cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.22179206.v1
title: Investigation of novel ligand targeting bromodomain-containing protein 4 (BRD4) for cancer drug discovery: complete pharmacophore approach

description: The Bromodomain (BRD4) and extra-terminal (BET) protein family are reversible; lysine-acetylated epigenetic readers identified as key important epigenetic regulators for protein recognition in posttranslational modifications for targeting cancer for its role in super-enhancers and transcription of oncogene expression in cancer and other forms of cancer and various diseases. Firstly, JQ-1a small potent BET inhibitors, targeting BET proteins were currently in clinical trials to ablate cancer. The identified compounds were taken from the library of preexisting therapeutically potent molecules. The objective of the present study is to identify the potential small molecule inhibitors against BRD4 through <i>in-silico</i> approach for the treatment of cancer. In present study, designed an <i>in-silico</i> screening of small molecules through ligand-based pharmacophore studies against bromodomain-containing protein 4 (BRD-4) protein and used for virtual screening through Database and their binding affinity and interaction of identified molecules were predicted through molecular docking, molecular dynamics simulations for 12 fixed time period, Molecular mechanics (MMGBSA) binding free energy calculations, ADME with drug-likeness properties including violations of lipinski's rule of 5, Jorgensens rule of 3 and other parameters were studied. The docking results indicate from the reported database screened molecules were validated with docking score −7.92 to −4.27Kcal/mol for BRD4-BD1 and the best model identified 21 hits. Among these two drugs were filtered and scrutinized for their ability based on binding modes and common interaction, MMGBSA of the highest affinity −54.53 Kcal/mol of BRD4-BD1 and ADME properties of selected molecules were predicted for its various parameters, dynamics studies evaluating its binding stability using Maestro software. In Conclusion, two BRD4 inhibitors were found to bind strongly in the similar binding sites as JQ-1, highlighting the role of BRD4-BD1. These compounds were identified as promising new options for regulating epigenetics and understanding the structural needs of BRD4 protein, further research in these areas could lead to the development of more effective and targeted cancer drugs. Communicated by Ramaswamy H. Sarma The Bromodomain and extra-C terminal domain (BET) proteins have been identified as an epigenetic approach as a promising targets for cancer. Many small-molecule inhibitors of BRD4 exhibiting a diverse range of acetyl-lysine recognition motifs were collected with different scaffolds biological activities. BRD4 inhibitors provide a novel approach to epigenetic anticancer therapy having significant interest. 3D ligand-based pharmacophore model for BRD4-BD1 and BD2 were generated and screened and further docking and dynamics studies were analyzed. Several new compounds identified as potential BRD4-BD1 inhibitors for various form of tumor’s.
DOI: 10.6084/m9.figshare.22567001
title: Surfactin-like lipopeptides from <i>Bacillus clausii</i> efficiently bind to spike glycoprotein of SARS-CoV-2

description: The coronavirus disease 2019 (COVID-19) rapidly spread across the globe, infecting millions and causing hundreds of deaths. It has been now around three years but still, it remained a serious threat worldwide, even after the availability of some vaccines. Bio-surfactants are known to have antiviral activities and might be a potential alternative for the treatment of SARS-CoV-2 infection. In the present study, we have isolated and purified, a surfactin-like lipopeptide produced by a probiotic bacterial strain <i>Bacillus clausii</i> TS. Upon purification and characterization with MALDI analysis, the molecular weight of the lipopeptide is confirmed as 1037 Da (similar to surfactin C) which is known to have antiviral activities against various enveloped viruses. Purified surfactin-like lipopeptide showed efficient binding and inhibition of SARS-CoV-2 spike (S1) protein, revealed by competitive ELISA assay. Further, we have explored the complete thermodynamics of the inhibitory binding of surfactin-like lipopeptide with S1 protein using isothermal titration calorimetric (ITC) assay. ITC results are in agreement with ELISA with a binding constant of 1.78 × 10<sup>−4</sup> M<sup>−1</sup>. For further validation of the inhibitory binding of surfactin-like lipopeptide with S1 protein and its receptor binding domain (RBD), we performed molecular docking, dynamics, and simulation experiments. Our results suggested that surfactin could be a promising drug agent for the spike protein targeting drug development strategy against SARS-CoV-2 and other emerging variants. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.22567001.v1
title: Surfactin-like lipopeptides from <i>Bacillus clausii</i> efficiently bind to spike glycoprotein of SARS-CoV-2

