cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.48436/qg0v1-32e61
title: Monoselective N-Methylation of Amides, Indoles, and Related Structures Using Quaternary Ammonium Salts as Solid Methylating Agents
title: Org. Lett. 2022, 24, 40, 7315–7319

description: Analytical Data and Compound Numbering (in paper numbering vs. ELN entries) for the Publication entitled:"Monoselective N-Methylation of Amides, Indoles, and Related Structures Using Quaternary Ammonium Salts as Solid Methylating Agents"

The paper was published on 2022-10-03 in Organic Letters

Org. Lett. 2022, 24, 40, 7315-7319

DOI: 10.1021/acs.orglett.2c02766

Authors: Johanna Templ, Edma Gjata, Filippa Getzner, and Michael Schnürch

Funded by the Austrian Science Fund (FWF, project number P33064-N)

Context and methodology

In this Publication, we report the use of phenyl trimethylammonium iodide (PhMe3NI) as a safe, nontoxic, and easy-to-handle reagent for an absolutely monoselective N-methylation of amides and related compounds as well as for the N-methylation of indoles. In addition, we expanded the method to N-ethylation using PhEt3NI. The ease of operational setup, high yields of ≤99%, high functional group tolerance, and especially the excellent monoselectivity for amides make this method attractive for late-stage methylation of bioactive compounds.

The publication and its Supporting Information can be found as open-access files on the publisher's website (see DOI above).

All detailed files containing the analytical raw data, for all compounds given in the Supporting Information of the manuscript are uploaded. An additional PDF file named Org. Lett. 2022, 24, 40, 7315-7319_compound number list.pdf is uploaded, that should clearly link the compound number given in the paper to the respective entry in the ELN (jotempl) and the respective analytical data files. 

Technical details

The files uploaded contain the FIDs of NMR spectra recorded by an in-house Bruker Spectrometer. A software to display NMR-spectra is needed, such as MestreNova or Topspin).

HRMS data is uploaded too and has to be processed via MassHunter software.
DOI: 10.48436/vng5n-gs684
title: Monoselective N-Methylation of Amides, Indoles, and Related Structures Using Quaternary Ammonium Salts as Solid Methylating Agents
title: Org. Lett. 2022, 24, 40, 7315–7319

description: Analytical Data and Compound Numbering (in paper numbering vs. ELN entries) for the Publication entitled:"Monoselective N-Methylation of Amides, Indoles, and Related Structures Using Quaternary Ammonium Salts as Solid Methylating Agents"

The paper was published on 2022-10-03 in Organic Letters

Org. Lett. 2022, 24, 40, 7315-7319

DOI: 10.1021/acs.orglett.2c02766

Authors: Johanna Templ, Edma Gjata, Filippa Getzner, and Michael Schnürch

Funded by the Austrian Science Fund (FWF, project number P33064-N)

Context and methodology

In this Publication, we report the use of phenyl trimethylammonium iodide (PhMe3NI) as a safe, nontoxic, and easy-to-handle reagent for an absolutely monoselective N-methylation of amides and related compounds as well as for the N-methylation of indoles. In addition, we expanded the method to N-ethylation using PhEt3NI. The ease of operational setup, high yields of ≤99%, high functional group tolerance, and especially the excellent monoselectivity for amides make this method attractive for late-stage methylation of bioactive compounds.

The publication and its Supporting Information can be found as open-access files on the publisher's website (see DOI above).

All detailed files containing the analytical raw data, for all compounds given in the Supporting Information of the manuscript are uploaded. An additional PDF file named Org. Lett. 2022, 24, 40, 7315-7319_compound number list.pdf is uploaded, that should clearly link the compound number given in the paper to the respective entry in the ELN (jotempl) and the respective analytical data files. 

Technical details

The files uploaded contain the FIDs of NMR spectra recorded by an in-house Bruker Spectrometer. A software to display NMR-spectra is needed, such as MestreNova or Topspin).

