cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.865639.v1
title: Web Table 3. Free energy profile of the formation of iodotriazoles via a Cu-catalysed cycloaddition pathway

description: Two complementary catalytic systems are reported for the 1,3-dipolar cycloaddition of azides and iodoalkynes. These are based on two commercially available/readily available copper complexes, [CuCl(IPr)] or [CuI(PPh3)3], which are active at low metal loadings and in the absence of any other additive (IPr system). These systems were used for the first reported mechanistic studies on this particular reaction. An experimental/computational-DFT approach allowed to establish that 1) some iodoalkynes might be prone to dehalogenation under copper catalysis conditions and, more importantly, 2) that two distinct mechanistic pathways are likely to be competitive with these catalysts; through a copper(III) metallacycle or via direct p-activation of the starting alkyne.
DOI: 10.6084/m9.figshare.865640.v1
title: Achievement and Behaviour in Undergraduate Mathematics: Personality is a Better Predictor than Gender

description: Data which supports the publication "Achievement and Behaviour in Undergraduate Mathematics: Personality is a Better Predictor than Gender", published in <em>Research in Mathematics Education.</em>
DOI: 10.6084/m9.figshare.865719.v6
title: Arachadmin database export

description: This is a mysql export of a database used by the arachnolingua knowledgebase of spider behavior. This database is used by the arachadmin and owlbuilder tools, found in my workspace (pmidford) on github. The development of this database and accompanying tools is blogged here: http://arachnolingua.wordpress.com/.
DOI: 10.6084/m9.figshare.865637
title: Web Table 1. Free energy profile of the uncatalysed model cycloaddition reaction

description: Two complementary catalytic systems are reported for the 1,3-dipolar cycloaddition of azides and iodoalkynes. These are based on two commercially available/readily available copper complexes, [CuCl(IPr)] or [CuI(PPh3)3], which are active at low metal loadings and in the absence of any other additive (IPr system). These systems were used for the first reported mechanistic studies on this particular reaction. An experimental/computational-DFT approach allowed to establish that 1) some iodoalkynes might be prone to dehalogenation under copper catalysis conditions and, more importantly, 2) that two distinct mechanistic pathways are likely to be competitive with these catalysts; through a copper(III) metallacycle or via direct p-activation of the starting alkyne.
DOI: 10.6084/m9.figshare.865638.v1
title: Web Table 2. Free energy profile of the formation of iodotriazoles via a Cu(III) metallacycle pathway

description: Two complementary catalytic systems are reported for the 1,3-dipolar cycloaddition of azides and iodoalkynes. These are based on two commercially available/readily available copper complexes, [CuCl(IPr)] or [CuI(PPh3)3], which are active at low metal loadings and in the absence of any other additive (IPr system). These systems were used for the first reported mechanistic studies on this particular reaction. An experimental/computational-DFT approach allowed to establish that 1) some iodoalkynes might be prone to dehalogenation under copper catalysis conditions and, more importantly, 2) that two distinct mechanistic pathways are likely to be competitive with these catalysts; through a copper(III) metallacycle or via direct p-activation of the starting alkyne.
DOI: 10.6084/m9.figshare.865628
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865629
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865630
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865719.v7
title: Arachadmin database export

description: This is a mysql export of a database used by the arachnolingua knowledgebase of spider behavior. This database is used by the arachadmin and owlbuilder tools, found in my workspace (pmidford) on github. The development of this database and accompanying tools is blogged here: http://arachnolingua.wordpress.com/.
DOI: 10.6084/m9.figshare.865629.v1
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865630.v1
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865637.v2
title: Catalytic and Mechanistic Studies of N-Heterocyclic Carbene or Phosphine-Containing Copper(I) Complexes for the Synthesis of 5-Iodo-1,2,3-Triazoles

