cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/p3d2xtfgcn.3
title: Dataset of "Augmented Magnetic Response and Spin-Transfer in Copper Corrole/Graphene Hybrids: A DFT Study"

description: This dataset is related to extended research of the stability of hybrid materials based on copper corroles and graphene nanosheet as a platform. This dataset contains a summary of main results based on Density Functional Theory calculations. This dataset includes:
(1) Optimized geometries: the molecular geometry of isolated corroles and corrole/graphene hybrids is described in their cartesian coordinates.
(2) Atom in Molecules analysis: output files of atoms-in-molecules analysis corroborating the Poincare-Hopf relation. Besides, the density of the bond critical points density for intermolecular interactions was included to characterize the nature of the chemical bonds.
(3) Independent Gradient Model (IGM) Surfaces: Intermolecular interactions between copper-corroles and graphene were characterized by IGM surfaces (cube file format).
(4) Corresponding Magnetic Orbitals: Magnetic orbitals for hybrid and isolated systems are included.
The results describe the stabilization of copper-corroles adsorbed onto graphene nanosheet, demonstrating a high affinity with this platform. Furthermore, atoms-in-molecules analysis display the density of bond critical-points as a descriptor of the chemical nature of intermolecular interactions. The results indicate that N-Cu bonds are coordinated bonds, most of the intermolecular C-C interactions are weak electrostatic/dispersion interactions, and C-F intermolecular interactions are highly polarized in nature. Moreover, intermolecular IGM surfaces are presented as cube files (dg_inter.cub and dg_intra.cub, respectively) to describe the dispersive interaction between copper-corrole and graphene platform, intra- and. Moreover, corresponding magnetic orbital surfaces were included. Finally, the current dataset is addressed to contain relevant supplementary information for other research in the fields of chemistry, materials science, sensors, catalysis, optics, among others.
Acknowledgements
Authors acknowledge the ECOS Sud-Chile project No. C19E07 supported by the Chilean Comisión Nacional de Investigación Científica y Tecnológica (CONICYT), the French Ministère de l’Enseignement Supérieur, de la Recherche et de l’Innovation (MESRI) and the French Ministère de l’Europe et des Affaires Étrangères (MEAE). L. S. Acknowledge to Fondecyt Iniciación N° 11181187. P.D. acknowledges to FONDECYT 1201173. D.C-A thanks the financial support of the ANID FONDECYT/Regular #1210355 and ANID/FONDEQUIP EQM180180. Project supported by the Fund of Scientific and Technological Equipment, year 2018, code L318-04, Universidad Tecnológica Metropolitana. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). K.W-A acknowledges the financial support of ANID/FONDECYT Postdoctorado project # 3200270.
There are no competing interests to declare by the authors of this article.
DOI: 10.17632/p3d2xtfgcn.1
title: Copper-corroles/graphene hybrids: Stability, electronic properties, and magnetism

