomer proteins, and virus particles

description: Our work focusses on biological nitrogen fixation by Nitrogenase, on metalloenzymes and integral membrane proteins of bacterial and archaeal respiratory systems (Andrade/Einsle/Wohlwend), the working mechanism and regulation of medically relevant membrane proteins and complexes and their defects leading to pathologies (Hunte), bacterial antibiotic resistance factors and viral and bacterial proteins bound to their targets or inhibitors, and their interactions with glycans (Stehle), human S100 proteins involved in nutritional immunity, USP18 enforcing the endogenous antiviral interferon response, and the respiratory complex NQR of V. cholerae (Fritz), LDL lipoprotein particles with low resolution data collection and phasing to find envelopes of parts of membrane proteins escaping conventional methods (Baumstark/Lunin), and on multi-domain components of the sarcomeric filamentous protein titin and their binding to the E3 ubiquitin ligase MuRF1 and the central myosin rod-domain (Mayans).
DOI: 10.15151/esrf-es-1059610146
title: Advanced Photon Source, Sector 21 - The Life Sciences Collaborative Access Team (LS-CAT) - CAT Member Macromolecular Crystallography

description: The Life Sciences Collaborative Access Team (LS-CAT) provides Macromolecular Crystallography support to our CAT members from eight Universities in the USA, including Northwestern University, University of Michigan, Wayne State University, Michigan State University, University Wisconsin, Vanderbilt University, and University of Illinois at Chicago, and also to General Users. With a one-year dark period approaching for the upgrade of the Advanced Photon Source (APS-U), we are seeking beam time for our CAT Member laboratories at ESRF by way of this Block Allocation Group, consisting of a portion of our CAT Member PIs and their laboratory members, in order to keep supporting their research and future funding. LS-CAT is organizing our CAT Members into this BAG Proposal, and other proposals we will submit, in order to streamline the process for our CAT Members, and for the Staff of Lightsources to which we are applying for access to beam time.
DOI: 10.15151/esrf-es-1078539330
title: Paris Rive-Gauche BAG: from structure to drug design

description: Our BAG was created in 2006 to federate well-established structural biology laboratories from south Paris. At present, several projects are investigated by different teams from 5 Institutes: (1) I2BC (Institut de Biologie Inte#grative de la Cellule), (2) IBPC (Institut de Biologie Physico-Chimique), (3) INSERM (Institut National de la Sante# et de la Recherche Me#dicale), (4) LBPA (Laboratoire de Biologie et Pharmacologie Applique#e) and (5) CiTCoM (CiblesTherapeutiques et Conception de Medicaments, ex-name LCRB). Our research area focuses on many important biological systems involved in human pathology or infectious diseases, including molecular chaperones, DNA recombination, RNA maturation, ribosome biogenesis, telomerase assembly, bacterial toxins, malaria disease, neurodegenerative disease, drugs resistance and cell-signalling.
DOI: 10.15151/esrf-es-1209951777
title: Quantum chips characterization

description: We will be measuring X-ray reflectivity and other scattering techniques available at the beamline, of various samples that have quantum applications. These sample consist of stacked films with different thickness on Si substrate. We will be using new lenses of ID31 to achieve submicron beamsize. With this capability, we hope to determine the precise thickness and more importantly, the roughness and structure of the different interfaces.
DOI: 10.15151/esrf-es-1208718333
title: XMCD in Fe pnictide thin films

description: XMCD in Fe pnictide thin films
DOI: 10.5281/zenodo.7956484
title: PTUA

description: A Large-Scale, First of its kind Dataset, and Benchmark for Person Tracking in the presence of highly similar appearing distractors.
DOI: 10.5281/zenodo.7956483
title: PTUA

description: A Large-Scale, First of its kind Dataset, and Benchmark for Person Tracking in the presence of highly similar appearing distractors.
DOI: 10.17632/3r7kmfmpyj.1
title: 31P MRS MT Participants 1-10

description: 31P Magnetisation Transfer MRS on subjects 1-10 (aged 60+) before and after photobiomodulation treatment  (670nm)

Mitochondrial function declines with age and many pathological processes of neurodegenerative diseases stem from this dysfunction when mitochondria fail to produce the necessary energy required. Photobiomodulation (PBM), long-wavelength light therapy, has been shown to rescue mitochondrial function in animal models and improve human health, but clinical uptake is limited due to uncertainty around efficacy and the mechanisms responsible. Through combined theoretical Monte Carlo light modelling and practical 31P Magnetisation Transfer Magnetic Resonance Spectroscopy (MT-MRS) we quantify, for the first time, the effects of 670 nm PBM treatment on healthy aging human brains. 31P MT-MRS revealed a significant increase in the rate of ATP flux after PBM in a sample of older adults. Light modelling shows 1% absorption in grey matter and confirms absorption peaks at 670 and 820 nm.   Our study provides evidence of PBM therapeutic efficacy and strengthens confidence in PBM as an acceptable healthcare technology to improve mitochondrial function and human health.