HRMS data is uploaded too and has to be processed via MassHunter software.
DOI: 10.5281/zenodo.14427254
title: Goslar Einhorn Apotheke

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope):

https://kalliope-verbund.info/ead?ead.id=DE-611-BF-70963

Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.48436/7d8g7-ywz75
title: Efficient synthesis of 2-arylpropionitriles via selective monomethylation of aryl acetonitriles using an easy to handle methylation agent

description: Analytical Data and Compound Numbering (in paper numbering vs. ELN entries) for the Publication entitled:"Efficient synthesis of 2-arylpropionitriles via selective monomethylation of aryl acetonitriles using an easy to handle methylation agent"

The paper was published on 2024-09-08 in the European Journal of Organic Chemistry

Eur. J. Org. Chem. 2024, e202400693

DOI: 10.1002/ejoc.202400693

Authors: Eleni Papaplioura, Johanna Templ, Nina Wildhack, Michael Schnürc

Funded by the Austrian Science Fund (FWF, project number P33064-N) and the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie, Grant Agreement No. 860762

Context and methodology

A convenient and safe methylation protocol employing quaternary ammonium salts (PhMe3NI) as alternative methylating agents for the selective α-methylation of arylacetonitriles is presented. This approach allows for the selective α-methylation of arylacetonitriles, overcoming the limitations of existing techniques, while offering a practical and sustainable solution for late-stage functionalization in medicinal chemistry. The straightforward and safe nature of this methodology makes it particularly well-suited for applications in drug discovery. In our report, we present a diverse set of 18 examples, achieving yields of up to 76%.

The publication and its Supporting Information can be found as open-access files on the publisher's website (see DOI above).

All detailed files containing the analytical raw data, for all compounds given in the Supporting Information of the manuscript are uploaded. An additional docx file named Eur. J. Org. Chem. 2024, e202400693_compound number list.docx is uploaded, that should clearly link the compound number given in the paper to the respective entry in the ELN and the respective analytical data files. 

Technical details

The files uploaded contain the FIDs of NMR spectra recorded by an in-house Bruker Spectrometer. A software to display NMR-spectra is needed, such as MestreNova or Topspin).

HRMS data is uploaded too and has to be processed via MassHunter software.
DOI: 10.48436/bgazb-yz740
title: Efficient synthesis of 2-arylpropionitriles via selective monomethylation of aryl acetonitriles using an easy to handle methylation agent

description: Analytical Data and Compound Numbering (in paper numbering vs. ELN entries) for the Publication entitled:"Efficient synthesis of 2-arylpropionitriles via selective monomethylation of aryl acetonitriles using an easy to handle methylation agent"

The paper was published on 2024-09-08 in the European Journal of Organic Chemistry

Eur. J. Org. Chem. 2024, e202400693

DOI: 10.1002/ejoc.202400693

Authors: Eleni Papaplioura, Johanna Templ, Nina Wildhack, Michael Schnürc

Funded by the Austrian Science Fund (FWF, project number P33064-N) and the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie, Grant Agreement No. 860762

Context and methodology

A convenient and safe methylation protocol employing quaternary ammonium salts (PhMe3NI) as alternative methylating agents for the selective α-methylation of arylacetonitriles is presented. This approach allows for the selective α-methylation of arylacetonitriles, overcoming the limitations of existing techniques, while offering a practical and sustainable solution for late-stage functionalization in medicinal chemistry. The straightforward and safe nature of this methodology makes it particularly well-suited for applications in drug discovery. In our report, we present a diverse set of 18 examples, achieving yields of up to 76%.

The publication and its Supporting Information can be found as open-access files on the publisher's website (see DOI above).

All detailed files containing the analytical raw data, for all compounds given in the Supporting Information of the manuscript are uploaded. An additional docx file named Eur. J. Org. Chem. 2024, e202400693_compound number list.docx is uploaded, that should clearly link the compound number given in the paper to the respective entry in the ELN and the respective analytical data files. 

Technical details

The files uploaded contain the FIDs of NMR spectra recorded by an in-house Bruker Spectrometer. A software to display NMR-spectra is needed, such as MestreNova or Topspin).

HRMS data is uploaded too and has to be processed via MassHunter software.
DOI: 10.15468/dl.9au8tm
title: Occurrence Download

description: A dataset containing 557 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Trogoderma granarium Everts, 1898"
 ]
}

 The dataset includes 557 records from 45 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032599-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28021214.v1
title: <b>Research Project: Impact of Air Pollution on Respiratory Health in Almaty</b>

description: This research investigates the impact of air pollution, specifically PM2.5 levels, on respiratory health in Almaty, Kazakhstan, during November 2023. By analyzing daily air quality data and conducting surveys on respiratory symptoms among local residents, the study explores the correlation between elevated PM2.5 concentrations and the frequency and severity of symptoms like coughing, shortness of breath, and wheezing. The results revealed that PM2.5 levels consistently exceeded the World Health Organization’s safe threshold, with a significant positive correlation (r = 0.72) between higher pollution levels and worsened respiratory health. On high-pollution days, a substantial portion of participants reported moderate to severe symptoms, suggesting that prolonged exposure to poor air quality may contribute to chronic respiratory conditions. This study underscores the urgent need for improved air quality management in Almaty and provides context by comparing these findings with similar pollution challenges faced by cities like Delhi and Beijing.
DOI: 10.6084/m9.figshare.28001450.v3
title: GBM-Reservoir: Dataset and Segmentations