description: A extended research of the stability of hybrid materials based on copper corroles and graphene nanosheet as platform. The current dataset contains a set of computational results based on Density Funtional Theory, which are oriented to contribute to further researches. The dataset includes:
(1) Optimized geometries: the molecular geometry of isolated and corrole/graphene hybrid complexes are described in their cartesian coordinates.
(2) Atom in Molecules analysis: output files of atoms-in-moelcules analysis corroborating the Poincare-Hopf relation. Besides, the density of the bond critical points density for intermolecular interaction were included to characterize the nature of the chemical bonds.   
(3) IGM Surfaces: Intermolecular interactions between copper-corroles and graphene are characterized by density surfaces. 
(4) Magnetic Properties:  Magnetic model results are included for hybrid and isolated systems.
The results describe the stabilization of copper corroles adsorbed onto graphene nanosheet demostrating the high affinity with this platform. Atoms in molecules analysis displays the density of bond critical points as  descriptor of chemical nature of intermolecular interactions. The results indicate that N-Cu bonds are coordinated bonds, most of intermolecular C-C interactions are weak electrostatic/dispersion interactions, and C-F intermolecular in interactions have highly polarized in nature. To describe the dispersive interaction between copper-corrole and graphene platform, intra- and intermolecular IGM surfaces are presented as cube files (dg_inter.cub and dg_intra.cub, respectively). Moreover, magnetic properties processing is included as a worksjeet in excel format. Finally, the current dataset is addresed to contain relevant information (also for supporting information) about a scientific research; besides, this dataset is available to develop further scientific research in the fields of chemistry, materials, sensors, catalysis, among others.  
Acknowledgements 
Authors acknowledge the ECOS Sud-Chile project No. C19E07 supported by the Chilean Comisión Nacional de Investigación Científica y Tecnológica (CONICYT), the French Ministère de l’Enseignement Supérieur, de la Recherche et de l’Innovation (MESRI) and the French Ministère de l’Europe et des Affaires Étrangères (MEAE). L. S. Acknowledge to Fondecyt Iniciación N° 11181187. P.D. acknowledges to FONDECYT 1201173. D.C-A thanks the financial support of the ANID FONDECYT/Regular #1210355 and ANID/FONDEQUIP EQM180180. Project supported by the Fund of Scientific and Technological Equipment, year 2018, code L318-04, Universidad Tecnológica Metropolitana. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). K.W-A acknowledges the financial support of ANID/FONDECYT Postdoctorado project # 3200270.
There are no competing interests to declare by the authors of this article.
DOI: 10.17632/p3d2xtfgcn.2
title: Dataset of "Augmented Magnetic Response and Spin-Transfer in Copper Corrole/Graphene Hybrids: A DFT Study"

description: This dataset is related to extended research of the stability of hybrid materials based on copper corroles and graphene nanosheet as a platform. This dataset contains a summary of main results based on Density Functional Theory calculations. This dataset includes:
(1) Optimized geometries: the molecular geometry of isolated corroles and corrole/graphene hybrids is described in their cartesian coordinates.
(2) Atom in Molecules analysis: output files of atoms-in-molecules analysis corroborating the Poincare-Hopf relation. Besides, the density of the bond critical points density for intermolecular interactions was included to characterize the nature of the chemical bonds.
(3) Independent Gradient Model (IGM) Surfaces: Intermolecular interactions between copper-corroles and graphene were characterized by IGM surfaces (cube file format).
(4) Corresponding Magnetic Orbitals: Magnetic orbitals for hybrid and isolated systems are included.
The results describe the stabilization of copper-corroles adsorbed onto graphene nanosheet, demonstrating a high affinity with this platform. Furthermore, atoms-in-molecules analysis display the density of bond critical-points as a descriptor of the chemical nature of intermolecular interactions. The results indicate that N-Cu bonds are coordinated bonds, most of the intermolecular C-C interactions are weak electrostatic/dispersion interactions, and C-F intermolecular interactions are highly polarized in nature. Moreover, intermolecular IGM surfaces are presented as cube files (dg_inter.cub and dg_intra.cub, respectively) to describe the dispersive interaction between copper-corrole and graphene platform, intra- and. Moreover, corresponding magnetic orbital surfaces were included. Finally, the current dataset is addressed to contain relevant supplementary information for other research in the fields of chemistry, materials science, sensors, catalysis, optics, among others.
Acknowledgements
Authors acknowledge the ECOS Sud-Chile project No. C19E07 supported by the Chilean Comisión Nacional de Investigación Científica y Tecnológica (CONICYT), the French Ministère de l’Enseignement Supérieur, de la Recherche et de l’Innovation (MESRI) and the French Ministère de l’Europe et des Affaires Étrangères (MEAE). L. S. Acknowledge to Fondecyt Iniciación N° 11181187. P.D. acknowledges to FONDECYT 1201173. D.C-A thanks the financial support of the ANID FONDECYT/Regular #1210355 and ANID/FONDEQUIP EQM180180. Project supported by the Fund of Scientific and Technological Equipment, year 2018, code L318-04, Universidad Tecnológica Metropolitana. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). K.W-A acknowledges the financial support of ANID/FONDECYT Postdoctorado project # 3200270.
There are no competing interests to declare by the authors of this article.
DOI: 10.17632/p3d2xtfgcn.4
title: Dataset of "Augmented Magnetic Response and Spin-Transfer in Copper Corrole/Graphene Hybrids: A DFT Study"

