cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.13628348
title: Analytical treatment of proton double-quantum NMR intensity build-up: multi-spin couplings and the flip-flop term

description: This Dataset comprises the simulation code as well as the calculated raw data and contained in the figures of our journal article in Magnetic Resonance 6 (2025). A preprint is available here: https://doi.org/10.5194/mr-2024-15. For copyright details and licensing we refer to the published article and the publisher. Here is the abstract of the article:



A modified Anderson-Weiss approximation for describing double quantum (DQ) NMR experiments in systems with many I = 1/2 spins is proposed, taking inter-spin flip-flop processes into special consideration. In this way, an analytical result is derived for multi-spin systems for the first time. It is shown that in the initial stages of DQ intensity build-up, the probability of flip-flop processes in DQ experiments is half as large as in analogous Hahn-echo or free-induction-decay experiments. Their influence on the experimentally observed DQ NMR signal becomes dominant at times t > 2.12 T_2^eff , where T_2^eff is the effective spin-spin relaxation time measured by the Hahn echo. Calculations and a comparison with spin-dynamics simulations of small spin systems up to 8 spins reveal a satisfactory agreement.


The two .csv tables contain the numerical data contained in Figs. 1 and 2, separated into the two different spin systems (all-trans alkyl cut-outs and gg-propyl fragment with up to 2 extra spins). Each spin configuration has up to 3 columns, the first being always the DQ build-up curve, the second the FID (both from density matrix simulations) and the third and sometimes the sole column is from the analytical calculation, which can handle no more than 8 spins.

The two simulation codes are dmsim_statmq.cc and analytical_statmq.cc written in (GNU) C++ with the following include files:dynmatrix2+.hxxdynmatrix2+.ihxxdynvector2+.hxxdynvector2+.ihxx

Example for compile.bat, assuming an instance of the MinGW C++ compiler on a Windows PC in C:\MinGQ\ and additional include files in C:\sim\utils\:



set djgpp=C:\MinGW\djgpp.env set path=C:\MinGW\bin;%PATH%gcc -O2 -IC:\sim\utils -c %1.ccgcc %1.o -lm -lstdc++ -o %1.exedel %1.o


Such a compile.bat is called with either of the simulation codes without extension ".cc", e.g.compile dmsim_statmq

The simulation is called with either one of the include files (inCH2alkyl.txt or inCH2propgg.txt), e.g.dmsim_statmq inCH2alkyl.txtrequiring one of the powder averaging angle lists (angles.beta40b or angles.383, the former being for a z-symmetric spin system and the latter being a REPULSION set for full 3D) and possibly a file with Euler angles specifying fast rotational averaging (either rotz or rot20) being present in the same directory. Both lists contain space-seperated Euler angles alpha and beta in radians and a (relative) weighting factor.

We cannot provide a documentation of this home-written code, but provide a commented input file (inCH2propgg.pdf) to highlight the flexibility on the level of the input parameters (spin system and simulation options).
DOI: 10.5281/zenodo.13628349
title: Analytical treatment of proton double-quantum NMR intensity build-up: multi-spin couplings and the flip-flop term

description: This Dataset comprises the simulation code as well as the calculated raw data and contained in the figures of our journal article in Magnetic Resonance 6 (2025). A preprint is available here: https://doi.org/10.5194/mr-2024-15. For copyright details and licensing we refer to the published article and the publisher. Here is the abstract of the article:



A modified Anderson-Weiss approximation for describing double quantum (DQ) NMR experiments in systems with many I = 1/2 spins is proposed, taking inter-spin flip-flop processes into special consideration. In this way, an analytical result is derived for multi-spin systems for the first time. It is shown that in the initial stages of DQ intensity build-up, the probability of flip-flop processes in DQ experiments is half as large as in analogous Hahn-echo or free-induction-decay experiments. Their influence on the experimentally observed DQ NMR signal becomes dominant at times t > 2.12 T_2^eff , where T_2^eff is the effective spin-spin relaxation time measured by the Hahn echo. Calculations and a comparison with spin-dynamics simulations of small spin systems up to 8 spins reveal a satisfactory agreement.


The two .csv tables contain the numerical data contained in Figs. 1 and 2, separated into the two different spin systems (all-trans alkyl cut-outs and gg-propyl fragment with up to 2 extra spins). Each spin configuration has up to 3 columns, the first being always the DQ build-up curve, the second the FID (both from density matrix simulations) and the third and sometimes the sole column is from the analytical calculation, which can handle no more than 8 spins.