Patients 1-10 Pre Photobiomodulation MRS assessment and Post Photobiomodulation MRS assessment

31P FID
31P Magnetisation Transfer Magnetic Resonance Spectroscopy (different saturation times)
T2 Localizer 
1H Mega Press
DOI: 10.17632/vkcnb3rrw6.1
title: Study of "Multi-omics analysis reveals distinct non-reversion mechanisms of PARPi resistance in BRCA1- versus BRCA2-deficient mammary tumors". Bhin et al

description: Raw data required by Cell Reports data archiving and data transparency initiative
DOI: 10.17632/jzyp2w6hzt.1
title: Source data for "Periodicity, Mixed-Mode Oscillations, and Multiple Timescale in a phosphoinositide-Rho GTPase Network

description: Source data for the plots made in "Periodicity, Mixed-Mode Oscillations, and Multiple Timescale in a phosphoinositide-Rho GTPase Network.
DOI: 10.17632/s2rhn48359.1
title: SUPPLEMENTARY MATERIAL

description: SUPPLEMENTARY MATERIAL
To
Differential scanning calorimetry as a tool to assess the oxidation state of cold-pressed oils during shelf-life 
Mahbuba Islama, Anna Kaczmareka, Jolanta Tomaszewska-Grasa*
a Department of Food Safety and Quality Management, Poznań University of Life Sciences, ul. Wojska Polskiego 31/33, 60-637 Poznań, Poland
mahbuba.islam@up.poznan.pl, ORCID: 0000-0003-1860-3718; anna.kaczmarek@up.poznan.pl, ORCID: 0000-0001-7888-0026
*Corresponding author: e-mail: jolanta.tomaszewska-gras@up.poznan.pl, ORCID: 0000-0003-3964-8093
DOI: 10.17632/fwc7mzzx96.1
title: Predictors of Palliative Care Receipt in Merkel Cell Carcinoma - Tables 1 and 2

description: Table 1. Sample demographics and univariate comparison of patients with metastatic Merkel cell carcinoma receiving palliative therapy.

Table 2. Multivariable logistic regression model for patients with metastatic Merkel cell carcinoma receiving palliative therapy.
DOI: 10.17632/s46vfz2x42.1
title: Federal/National Protected areas data DRC, RDA, UG, and USA

description: Federal/National Protected Areas data DRC, RDA, UG, and USA contains data on conservation policy statements, managing institutions, and PAs network in the four countries the Democratic Republic of Congo, Rwanda, Uganda, and the United States of America.
DOI: 10.17632/m2b9wyc2hk.1
title: Characteristics, indicators and hospital admissions of the SUS hospital network in 2019

description: The database was developed by pairing two national public databases made available by the Brazilian Ministry of Health, from the information systems: CNES (National Register of Health Establishments) and SIH (Hospital Information System). The database contains information about Brazilian hospitals, including their basic identification, their characteristics, structure of services, professionals and hospital beds, as well as a set of data that characterize their hospital admissions. This research database contains 64 variables about the 4,449 hospitals that provided services to the SUS in 2019.
DOI: 10.17632/jpjtv59msx.1
title: Patient experience survey on FCV

description: Patient experience survey
DOI: 10.17632/8sfrfgpnhw.1
title: Applied Mathematics

description: This data set is divided into two sets, the first set is related to my PhD research project and post PhD to share the interaction of the predator-prey models in mathematical biology. which is based on the population dynamics of the plankton model. The second set will be focused on neural networks and machine learning, which is the extension of the ODE's models, I will keep my research main target on population dynamics during this year but will use healthcare systems instead of microbiological food chain models. The next set is a surprise and will share its details as soon as I draft the article with my collaborators.
DOI: 10.17632/448zhfvrm7.1
title: [Dataset] Do System Quality and Information Quality affect Job Performance

description: This dataset is the result of a survey of 118 correctional officers at Sumatra Region, Indonesia. This dataset includes five research variables consisting of System Quality (SQ), Information Quality (IQ), Perceived Ease of Use (PEOU), Perceived Usefulness (PU), Job Performance (JP).
DOI: 10.17632/448zhfvrm7.2
title: [Dataset] Do System Quality and Information Quality affect Job Performance

description: This dataset is the result of a survey of 118 correctional officers at Sumatra Region, Indonesia. This dataset includes five research variables consisting of System Quality (SQ), Information Quality (IQ), Perceived Ease of Use (PEOU), Perceived Usefulness (PU), Job Performance (JP).
DOI: 10.17632/phktv39dbn.1
title: Retirement anxiety