description: This dataset is related to extended research of the stability of hybrid materials based on copper corroles and graphene nanosheet as a platform. This dataset contains a summary of main results based on Density Functional Theory calculations. This dataset includes:
(1) Optimized geometries: the molecular geometry of isolated corroles and corrole/graphene hybrids is described in their cartesian coordinates.
(2) Atom in Molecules analysis: output files of atoms-in-molecules analysis corroborating the Poincare-Hopf relation. Besides, the density of the bond critical points density for intermolecular interactions was included to characterize the nature of the chemical bonds.
(3) Independent Gradient Model (IGM) Surfaces: Intermolecular interactions between copper-corroles and graphene were characterized by IGM surfaces (cube file format).
(4) Corresponding Magnetic Orbitals: Magnetic orbitals for hybrid and isolated systems are included.
The results describe the stabilization of copper-corroles adsorbed onto graphene nanosheet, demonstrating a high affinity with this platform. Furthermore, atoms-in-molecules analysis display the density of bond critical-points as a descriptor of the chemical nature of intermolecular interactions. The results indicate that N-Cu bonds are coordinated bonds, most of the intermolecular C-C interactions are weak electrostatic/dispersion interactions, and C-F intermolecular interactions are highly polarized in nature. Moreover, intermolecular IGM surfaces are presented as cube files (dg_inter.cub and dg_intra.cub, respectively) to describe the dispersive interaction between copper-corrole and graphene platform, intra- and. Moreover, corresponding magnetic orbital surfaces were included. Finally, the current dataset is addressed to contain relevant supplementary information for other research in the fields of chemistry, materials science, sensors, catalysis, optics, among others.
Acknowledgements
Authors acknowledge the ECOS Sud-Chile project No. C19E07 supported by the Chilean Comisión Nacional de Investigación Científica y Tecnológica (CONICYT), the French Ministère de l’Enseignement Supérieur, de la Recherche et de l’Innovation (MESRI) and the French Ministère de l’Europe et des Affaires Étrangères (MEAE). L. S. Acknowledge to Fondecyt Iniciación N° 11181187. P.D. acknowledges to FONDECYT 1201173. D.C-A thanks the financial support of the ANID FONDECYT/Regular #1210355 and ANID/FONDEQUIP EQM180180. Project supported by the Fund of Scientific and Technological Equipment, year 2018, code L318-04, Universidad Tecnológica Metropolitana. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). K.W-A acknowledges the financial support of ANID/FONDECYT Postdoctorado project # 3200270.
There are no competing interests to declare by the authors of this article.
DOI: 10.17632/pdv4zxr5yn.1
title: Supplementary files for- Immune-mediated hepatic disorders associated with tyrosine kinase inhibitors plus immunotherapy in renal cell carcinoma

description: Supplementary file S1: Raw data of immune-mediated hepatic disorders associated with TKI plus IC combination therapy. Supplementary file S2: Raw data of drug-drug interactions analysis between TKI and ICI combination therapy.
DOI: 10.17632/dn7dwrpcbw.1
title: EMG and US thickness during Superman exercise

description: Individual data obtained from Erector spinae (ES) and Gluteus Maximus (GM) during 32s Superman Exercise using electromyography. Lumbar multifidus thickness obtained using ultrasonography.
DOI: 10.17632/ts668n5nd5.1
title: Animal behaviour textbook images

description: Data used in the study of images of non-human animals in animal behaviour textbooks within sections associated with sexual selection and reproductive-related behaviours.
DOI: 10.17632/582wkkptg4.1
title: Anxiety and heart rate under a real-life class test among second year university students

description: Test-. State- and Trait anxiety were assessed under two conditions: 1. Oral presentation in person, and 2. videotaped oral presentation with the student present. HR and state anxiety was monitored before and after the test.
DOI: 10.17632/rmykf59d5b.1
title: LINF_340037200

description: Heme/Steroid binding domain containing protein
Leishmania infantum (strain JPCM5)
DOI: 10.17632/nv9p6gcd9j.1
title: Dataset for the harmful effects of surgical plume inhalation on theatre staff - a systematic review

description: Surgical smoke refers to the plume generated by the use of energy-generating surgical equipment on tissue, and is hypothesised to contain carcinogenic chemicals and infective material. This has become of particular concern following the beginning of the SARS-CoV-2, or COVID-19, pandemic. This dataset represents the results of a systematic review of original articles related to surgical smoke, it's characteristics and the effect of it's inhalation of operating room personnel. In particular, this data addresses particle size, infection risk, chemical composition, carcinogenicity and whether laparoscopic surgery produces more surgical plume than open surgery. 