The two simulation codes are dmsim_statmq.cc and analytical_statmq.cc written in (GNU) C++ with the following include files:dynmatrix2+.hxxdynmatrix2+.ihxxdynvector2+.hxxdynvector2+.ihxx

Example for compile.bat, assuming an instance of the MinGW C++ compiler on a Windows PC in C:\MinGQ\ and additional include files in C:\sim\utils\:



set djgpp=C:\MinGW\djgpp.env set path=C:\MinGW\bin;%PATH%gcc -O2 -IC:\sim\utils -c %1.ccgcc %1.o -lm -lstdc++ -o %1.exedel %1.o


Such a compile.bat is called with either of the simulation codes without extension ".cc", e.g.compile dmsim_statmq

The simulation is called with either one of the include files (inCH2alkyl.txt or inCH2propgg.txt), e.g.dmsim_statmq inCH2alkyl.txtrequiring one of the powder averaging angle lists (angles.beta40b or angles.383, the former being for a z-symmetric spin system and the latter being a REPULSION set for full 3D) and possibly a file with Euler angles specifying fast rotational averaging (either rotz or rot20) being present in the same directory. Both lists contain space-seperated Euler angles alpha and beta in radians and a (relative) weighting factor.

We cannot provide a documentation of this home-written code, but provide a commented input file (inCH2propgg.pdf) to highlight the flexibility on the level of the input parameters (spin system and simulation options).
DOI: 10.15468/dl.vksuv6
title: Occurrence Download

description: A dataset containing 189 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Lithuania, Latvia, Poland, Belarus)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Lynx lynx (Linnaeus, 1758)",
 "Year 2010-2025"
 ]
}

 The dataset includes 189 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062507-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.umejh5
title: Occurrence Download

description: A dataset containing 1407 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "Country is Colombia",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "StateProvince is one of (Cesar, Cesar / Magdalena, Cesar Department, Cesar or La Guajira or Magdalena, Cesar-, Cesar/Magdalena, Cesar?, Cesar Dept.)",
 "TaxonKey is Amphibia"
 ]
}

 The dataset includes 1407 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062508-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14622536
title: careproctus_sp_cf_ectenes_zanfona_1.fasta.gz
DOI: 10.5281/zenodo.14622537
title: careproctus_sp_cf_ectenes_zanfona_1.fasta.gz
DOI: 10.15468/dl.durf4z
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((34.82515 32.09572,34.83031 32.09572,34.83031 32.09778,34.82515 32.09778,34.82515 32.09572))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Culex pipiens Linnaeus, 1758",
 "Year 2024-2024"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062509-241126133413365/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.28173971
title: LBMCO_data

description: XRD and NPD data for a Mg-substituted LBCO series
DOI: 10.5281/zenodo.14622347
title: Mel's Test Dataset

description: Excel spreadsheet containing a dummy dataset (does not relate to "real" cases")
DOI: 10.5281/zenodo.14622348
title: Mel's Test Dataset

description: Excel spreadsheet containing a dummy dataset (does not relate to "real" cases")
DOI: 10.15161/oar.it/211771
title: Carta Geologica d'Italia alla scala 1:50.000, F. 451 Melfi

description: Foglio geologico alla scala 1:50.000 basato su rilevamenti alla scala 1:25.000 comprensivo di legenda, schemi a cornice, sezioni geologiche.
DOI: 10.15161/oar.it/211772
title: Carta Geologica d'Italia alla scala 1:50.000, F. 451 Melfi

description: Foglio geologico alla scala 1:50.000 basato su rilevamenti alla scala 1:25.000 comprensivo di legenda, schemi a cornice, sezioni geologiche.
DOI: 10.15468/dl.zysgzu
title: Occurrence Download

description: A dataset containing 36827 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Corallina officinalis L."
 ]
}

 The dataset includes 36827 records from 327 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062511-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nzdcur
title: Occurrence Download

description: A dataset containing 20868 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is FRA",
 "License is CC-BY 4.0",
 "OccurrenceStatus is Present",
 "TaxonKey is Vipera aspis (Linnaeus, 1758)",
 "Year 1999-2025"
 ]
}