description: The coronavirus disease 2019 (COVID-19) rapidly spread across the globe, infecting millions and causing hundreds of deaths. It has been now around three years but still, it remained a serious threat worldwide, even after the availability of some vaccines. Bio-surfactants are known to have antiviral activities and might be a potential alternative for the treatment of SARS-CoV-2 infection. In the present study, we have isolated and purified, a surfactin-like lipopeptide produced by a probiotic bacterial strain <i>Bacillus clausii</i> TS. Upon purification and characterization with MALDI analysis, the molecular weight of the lipopeptide is confirmed as 1037 Da (similar to surfactin C) which is known to have antiviral activities against various enveloped viruses. Purified surfactin-like lipopeptide showed efficient binding and inhibition of SARS-CoV-2 spike (S1) protein, revealed by competitive ELISA assay. Further, we have explored the complete thermodynamics of the inhibitory binding of surfactin-like lipopeptide with S1 protein using isothermal titration calorimetric (ITC) assay. ITC results are in agreement with ELISA with a binding constant of 1.78 × 10<sup>−4</sup> M<sup>−1</sup>. For further validation of the inhibitory binding of surfactin-like lipopeptide with S1 protein and its receptor binding domain (RBD), we performed molecular docking, dynamics, and simulation experiments. Our results suggested that surfactin could be a promising drug agent for the spike protein targeting drug development strategy against SARS-CoV-2 and other emerging variants. Communicated by Ramaswamy H. Sarma
DOI: 10.48677/2dd73338-e005-475f-a9f2-637165a9f97c
title: Verwaltungsgrenzen (VGD) BEV 1:250 000 Stichtag 01.10.2022

description: Die Verwaltungsgrenzen Stichtag BEV beinhalten die Grenzen der Verwaltungseinheiten Österreichs im Schnittstellenschema des BEV.

Die Daten sind für folgende Grenzen vorhanden: 
1) Katastralgemeindegrenze 
2) Gemeindegrenze 
3) Bezirksgrenze 
4) Gerichtsbezirksgrenze 
5) Vermessungssprengelgrenze 
6) Finanzamtsbereichsgrenze
7) Bundesländergrenze 
8) Staatsgrenze

Stichtag = Erstellungsdatum:
 Die Daten sind zu diesem Tag der aktuellste Datenbestand des BEV.
 Dies ist nicht ident mit dem Aufnahme- bzw. Vermessungsdatum.
DOI: 10.34740/kaggle/dsv/7175641
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.6084/m9.figshare.24786633
title: Dataset of building specifications, climate projections and results of the impact of climate change on an office building in Portugal

description: This dataset comprises limited building operation specifications of an office building in Portugal, the climate projections for 2055 and 2090 in Coimbra obtained with the Future Weather Generator PT Ed. (https://adai.pt/future-weather-generator/), and the results of the application of several energy measures for a higher energy performance of the building under the future climates.
DOI: 10.6084/m9.figshare.24786633.v1
title: Dataset of building specifications, climate projections and results of the impact of climate change on an office building in Portugal

description: This dataset comprises limited building operation specifications of an office building in Portugal, the climate projections for 2055 and 2090 in Coimbra obtained with the Future Weather Generator PT Ed. (https://adai.pt/future-weather-generator/), and the results of the application of several energy measures for a higher energy performance of the building under the future climates.
DOI: 10.48677/4e73b6d5-4c24-4d1f-a948-6ca83f43fb42
title: Verwaltungsgrenzen (VGD) BEV Stichtag 01.04.2023

description: Die Verwaltungsgrenzen Stichtag BEV beinhalten die Grenzen der Verwaltungseinheiten Österreichs im Schnittstellenschema des BEV.

Die Daten sind für folgende Grenzen vorhanden: 
1) Katastralgemeindegrenze 
2) Gemeindegrenze 
3) Bezirksgrenze 
4) Gerichtsbezirksgrenze 
5) Vermessungssprengelgrenze 
6) Finanzamtsbereichsgrenze
7) Bundesländergrenze 
8) Staatsgrenze

Stichtag = Erstellungsdatum:
 Die Daten sind zu diesem Tag der aktuellste Datenbestand des BEV.
 Dies ist nicht ident mit dem Aufnahme- bzw. Vermessungsdatum.
DOI: 10.48677/48a43ca2-5661-4483-a6cd-ebe726faeb34
title: Verwaltungsgrenzen (VGD) BEV 1:50 000 Stichtag 01.04.2023

description: Die Verwaltungsgrenzen Stichtag BEV beinhalten die Grenzen der Verwaltungseinheiten Österreichs im Schnittstellenschema des BEV.