description: Using a cross-sectional survey method, a total of 306 non-teaching staff were conveniently selected from four universities (two public and private universities) in two States (Ogun and Lagos) in Southwestern Nigeria. Participants completed the Redeemer’s University Retirement Anxiety Scale (RURAS) and Satisfaction with Life Scale and a socio-demographic form. Data were analysed using descriptive and inferential statistics. The findings showed that sociodemographic and life satisfaction significantly determine retirement anxiety by accounting for statistically significant 47% variation [R2= .47]. Socio-demographic characteristics contributed about 34% changes [R2= .34] while life satisfaction accounted a significant 13% changes (ΔR2= .13) in retirement anxiety.  Significant sex differences were observed in the score of retirement anxiety among the participants.
DOI: 10.17632/t4v46m84tb.1
title: Pore Formation Driven by Particle Impact in Laser, Powder-blown Directed Energy Deposition

description: This data set contains in-situ highspeed, X-ray images and X-ray computed tomography (XCT) data sets of laser, powder-blown directed energy deposition (DED). The experiments were performed at 32-ID at the Advanced Photon Source, and samples were analyzed afterwards using a Zeiss Xradia Versa XRM-500  XCT machine. For XCT, the X-ray source and detector distances were chosen such that the voxel edge length was 1.90 ± 0.04 µm. For highspeed X-ray images, the images were taken at 30000 fps with an exposure time of 12 μs. The field of view in this study is approximately 2 mm by 2 mm with a pixel size of 1.9 μm; the captured images are 1024 x 688 pixels. The data were analyzed and used to show a unique pore formation mechanism in laser, powder-blown DED.
DOI: 10.34740/kaggle/dsv/5750512
title: Elon Musk Tweets
DOI: 10.6084/m9.figshare.22954028.v1
title: Efficient and Perfectly Vertical Binary Blazed Grating Coupler with Slit

description: Experimental data from "Efficient and Perfectly Vertical Binary Blazed Grating Coupler with Slit". Abstract: Eigenmode expansion method is applied to discretize the stepped shine grating into a binary shine grating. Various strategies to increase the directionality of the coupling efficiency have been optimized and replicated using this binary shining grating. We discussed and analyzed the impact of distributed Bragg reflectors, slits, and metal reflectors on the coupling efficiency of grating couplers. A metal reflector and slit were included in the design of a binary shine grating coupler. The coupling efficiency from fiber to waveguide for vertically incident electrically polarized light is 75.07\% at 1600 nm. A 2.22 dB bandwidth of 52 nm from 1566 nm to 1618 nm is obtained. The research further demonstrates that the 1.55 dB bandwidth is 30 nm.
DOI: 10.6084/m9.figshare.22818197.v1
title: Comparison of traditional and novel tip-flexible suctioning ureteral access sheath combined with flexible ureteroscope to treat unilateral renal calculi

description: The preoperative demographic characteristics and baseline data of the two groups were collected, including age, gender, comorbidities, American Society of Anesthesiologists (ASA) score, body mass index (BMI), surgical side, ipsilateral surgical history, midstream urine culture results, stone parameters, hydronephrosis and preoperative ureteral stent placement. The operation time, SFR, blood loss, stone composition, complications and hospitalization after operation were compared between the two groups.
DOI: 10.6084/m9.figshare.22954028
title: Efficient and Perfectly Vertical Binary Blazed Grating Coupler with Slit

description: Experimental data from "Efficient and Perfectly Vertical Binary Blazed Grating Coupler with Slit". Abstract: Eigenmode expansion method is applied to discretize the stepped shine grating into a binary shine grating. Various strategies to increase the directionality of the coupling efficiency have been optimized and replicated using this binary shining grating. We discussed and analyzed the impact of distributed Bragg reflectors, slits, and metal reflectors on the coupling efficiency of grating couplers. A metal reflector and slit were included in the design of a binary shine grating coupler. The coupling efficiency from fiber to waveguide for vertically incident electrically polarized light is 75.07\% at 1600 nm. A 2.22 dB bandwidth of 52 nm from 1566 nm to 1618 nm is obtained. The research further demonstrates that the 1.55 dB bandwidth is 30 nm.
DOI: 10.6084/m9.figshare.23065523
title: Potato weight raw data pertaining to evaluation of <em>Metarhizium brunneum </em>and <em>Metarhizium</em>-Derived VOCs as wireworm control agents in field study

description: Data comprises individually weighed potatoes harvested from a field containing individual 4 m subplots each containing two furrows. Two subplots were used for each treatment, each given a block number and damage was scored for each potato (1= one wireworm attack damage, 2 = multiple wireworm attack damages, 0 = no wireworm attack damage