Data was gathered through a search of OVID MEDLINE, EMBASE, and PubMed databases, and all human in-vivo and ex-vivo studies were included. Data was extracted from 28 original articles. Surgical smoke particles were found to be respirable in size, with viral DNA also being present in the plume. Further, the data demonstrated the ability for this smoke to produce viral infection of nasal epithelial cells. Carcinogenic compounds were also present in the plume in concentrations above occupational safety limits. Finally, the data suggested that open surgery generally produced less smoke than laparoscopic.
DOI: 10.17632/w7tjw6mxh2.1
title: Aditia Ginantaka

description: Traceability is the ability to verify the history
and location of a food product, thus providing information
on each supply-chain actor, who the immediate supplier is,
and to whom the product was sent. The information system
approach has been used to manage and integrate all such
information by collecting, storing, then retrieving data and
information about the product from earlier stages of the
production process. Besides documentation and information
sharing, such traceability information systems can also
support timely resolution of customer complaints. This
paper presents modelling of routing and handling time
prediction using a fuzzy associative memory (FAM)
method. As a first response to customers, information about
the time required to resolve an issue can be provided after
the source of a product defect has been traced. With
regards to handling, traceability can assist with several
issues, e.g., product replacement, product recalls based on
retrieval of the contact numbers of affected customers on a
recall list , and inspections at each production unit to
ensure food safety standards. Based on such activities, it is
assumed that the handling time will be affected by the size
of the product inventory that can be used to replace a
defective product, the amount of product that must be
recalled from the market, and the time required internally
for the inspection process, which is set as the FAM input
variable. A FAM is a set of fuzzy-set pairs (A, B) that maps an input vector fuzzy set A to an output vector fuzzy set
B. Our experiments show that, from such a FAM formulation,
one can obtain 27 rules. The FAM will encode a
fuzzy-set pair (A, B) to obtain matrix memories, denoted by
M. As the prediction result, the matrix B can be obtained
from the computational matrix A and the matrix M; For
instance, in case of a contamination incident in a fish
product with inventory conditions of as much as 4 tonnes,
the product recall amounts to 21 tonnes and the inspection
will take 25 h, while the results of the computational
experiment show that the total handling time for this case
will be 66 h with low error rates.
DOI: 10.17632/6bnj5h9w59.1
title: Initial Data for Assessment of Cost of Steel Production

description: In principle, ambition climate change polices impact the competitiveness of industries on the international market.  into consideration. In order to identity cost adjustments being necessary to prevent relocation of production of industries outside the EU in the course of tightening environmental regulations, information on country specific production cost is needed. Such information is provided in this study. In particular, we present cost figure for different technologies being located in different countries. Special attention is paid to transportation cost. The data has been extracted from different sources that are, in principle, publicly available and prepared for being employed in techno-economic floor price models aiming e.g. to assess the competitiveness of different steel production routes in different countries.
DOI: 10.17632/6bnj5h9w59.2
title: Initial Data for Assessment of Cost of Steel Production

description: In principle, ambition climate change polices impact the competitiveness of industries on the international market.  into consideration. In order to identity cost adjustments being necessary to prevent relocation of production of industries outside the EU in the course of tightening environmental regulations, information on country specific production cost is needed. Such information is provided in this study. In particular, we present cost figure for different technologies being located in different countries. Special attention is paid to transportation cost. The data has been extracted from different sources that are, in principle, publicly available and prepared for being employed in techno-economic floor price models aiming e.g. to assess the competitiveness of different steel production routes in different countries.
DOI: 10.17632/6bnj5h9w59.3
title: Initial Data for Assessment of Cost of Steel Production