description: Two complementary catalytic systems are reported for the 1,3-dipolar cycloaddition of azides and iodoalkynes. These are based on two commercially available/readily available copper complexes, [CuCl(IPr)] or [CuI(PPh3)3], which are active at low metal loadings and in the absence of any other additive (IPr system). These systems were used for the first reported mechanistic studies on this particular reaction. An experimental/computational-DFT approach allowed to establish that 1) some iodoalkynes might be prone to dehalogenation under copper catalysis conditions and, more importantly, 2) that two distinct mechanistic pathways are likely to be competitive with these catalysts; through a copper(III) metallacycle or via direct p-activation of the starting alkyne.
DOI: 10.6084/m9.figshare.865624
title: Gaussian Job Archive for C19H16O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865625
title: Gaussian Job Archive for C19H16O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865626
title: Le Monogène qui a perdu ses pinces

description: <strong>Le Monogène qui a perdu ses pinces</strong> <em>Traduction en français du résumé de l’article :</em> <strong>The Monogenean which lost its clamps</strong> PLoS One, 2013, 8(11): e79155. (publié le 22 novembre 2013) http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0079155doi: 10.1371/journal.pone.0079155 http://dx.doi.org/10.1371/journal.pone.0079155PubMed : http://www.ncbi.nlm.nih.gov/pubmed/24278118 Résumé Les ectoparasites sont confrontés à un défi quotidien : rester attachés à leurs hôtes. Les Monogènes Polyopisthocotylea s’attachent généralement à la surface des branchies des poissons à l'aide de structures hautement spécialisées, les pinces sclérifiées. Dans la description originale de l'espèce de Protomicrocotylidae <em>Lethacotyle fijiensis</em>, il y a 60 ans, les pinces ont été considérées comme absentes, mais peu de spécimens étaient disponibles et cette observation a été plus tard mise en question. En outre, les genres au sein de la famille Protomicrocotylidae ont des pinces soit du type « Gastrocotylidae », soit du type « Microcotylidae » ; cela rendait perplexes les systématiciens parce que ces types de pinces sont caractéristiques de groupes majeurs et distincts. La découverte d'un autre espèce, nouvelle, du genre <em>Lethacotyle</em>, nous a permis d'explorer la nature des structures de fixation chez les Protomicrocotylidae. <em>Lethacotyle vera</em> n. sp. est décrite des branchies de <em>Caranx papuensis</em>, une carangue de Nouvelle-Calédonie. Elle se distingue de <em>Lethacotyle fijiensis</em>, la seule autre espèce du genre, par la longueur des épines copulatrices mâles. Des séquences de l’ADNr 28S ont été utilisées pour construire un arbre, dans lequel <em>Lethacotyle vera</em> était groupée avec d'autres Protomicrocotylidae. L'identité du poisson hôte a été confirmée par des barcodes COI. Nous avons constaté que les Protomicrocotylidae ont des structures spécialisées associées à leur organe de fixation, telles que des volets latéraux et des stries transversales, qui ne sont pas connues chez d'autres Monogènes. Nous avons donc émis l'hypothèse que les pinces, chez les Protomicrocotylidae, ont été perdues de manière séquentielle au cours de l'évolution, ce qui a coïncidé avec le développement d'autres structures de fixation. Pour tester cette hypothèse, nous avons calculé la surface des pinces et du corps de 120 espèces de Monogènes Gastrocotylinea, à partir de descriptions publiées. Le plus bas rapport de la surface des pinces sur la surface du corps était chez les Protomicrocotylidae. Nous concluons que les pinces des Protomicrocotylidae sont des organes vestigiaux, et que la présence de pinces du type « Microcotylidae » et du type plus simple « Gastrocotylidae » dans la même famille sont des étapes dans une séquence évolutive, qui a conduit à l'absence de ces attributs chez les espèces de <em>Lethacotyle</em>.
DOI: 10.6084/m9.figshare.865627
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865628.v1
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865624.v1
title: Gaussian Job Archive for C19H16O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865626.v1
title: Le Monogène qui a perdu ses pinces