 The dataset includes 20868 records from 743 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062512-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15161/oar.it/211767
title: Carta Geologica d'Italia alla scala 1:50.000, F. 450 S. Angelo dei Lombardi

description: Foglio geologico alla scala 1:50.000 basato su rilevamenti alla scala 1:10.000 (eseguiti tra il 1996 e il 2011) comprensivo di legenda, schemi a cornice, sezioni geologiche.
DOI: 10.15161/oar.it/211768
title: Carta Geologica d'Italia alla scala 1:50.000, F. 450 S. Angelo dei Lombardi

description: Foglio geologico alla scala 1:50.000 basato su rilevamenti alla scala 1:10.000 (eseguiti tra il 1996 e il 2011) comprensivo di legenda, schemi a cornice, sezioni geologiche.
DOI: 10.6084/m9.figshare.28174682
title: fit_Tc_tolerance_JT_var

description: Datasets and .inp file for T_LTO modeling.
DOI: 10.6084/m9.figshare.28174682.v1
title: fit_Tc_tolerance_JT_var

description: Datasets and .inp file for T_LTO modeling.
DOI: 10.5281/zenodo.14622621
title: sula_nebouxii_decontaminated_FSCR.fasta.gz
DOI: 10.5281/zenodo.14622622
title: sula_nebouxii_decontaminated_FSCR.fasta.gz
DOI: 10.15468/dl.7tzn2p
title: Occurrence Download

description: A dataset containing 54 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Paphiopedilum hirsutissimum (Lindl. ex Hook.) Stein"
 ]
}

 The dataset includes 54 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062513-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qfu525
title: Occurrence Download

description: A dataset listing the 152 species recorded in GBIF matching the query:
{
 "DatasetKey" : [
 "is Freshwater plants of Cameroon"
 ]
}

 The dataset's 152 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062497-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jarp9b
title: Occurrence Download

description: A dataset containing 2195 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Zeltus amasa"
 ]
}

 The dataset includes 2195 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062514-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cwtm4j
title: Occurrence Download

description: A dataset containing 189 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Lithuania, Latvia, Poland, Belarus)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Lynx lynx (Linnaeus, 1758)",
 "Year 2010-2025"
 ]
}

 The dataset includes 189 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062515-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n28cqe
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is USA.34_1",
 "OccurrenceStatus is Present",
 "TaxonKey is Axion tripustulatum (De Geer, 1775)"
 ]
}

 The dataset includes 5 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062516-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ah5ujb
title: Occurrence Download

description: A dataset containing 4975418 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "OccurrenceStatus is Present",
 "TaxonKey is Aves",
 "Year 2004-2004"
 ]
}

 The dataset includes 4975418 records from 654 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0062498-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18150/tntu1f
title: Source data for: Iterative Learning Control of Discrete Systems With Actuator Backlash Using a Weighted Sum of Previous Trial Control Signals

description: This letter considers iterative learning control design for discrete dynamics in the presence of backlash in the actuators. A new control design for this problem is developed based on the stability theory for nonlinear repetitive processes. An example demonstrates the effectiveness of the new design where the system model is constructed from data collected from frequency response tests on a physical system.
DOI: 10.15468/dl.7gcq84
title: Occurrence Download

description: A dataset containing 1114 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Spartina alterniflora Loisel."
 ]
}

 The dataset includes 1114 records from 168 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021284-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.4121/82d85bb6-83e1-41ba-9a89-276c52204157
title: Data underlying the publication: Polymeric organochloride mediated oxidation of thioethers initiated by ionizing radiation

description: Irradiating aqueous solutions containing organochlorides generates peroxyl radicals by reactions of organochlorides, aqueous electrons and dissolved oxygen, and the radical can oxidize thioethers to sulfoxides. However, the application of small molecular organochlorides in anti-cancer therapy is limited since they can induce liver damage. In this chapter we show that organochlorides bound to a polymer chain behave similar to small molecular organochlorides, when the polymer was fully dissolved in aqueous solution. The oxidation was significantly inhibited if the polymeric organochloride self-assembled in micelles. We hypothesize that aqueous electrons are scavenged by dissolved oxygen before they could diffuse into the hydrophobic core containing the organochloride groups. Nevertheless, our work shows that using polymeric organochlorides can be an alternative to small organochlorides provided that they are easily accessible to aqueous electrons.
DOI: 10.4121/82d85bb6-83e1-41ba-9a89-276c52204157.v1
title: Data underlying the publication: Polymeric organochloride mediated oxidation of thioethers initiated by ionizing radiation

description: Irradiating aqueous solutions containing organochlorides generates peroxyl radicals by reactions of organochlorides, aqueous electrons and dissolved oxygen, and the radical can oxidize thioethers to sulfoxides. However, the application of small molecular organochlorides in anti-cancer therapy is limited since they can induce liver damage. In this chapter we show that organochlorides bound to a polymer chain behave similar to small molecular organochlorides, when the polymer was fully dissolved in aqueous solution. The oxidation was significantly inhibited if the polymeric organochloride self-assembled in micelles. We hypothesize that aqueous electrons are scavenged by dissolved oxygen before they could diffuse into the hydrophobic core containing the organochloride groups. Nevertheless, our work shows that using polymeric organochlorides can be an alternative to small organochlorides provided that they are easily accessible to aqueous electrons.
DOI: 10.4121/0053e714-71c8-413e-acfe-bc9b1844f272
title: Data underlying the publication: Reaction network analysis of organochloride mediated oxidation induced by ionizing radiation