Die Daten sind für folgende Grenzen vorhanden: 
1) Katastralgemeindegrenze 
2) Gemeindegrenze 
3) Bezirksgrenze 
4) Gerichtsbezirksgrenze 
5) Vermessungssprengelgrenze 
6) Finanzamtsbereichsgrenze
7) Bundesländergrenze 
8) Staatsgrenze

Stichtag = Erstellungsdatum:
 Die Daten sind zu diesem Tag der aktuellste Datenbestand des BEV.
 Dies ist nicht ident mit dem Aufnahme- bzw. Vermessungsdatum.
DOI: 10.48677/3cb2914d-946a-4daf-b537-6a8f1fd260f9
title: Verwaltungsgrenzen (VGD) INSPIRE Stichtag 01.04.2023

description: Die Verwaltungsgrenzen Stichtag beinhalten die Grenzen der Verwaltungseinheiten Österreichs entsprechend der INSPIRE Richtlinie harmonisiert. 

Die Daten sind für folgende Grenzen vorhanden: 
1) Katastralgemeindegrenze
2) Gemeindegrenze
3) Bezirksgrenze
4) Bundesländergrenze
5) Staatsgrenze

Stichtag = Erstellungsdatum:
 Die Daten sind zu diesem Tag der aktuellste Datenbestand des BEV.
 Dies ist nicht ident mit dem Aufnahme- bzw. Vermessungsdatum.
DOI: 10.5281/zenodo.10353066
title: Perturbative effective field theory expansions for cosmological phase transitions, dataset

description: This dataset is the work of Oliver Gould and Tuomas V.I. Tenkanen. It collects the numerical data from the paper "Perturbative effective field theory expansions for cosmological phase transitions" (2023). It primarily contains data from perturbative calculations of the thermal evolution of the real-triplet extended Standard Model at two benchmark parameter points.
In addition, for comparison to the perturbative results, we have included data of the scalar quadratic condensates as a function of temperature from the lattice Monte-Carlo simulations of Lauri Niemi, Michael J. Ramsey-Musolf, Tuomas V.I. Tenkanen and David J. Weir, from the paper "Thermodynamics of a Two-Step Electroweak Phase Transition" (2020). We thank the authors for granting permission to reproduce this data here.
Everything is contained within the archive file triplet_two_step_data.tar.gz, a tarball compressed with Gzip. For further details and for the context of this dataset, see the above papers. Details of the conventions used in the dataset can be found in the accompanying README.md file.
DOI: 10.5281/zenodo.10353065
title: Perturbative effective field theory expansions for cosmological phase transitions, dataset

description: This dataset is the work of Oliver Gould and Tuomas V.I. Tenkanen. It collects the numerical data from the paper "Perturbative effective field theory expansions for cosmological phase transitions" (2023). It primarily contains data from perturbative calculations of the thermal evolution of the real-triplet extended Standard Model at two benchmark parameter points.
In addition, for comparison to the perturbative results, we have included data of the scalar quadratic condensates as a function of temperature from the lattice Monte-Carlo simulations of Lauri Niemi, Michael J. Ramsey-Musolf, Tuomas V.I. Tenkanen and David J. Weir, from the paper "Thermodynamics of a Two-Step Electroweak Phase Transition" (2020). We thank the authors for granting permission to reproduce this data here.
Everything is contained within the archive file triplet_two_step_data.tar.gz, a tarball compressed with Gzip. For further details and for the context of this dataset, see the above papers. Details of the conventions used in the dataset can be found in the accompanying README.md file.
DOI: 10.12770/356c01b4-9113-4b10-aa58-bce4edca4ebc
title: Données d'occurrence des tortues marines de la façade Manche-Atlantique

description: Observations en mer, captures accidentelles et d'échouages de tortue marines sur la façade Manche-Atlantique de 2006 à 2016. Ces données sont collectée par le Centre d'Etudes et de Soins pour les Tortues Marines (CESTM) de l'Aquarium La Rochelle et renseigne sur le type d'observation, sa géolocalisation, et le code du taxon concerné. Pour chaque observation la mesure concerne le nombre d'individus ainsi que l'état de l'animal (vivant ou mort).
DOI: 10.5281/zenodo.7064383
title: A waveform dataset in continuous mode of the Montefeltro seismic network (MF) in central-northern Italy from 2018 to 2020