description: <strong>Le Monogène qui a perdu ses pinces</strong> <em>Traduction en français du résumé de l’article :</em> <strong>The Monogenean which lost its clamps</strong> PLoS One, 2013, 8(11): e79155. (publié le 22 novembre 2013) http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0079155doi: 10.1371/journal.pone.0079155 http://dx.doi.org/10.1371/journal.pone.0079155PubMed : http://www.ncbi.nlm.nih.gov/pubmed/24278118 Résumé Les ectoparasites sont confrontés à un défi quotidien : rester attachés à leurs hôtes. Les Monogènes Polyopisthocotylea s’attachent généralement à la surface des branchies des poissons à l'aide de structures hautement spécialisées, les pinces sclérifiées. Dans la description originale de l'espèce de Protomicrocotylidae <em>Lethacotyle fijiensis</em>, il y a 60 ans, les pinces ont été considérées comme absentes, mais peu de spécimens étaient disponibles et cette observation a été plus tard mise en question. En outre, les genres au sein de la famille Protomicrocotylidae ont des pinces soit du type « Gastrocotylidae », soit du type « Microcotylidae » ; cela rendait perplexes les systématiciens parce que ces types de pinces sont caractéristiques de groupes majeurs et distincts. La découverte d'un autre espèce, nouvelle, du genre <em>Lethacotyle</em>, nous a permis d'explorer la nature des structures de fixation chez les Protomicrocotylidae. <em>Lethacotyle vera</em> n. sp. est décrite des branchies de <em>Caranx papuensis</em>, une carangue de Nouvelle-Calédonie. Elle se distingue de <em>Lethacotyle fijiensis</em>, la seule autre espèce du genre, par la longueur des épines copulatrices mâles. Des séquences de l’ADNr 28S ont été utilisées pour construire un arbre, dans lequel <em>Lethacotyle vera</em> était groupée avec d'autres Protomicrocotylidae. L'identité du poisson hôte a été confirmée par des barcodes COI. Nous avons constaté que les Protomicrocotylidae ont des structures spécialisées associées à leur organe de fixation, telles que des volets latéraux et des stries transversales, qui ne sont pas connues chez d'autres Monogènes. Nous avons donc émis l'hypothèse que les pinces, chez les Protomicrocotylidae, ont été perdues de manière séquentielle au cours de l'évolution, ce qui a coïncidé avec le développement d'autres structures de fixation. Pour tester cette hypothèse, nous avons calculé la surface des pinces et du corps de 120 espèces de Monogènes Gastrocotylinea, à partir de descriptions publiées. Le plus bas rapport de la surface des pinces sur la surface du corps était chez les Protomicrocotylidae. Nous concluons que les pinces des Protomicrocotylidae sont des organes vestigiaux, et que la présence de pinces du type « Microcotylidae » et du type plus simple « Gastrocotylidae » dans la même famille sont des étapes dans une séquence évolutive, qui a conduit à l'absence de ces attributs chez les espèces de <em>Lethacotyle</em>.
DOI: 10.6084/m9.figshare.865627.v1
title: Gaussian Job Archive for C15H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865719.v8
title: Arachadmin database export

description: This is a mysql export of a database used by the arachnolingua knowledgebase of spider behavior. This database is used by the arachadmin and owlbuilder tools, found in my workspace (pmidford) on github. The development of this database and accompanying tools is blogged here: http://arachnolingua.wordpress.com/.
DOI: 10.6084/m9.figshare.865621
title: Brain of the sheep

description: STL-Model of the sheep's brain derived from a T2 MRI dataset.
DOI: 10.6084/m9.figshare.865622
title: Gaussian Job Archive for C11H12O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865625.v1
title: Gaussian Job Archive for C19H16O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865618
title: Refleksje na temat pracy: Analiza finansowa ekonomicznej kondycji na przykładzie polskich instytucji autorstwa M. Bąk, M. Kobryń-Król, A. Zaskórska

description: Przedmiotem niniejszej recenzji jest praca, w której dokonano analizy kondycji finansowej trzech polskich przedsiębiorstw za pomocą modelu J. Zietlowa. Autorki prezentują praktyczne zastosowanie wspomnianego podejścia w ocenie takich obszarów działalności firm jak płynność, elastyczność czy wypłacalność, co w ostatecznych rozrachunku przełożyć się ma na ostateczny wynik - Financial Health Index.
DOI: 10.6084/m9.figshare.865622.v1
title: Gaussian Job Archive for C11H12O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865615
title: Gaussian Job Archive for C15H20O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865617
title: Gaussian Job Archive for C11H12O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865719.v9
title: Arachadmin database export