description: In principle, ambition climate change polices impact the competitiveness of industries on the international market.  into consideration. In order to identity cost adjustments being necessary to prevent relocation of production of industries outside the EU in the course of tightening environmental regulations, information on country specific production cost is needed. Such information is provided in this study. In particular, we present cost figure for different technologies being located in different countries. Special attention is paid to transportation cost. The data has been extracted from different sources that are, in principle, publicly available and prepared for being employed in techno-economic floor price models aiming e.g. to assess the competitiveness of different steel production routes in different countries.
DOI: 10.17632/72378kxdhy.1
title: dataset_MDLCRP

description: This data contains parameters of the distance between ports and indicators of port readiness as an alternative to regional or local depots. This data is used as material for the application of the multi-depot location, covering, and routing problem (MDLCRP) model. The distance between ports is measured using Google Maps in kilometers (km). The readiness of the port is indicated by being located close to the district/city capital and being located on an island with a land area of more than 365 square kilometers for future development expansion.
DOI: 10.17632/79367c6gfn.1
title: Data for: Recognition of Sunflower Growth Period Based on Deep Learning from UAV Remote Sensing Images

description: Supplementary material for the paper "Recognition of Sunflower Growth Period Based on Deep Learning from UAV Remote Sensing Images". This dataset includes some core codes of the paper and remote sensing images for the study area.
DOI: 10.17632/tbx9szxst5.1
title: Related Factors of Placenta Accreta Spectrum in Women with Repeat Caesarean Deliveries and Its Effect on Pregnancy Outcomes

description: Placenta Accreta Spectrum (PAS) is an abnormal attachment of trophoblastic tissues to the uterine myometrium. It is a dangerous pregnancy complication and one of the leading causes of maternal morbidity and mortality. PAS may induce serious complications such as postpartum haemorrhage (PPH) and hysterectomy. Prior caesarean delivery and placenta previa are the major risk factors of PAS. The rate of caesarean delivery (CD) without medical indication has been raised in recent years. In the current study, we evaluated 142 women with a history of prior CD and divided them into two groups. Eighty-five patients had prior CD and PAS in their current pregnancy (case group) and fifty-seven patients had prior CD without PAS (control group). Demographic data and past gynaecological history, such as placenta previa, were collected. We found the prior CD and placenta previa increase the risk of PAS significantly. PAS was associated with more emergent caesarean deliveries and hysterectomies. We didn`t find a significant association between prior hysteroscopies and curettages with increased risk of PAS.
DOI: 10.17632/39mxxdfkdn.1
title: PGC 1α senses the CBC of pre-mRNA to dictate the fate of promoter-proximally paused RNAPII

description: PGC-1α is well-established as a metazoan transcriptional coactivator of cellular adaptation in response to stress. However, the mechanisms by which PGC-1α activates gene transcription are incompletely understood. Here, we report that PGC 1α serves as a scaffold protein that physically and functionally connects the DNA-binding protein estrogen-related receptor α (ERRα), cap-binding protein 80 (CBP80), and Mediator to overcome promoter-proximal pausing of RNAPII and transcriptionally activate stress-response genes. We show that PGC-1α promotes pausing release in a two-arm mechanism: by recruiting the positive transcription elongation factor b (P-TEFb), and by outcompeting the premature transcription termination complex Integrator. Using mice homozygous for five amino-acid changes in the CBP80-binding motif (CBM) of PGC 1α that destroy CBM function, we show that efficient differentiation of primary myoblasts to myofibers and timely skeletal-muscle regeneration after injury require PGC 1α binding to CBP80. Our findings reveal how PGC-1α activates stress-response gene transcription in a previously unanticipated pre-mRNA quality-control pathway.
DOI: 10.6084/m9.figshare.21802899
title: Reversible Bipolar Thermopower of Ionic Thermoelectric Polymer Composite for Cyclic Energy Generation

description: Data of the project of the Reversible Bipolar Thermopower of Ionic Thermoelectric Polymer Composite for Cyclic Energy Generation
DOI: 10.17632/p27k9ytgsd.1
title: LINF_340037900

description: exosome subunit rrp6p homologue | RRP6
Leishmania infantum (strain JPCM5)