description: The Montefeltro seismic network (FDSN Network code: 1S) was deployed in the Apennines area of
northern Marche and southern Emilia-Romagna regions (central Italy). The network has been set up
starting from December 2018, and the array consists of stations equipped with dynamic digitizers
and three component short/extended/broad band seismometers (Guralp 3D/40s, Lennartz 3D/5s,
SS20 3D/0.5s sensors). The temporary network records in continuous mode at 100 sps. The data are
used to analyse the seismicity and the spatio-temporal evolution of small seismic sequences,
occurring in the considered area and surrounding zones, strongly clustered in time and space.
Stations (registered in ISC) in this Network:
Station code             Location                Station name                     Data acquisition
              Lat(N)          Lon(E)      Ele(m)                                               Start                End
MF01    43.82150    12.57190    368    Auditore (PU)                     2018-11-29    2020-12-31
MF02    43.86540    12.21070    626    Sant'Agata Feltria (RN)    2019-04-19    2020-05-30
MF03    43.84860    12.47990    541    Monte Grimano (PU)        2019-10-07    2020-12-31
MF04    43.81030    12.05620  1043    Verghereto (FC)                2020-10-09    2020-12-31
The data of dataset files are miniseed formatted and subdivided by the following tree:
(1) the dataset is divided by years;
(2) the divided by years dataset is subdivided by stations;
(3) finally, the data are divided by days of each year in every station folder.



Response information:
Station code   Sensor                     Recorder      Recorder period
                                                                                  Start               End
MF01               Lennartz 3D/5s      Reftek 130   2018-11-29   2019-10-07
MF01S            Lennartz 3D/5s       Sara SL06    2019-10-07   2020-12-31
MF02               Guralp CMG/20s    Reftek 130   2019-04-19   2020-05-30
MF03               Guralp CMG/30s    Reftek 130   2019-10-07   2020-12-31
MF04               Sara SS02/0.5s      Sara SL06    2020-10-09   2020-12-31


In this dataset the data recorded by MF01 station are been acquisited by different recorders,
the firth record period by Reftek 130 (MF01) and the second record period by Sara SL06 (MF01S).


List for the responses of the Seismic Instruments
Guralp CMG/20s sensor response: RESP_XX_NS444_BHZ_CMG40T_20_50_800.txt
Guralp CMG/30s sensor response: RESP_XX_NS041_BHZ_CMG40T_30_800.txt
Lennartz 3D/5s sensor response: RESP_XX_NS484_SHZ_LE-3D5sMkIII_5_800.txt
Sara SS02/5s   sensor response: RESP_XX_NS505_SHZ_SS02_5.txt
Reftek 130 datalogger response: RESP_XX_NR008_HHZ_130_1.txt
Sara SL06  datalogger response: RESP_XX_NS000_HHZ_SL06_88_L22x3_100_4.txt
description: Data software:
The miniseed data are viewable by PQL software
(https://www.passcal.nmt.edu/content/pql-ii-program-viewing-data [www.passcal.nmt.edu]).
DOI: 10.5281/zenodo.7064384
title: A waveform dataset in continuous mode of the Montefeltro seismic network (MF) in central-northern Italy from 2018 to 2020

description: The Montefeltro seismic network (FDSN Network code: 1S) was deployed in the Apennines area of
northern Marche and southern Emilia-Romagna regions (central Italy). The network has been set up
starting from December 2018, and the array consists of stations equipped with dynamic digitizers
and three component short/extended/broad band seismometers (Guralp 3D/40s, Lennartz 3D/5s,
SS20 3D/0.5s sensors). The temporary network records in continuous mode at 100 sps. The data are
used to analyse the seismicity and the spatio-temporal evolution of small seismic sequences,
occurring in the considered area and surrounding zones, strongly clustered in time and space.
Stations (registered in ISC) in this Network:
Station code             Location                Station name                     Data acquisition
              Lat(N)          Lon(E)      Ele(m)                                               Start                End
MF01    43.82150    12.57190    368    Auditore (PU)                     2018-11-29    2020-12-31
MF02    43.86540    12.21070    626    Sant'Agata Feltria (RN)    2019-04-19    2020-05-30
MF03    43.84860    12.47990    541    Monte Grimano (PU)        2019-10-07    2020-12-31
MF04    43.81030    12.05620  1043    Verghereto (FC)                2020-10-09    2020-12-31
The data of dataset files are miniseed formatted and subdivided by the following tree:
(1) the dataset is divided by years;
(2) the divided by years dataset is subdivided by stations;
(3) finally, the data are divided by days of each year in every station folder.