description: The generation of organoperoxy radical by irradiating aqueous solutions of organochlorides depends on the concentration of organochloride, where low concentration of organochloride results in low yield of peroxyl radical. The need of high concentration of organochloride limits the application in cancer therapy as most small molecule organochlorides show liver toxicity at elevated concentrations. To study if the oxidation is feasible at low concentration of organochloride, we proposed a reaction network where the effect of molecular oxygen is included. We hypothesized that oxygen competes with the organochloride to react with aqueous electrons, thereby causing a low yield of peroxyl radical at low organochloride concentrations. However, oxygen is necessary in the peroxyl radical formation pathway, which complicates straightforward prediction of reaction outcome. We developed a mathematic model to simulate the yield of peroxyl radical depending on organochloride and oxygen concentrations. The simulated results indicate that at low organochloride concentration, decreasing oxygen concentration leads to higher yield of peroxyl radical, with a peak at approximately 2% partial pressure of oxygen, and oxygen lower than 2% results in a sharp yield drop of peroxyl radical. Experiments using a thioether as reductant to quantify the peroxyl radical formation show good agreement with simulated data, verifying the proposed network. After irradiation in phosphate buffer saline/organochloride, a thioether caged dye showed a higher uncaging yield than the group without organochloride, demonstrating the viability of using thioether as a radiation sensitive group.
DOI: 10.4121/0053e714-71c8-413e-acfe-bc9b1844f272.v1
title: Data underlying the publication: Reaction network analysis of organochloride mediated oxidation induced by ionizing radiation

description: The generation of organoperoxy radical by irradiating aqueous solutions of organochlorides depends on the concentration of organochloride, where low concentration of organochloride results in low yield of peroxyl radical. The need of high concentration of organochloride limits the application in cancer therapy as most small molecule organochlorides show liver toxicity at elevated concentrations. To study if the oxidation is feasible at low concentration of organochloride, we proposed a reaction network where the effect of molecular oxygen is included. We hypothesized that oxygen competes with the organochloride to react with aqueous electrons, thereby causing a low yield of peroxyl radical at low organochloride concentrations. However, oxygen is necessary in the peroxyl radical formation pathway, which complicates straightforward prediction of reaction outcome. We developed a mathematic model to simulate the yield of peroxyl radical depending on organochloride and oxygen concentrations. The simulated results indicate that at low organochloride concentration, decreasing oxygen concentration leads to higher yield of peroxyl radical, with a peak at approximately 2% partial pressure of oxygen, and oxygen lower than 2% results in a sharp yield drop of peroxyl radical. Experiments using a thioether as reductant to quantify the peroxyl radical formation show good agreement with simulated data, verifying the proposed network. After irradiation in phosphate buffer saline/organochloride, a thioether caged dye showed a higher uncaging yield than the group without organochloride, demonstrating the viability of using thioether as a radiation sensitive group.
DOI: 10.5281/zenodo.13949012
title: THE IMPACT OF LOCAL PRODUCT BRANDING ON THE ECONOMIC PERFORMANCE OF AGRICULTURAL AND LIVESTOCK AGRO-PROCESSING INDUSTRIES IN VLORA

description: This study aims to examine the impact of local product branding on the economic performance of the agricultural and livestock agro-processing industries in the region of Vlora. Based on the data collected from local agro-processing and agro-tourism industries, the purpose of this research is to analyze how branding strategies contribute to increasing the level of sales, the level of income, creating a strong identity, and improving the performance of businesses and the territory where these businesses are concentrated. The study includes in the analysis the influence of the local brand in the creation of the identity, in the level of sales, in the income, the profit margins, and the improvement of the economic performance of the agricultural and livestock agro-processing industries. For this reason, the research was conducted with the inclusion of over 100 industries/agritourism, and the analysis of the questionnaire data was conducted with the STATA program. From the results of the research, it is clear that investment in the branding of products with local indicators is necessary to stimulate economic development and to strengthen the market positioning of businesses in the agricultural and livestock sectors. Also, this research provides important recommendations for improving branding practices as a strategic tool for the development and consolidation of agro-processing industries in the region.