description: In this repository, we present a brain tumor database collection comprising 23,049 samples, with each sample including four different types of MRI brain scans: FLAIR, T1, T1ce, and T2. Additionally, two segmentation masks (ground truth) are provided for each sample. The first mask is the raw output from the registration process, while the second is a post-processed version of the first, designed to simplify interpretation and optimize it for network training. These samples have been acquired via registration process of 438 samples available at the moment of registration from the original dataset provided by the BraTS 2022 Challenge. Registering each pair of existing brain scans results in two additional scans that retain a similar brain shape while featuring varying tumor locations. Consequently, by registering all possible pairs, a dataset originally consisting of n samples can be expanded to n<sup>2</sup> samples. The original dataset was collected from different institutions under standard clinical conditions, but with different equipment and imaging protocols. As a result, the image quality is heterogeneous, reflecting the diversity of clinical practices across institutions. This dataset can be utilized for various tasks, such as developing fully automated segmentation algorithms for new, unseen brain tumor cases, particularly through deep learning-based approaches, since ground truth is provided for each sample.
DOI: 10.5281/zenodo.14427341
title: Gräfenthal Apotheke

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope):

https://kalliope-verbund.info/ead?ead.id=DE-611-BF-70963

Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.5281/zenodo.14421464
title: Bootstrap chains w/ Elephant LCDM, 4 cases: (eps_f varied, eps_f varied w/ As fixed, eps_f  & eps_dg varied, eps_f  & eps_dg variedw/ As fixed)

description: The four zip files contain the chains run with PyBird using the bootstrap model against the Elephant simulations in LCDM.

epsf: varied all the cosmology and epsilon_f

fixAS_epsf: varied all the cosmology and epsilon_f, fixed As to the fiducial value 

epsf_epsdg: varied all the cosmology and (epsilon_f, epsilon_{d_\gamma})

fixAS_epsf_epsdg: varied all the cosmology and (epsilon_f, epsilon_{d_\gamma}) fixed As to the fiducial value
DOI: 10.5281/zenodo.14421465
title: Bootstrap chains w/ Elephant LCDM, 4 cases: (eps_f varied, eps_f varied w/ As fixed, eps_f  & eps_dg varied, eps_f  & eps_dg variedw/ As fixed)

description: The four zip files contain the chains run with PyBird using the bootstrap model against the Elephant simulations in LCDM.

epsf: varied all the cosmology and epsilon_f

fixAS_epsf: varied all the cosmology and epsilon_f, fixed As to the fiducial value 

epsf_epsdg: varied all the cosmology and (epsilon_f, epsilon_{d_\gamma})

fixAS_epsf_epsdg: varied all the cosmology and (epsilon_f, epsilon_{d_\gamma}) fixed As to the fiducial value
DOI: 10.5281/zenodo.14426392
title: Replication Package for ``Real-Time Detection of Local No-Arbitrage Violations''

description: Replication Package for ``Real-Time Detection of Local No-Arbitrage Violations''
DOI: 10.5281/zenodo.14426393
title: Replication Package for ``Real-Time Detection of Local No-Arbitrage Violations''

description: Replication Package for ``Real-Time Detection of Local No-Arbitrage Violations''
DOI: 10.15468/dl.hp762u
title: Occurrence Download

description: A dataset containing 100242676 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "DatasetKey is EOD – eBird Observation Dataset",
 "GadmGid is USA.5_1",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 100242676 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032597-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14427369
title: Grassau Marien Apotheke

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope):

https://kalliope-verbund.info/ead?ead.id=DE-611-BF-70963

Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.15468/dl.22878r
title: Occurrence Download

description: A dataset containing 82 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-77.16120 3.79042,-76.87481 3.79042,-76.87481 3.90508,-77.16120 3.90508,-77.16120 3.79042))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Mammalia"
 ]
}