Response information:
Station code   Sensor                     Recorder      Recorder period
                                                                                  Start               End
MF01               Lennartz 3D/5s      Reftek 130   2018-11-29   2019-10-07
MF01S            Lennartz 3D/5s       Sara SL06    2019-10-07   2020-12-31
MF02               Guralp CMG/20s    Reftek 130   2019-04-19   2020-05-30
MF03               Guralp CMG/30s    Reftek 130   2019-10-07   2020-12-31
MF04               Sara SS02/0.5s      Sara SL06    2020-10-09   2020-12-31


In this dataset the data recorded by MF01 station are been acquisited by different recorders,
the firth record period by Reftek 130 (MF01) and the second record period by Sara SL06 (MF01S).


List for the responses of the Seismic Instruments
Guralp CMG/20s sensor response: RESP_XX_NS444_BHZ_CMG40T_20_50_800.txt
Guralp CMG/30s sensor response: RESP_XX_NS041_BHZ_CMG40T_30_800.txt
Lennartz 3D/5s sensor response: RESP_XX_NS484_SHZ_LE-3D5sMkIII_5_800.txt
Sara SS02/5s   sensor response: RESP_XX_NS505_SHZ_SS02_5.txt
Reftek 130 datalogger response: RESP_XX_NR008_HHZ_130_1.txt
Sara SL06  datalogger response: RESP_XX_NS000_HHZ_SL06_88_L22x3_100_4.txt
description: Data software:
The miniseed data are viewable by PQL software
(https://www.passcal.nmt.edu/content/pql-ii-program-viewing-data [www.passcal.nmt.edu]).
DOI: 10.6084/m9.figshare.24717828
title: Project Paper_Financial Econometrics

description: Project paper, Financial Econometrics Class
DOI: 10.6084/m9.figshare.24717828.v1
title: Project Paper_Financial Econometrics

description: Project paper, Financial Econometrics Class
DOI: 10.5281/zenodo.8307502
title: CuneiML

description: The cuneiform writing system holds a vast reservoir of ancient literature, encompassing over 3000 years of history. Originating around the mid-fourth millennium BCE and enduring until the late first millennium BCE, cuneiform writing spans various genres such as administrative, legal, medical, and scientific documents, among others. This article introduces a curated dataset, CuneiML, featuring 38,947 high-resolution 2D photos of  Sumerian and Akkadian cuneiform tablets, accompanied by their cuneiform Unicode transcriptions, transliterations, lineart, and metadata.  This dataset aims to support the development of machine learning tools for processing and analyzing Sumerian and Akkadian cuneiform artifacts – e.g. for automatically classifying genre, provenance, or period from unannotated tablet images. Thus, CuneiML is designed with consistency of format as a primary concern. Specifically, CuneiML is a result of meticulously preprocessing, segmenting, filtering, and re-transliterating data that is available online in the Cuneiform Digital Library Initiative (CDLI) collection.
DOI: 10.5281/zenodo.8307503
title: CuneiML

description: The cuneiform writing system holds a vast reservoir of ancient literature, encompassing over 3000 years of history. Originating around the mid-fourth millennium BCE and enduring until the late first millennium BCE, cuneiform writing spans various genres such as administrative, legal, medical, and scientific documents, among others. This article introduces a curated dataset, CuneiML, featuring 38,947 high-resolution 2D photos of  Sumerian and Akkadian cuneiform tablets, accompanied by their cuneiform Unicode transcriptions, transliterations, lineart, and metadata.  This dataset aims to support the development of machine learning tools for processing and analyzing Sumerian and Akkadian cuneiform artifacts – e.g. for automatically classifying genre, provenance, or period from unannotated tablet images. Thus, CuneiML is designed with consistency of format as a primary concern. Specifically, CuneiML is a result of meticulously preprocessing, segmenting, filtering, and re-transliterating data that is available online in the Cuneiform Digital Library Initiative (CDLI) collection.
DOI: 10.34683/sr263
title: StoneRounds Case: SR263
title: SECORD

description: StoneRounds Case SR263 was diagnosed with SECORD likely caused by mutations in the gene: CRB1.
DOI: 10.17026/dans-z4y-gbmq
title: Leesbaarheidsindex voor het Nederlands

description: In dit project zijn voor 120 teksten clozetoetsen afgenomen onder 2900 scholieren uit het voortgezet onderwijs. Het gaat om 60 teksten die elk in twee versies zijn aangeboden, afgekort als MAK (makkelijk) en MOEI (moeilijk). De clozetoetsen zijn gemaakt door leerlingen uit vmbo (BB, KB, GT), havo en vwo in de leerjaren 2 tot en met 4. De clozescores zijn genormaliseerd naar een toets met 30 clozegaten en geaggregeerd per tekst.