 The dataset includes 82 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032600-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.28021214
title: <b>Research Project: Impact of Air Pollution on Respiratory Health in Almaty</b>

description: This research investigates the impact of air pollution, specifically PM2.5 levels, on respiratory health in Almaty, Kazakhstan, during November 2023. By analyzing daily air quality data and conducting surveys on respiratory symptoms among local residents, the study explores the correlation between elevated PM2.5 concentrations and the frequency and severity of symptoms like coughing, shortness of breath, and wheezing. The results revealed that PM2.5 levels consistently exceeded the World Health Organization’s safe threshold, with a significant positive correlation (r = 0.72) between higher pollution levels and worsened respiratory health. On high-pollution days, a substantial portion of participants reported moderate to severe symptoms, suggesting that prolonged exposure to poor air quality may contribute to chronic respiratory conditions. This study underscores the urgent need for improved air quality management in Almaty and provides context by comparing these findings with similar pollution challenges faced by cities like Delhi and Beijing.
DOI: 10.6084/m9.figshare.28021214.v2
title: <b>Research Project: Impact of Air Pollution on Respiratory Health in Almaty</b>

description: This research investigates the impact of air pollution, specifically PM2.5 levels, on respiratory health in Almaty, Kazakhstan, during November 2023. By analyzing daily air quality data and conducting surveys on respiratory symptoms among local residents, the study explores the correlation between elevated PM2.5 concentrations and the frequency and severity of symptoms like coughing, shortness of breath, and wheezing. The results revealed that PM2.5 levels consistently exceeded the World Health Organization’s safe threshold, with a significant positive correlation (r = 0.72) between higher pollution levels and worsened respiratory health. On high-pollution days, a substantial portion of participants reported moderate to severe symptoms, suggesting that prolonged exposure to poor air quality may contribute to chronic respiratory conditions. This study underscores the urgent need for improved air quality management in Almaty and provides context by comparing these findings with similar pollution challenges faced by cities like Delhi and Beijing.
DOI: 10.5281/zenodo.14426863
title: Appraising the feminist consciousness in the Alekwu mythology
title: Alekwu
title: The African traditional practices

description: This paper ideological introduces the general public to the societal codes in  African societies, pointing out it's relevance and significance to the attitude and moral standards of Africans; and as well portraying the gender equality that exists in specific African cultural practices.
DOI: 10.5281/zenodo.14426864
title: Appraising the feminist consciousness in the Alekwu mythology
title: Alekwu
title: The African traditional practices

description: This paper ideological introduces the general public to the societal codes in  African societies, pointing out it's relevance and significance to the attitude and moral standards of Africans; and as well portraying the gender equality that exists in specific African cultural practices.
DOI: 10.5281/zenodo.14427451
title: Anonymised end-user matrix for ECHO project

description: This file contains the anonymised matrix of end-users from the ECHO project, categorised by stakeholder type, geographic region, and interests. It serves as supplementary material for deliverable D4.1.
DOI: 10.5281/zenodo.14427452
title: Anonymised end-user matrix for ECHO project

description: This file contains the anonymised matrix of end-users from the ECHO project, categorised by stakeholder type, geographic region, and interests. It serves as supplementary material for deliverable D4.1.
DOI: 10.6084/m9.figshare.27936195
title: Genetic marker and gene expression data for a 738 line sorghum diversity panel

description: This dataset includes both genetic marker and transcript abundance data estimated for 738 diverse sorghum lines using RNA-seq data collected from mature leaf tissue aligned to the BTx623 v5 sorghum reference genome. Expression data was estimated using kallisto considering one primary transcript for each annotated sorghum gene. For more details on the software tools and parameter settings used, please see Mangal et al. (doi to come).
DOI: 10.15468/dl.m89r5h
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is A new genus of Theraphosid spider from Mexico, with a particular palpal bulb structure (Araneae, Theraphosidae, Theraphosinae)"
 ]
}

 The dataset includes 21 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032601-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34965/i32579
title: 20234028
DOI: 10.6084/m9.figshare.28021238
title: Supporting data: Evaluating the physiological benefits of behavioral flexibility in chacma baboons (<i>Papio ursinus</i>) using a biophysical model

description: Observed core body temperature and predicted core body temperature using Niche Mapper<sup>TM</sup> for a subadult male chacma baboon
DOI: 10.17909/3g7x-b466
title: JWST GO 3942 - L98-59b

description: This data contains four observations of the primary transit of L98-59b observed with JWST's NIRSpec instrument with the G395H grating.
DOI: 10.15468/dl.r8r957
title: Occurrence Download

description: A dataset containing 696 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Merope tuber Newman, 1838"
 ]
}

 The dataset includes 696 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032605-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yekcww
title: Occurrence Download

description: A dataset containing 50 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "Country is Peru",
 "Geometry POLYGON((-73.29672 -16.35484,-73.27617 -16.4066,-73.22137 -16.38148,-73.23532 -16.3556,-73.29672 -16.35484))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "StateProvince is Arequipa"
 ]
}

 The dataset includes 50 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032606-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.