description: This is a mysql export of a database used by the arachnolingua knowledgebase of spider behavior. This database is used by the arachadmin and owlbuilder tools, found in my workspace (pmidford) on github. The development of this database and accompanying tools is blogged here: http://arachnolingua.wordpress.com/.
DOI: 10.6084/m9.figshare.865617.v1
title: Gaussian Job Archive for C11H12O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865618.v2
title: Refleksje na temat pracy: Analiza finansowa ekonomicznej kondycji na przykładzie polskich instytucji autorstwa M. Bąk, M. Kobryń-Król, A. Zaskórska

description: Przedmiotem niniejszej recenzji jest praca, w której dokonano analizy kondycji finansowej trzech polskich przedsiębiorstw za pomocą modelu J. Zietlowa. Autorki prezentują praktyczne zastosowanie wspomnianego podejścia w ocenie takich obszarów działalności firm jak płynność, elastyczność czy wypłacalność, co w ostatecznych rozrachunku przełożyć się ma na ostateczny wynik - Financial Health Index.
DOI: 10.6084/m9.figshare.865615.v1
title: Gaussian Job Archive for C15H20O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865719.v10
title: Arachadmin database export

description: This is a mysql export of a database used by the arachnolingua knowledgebase of spider behavior. This database is used by the arachadmin and owlbuilder tools, found in my workspace (pmidford) on github. The development of this database and accompanying tools is blogged here: http://arachnolingua.wordpress.com/.
DOI: 10.6084/m9.figshare.865612
title: Gaussian Job Archive for C15H20O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865614
title: Gaussian Job Archive for C18H18O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865618.v1
title: Refleksje na temat pracy Analiza finansowa ekonomicznej kondycji na przykładzie polskich instytucji autorstwa M. Bąk, M. Kobryń-Król, A. Zaskórska

description: Przedmiotem niniejszej recenzji jest praca, w której dokonano analizy kondycji finansowej trzech polskich przedsiębiorstw za pomocą modelu J. Zietlowa. Autorki prezentują praktyczne zastosowanie wspomnianego podejścia w ocenie takich obszarów działalności firm jak płynność, elastyczność czy wypłacalność, co w ostatecznych rozrachunku przełożyć się ma na ostateczny wynik - Financial Health Index.
DOI: 10.6084/m9.figshare.865719.v11
title: Arachadmin database export

description: This is a mysql export of a database used by the arachnolingua knowledgebase of spider behavior. This database is used by the arachadmin and owlbuilder tools, found in my workspace (pmidford) on github. The development of this database and accompanying tools is blogged here: http://arachnolingua.wordpress.com/.
DOI: 10.6084/m9.figshare.865719.v12
title: Arachadmin database export

description: This is a mysql export of a database used by the arachnolingua knowledgebase of spider behavior. This database is used by the arachadmin and owlbuilder tools, found in my workspace (pmidford) on github. The development of this database and accompanying tools is blogged here: http://arachnolingua.wordpress.com/.
DOI: 10.6084/m9.figshare.865610
title: Gaussian Job Archive for C10H12

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865612.v1
title: Gaussian Job Archive for C15H20O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865614.v1
title: Gaussian Job Archive for C18H18O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865606
title: Gaussian Job Archive for C10H12

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865607
title: Gaussian Job Archive for C10H12

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865608
title: Gaussian Job Archive for C18H18O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865607.v1
title: Gaussian Job Archive for C10H12

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865608.v1
title: Gaussian Job Archive for C18H18O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865610.v1
title: Gaussian Job Archive for C10H12

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865606.v1
title: Gaussian Job Archive for C10H12

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865035
title: Model of adult Aedes albopictus survival/mortality at different temperatures

description: This file contains a model of adult <em>Aedes albopictus</em> mortality in the field over a range of different temperatures. The output is the result of applying a Generalised Additive Model (GAM) to over 200 <em>Ae.</em><em></em> <em>albopictus</em> survival experiments at a range of different temperatures. Full details are available in a manuscript currently under review at Parasites & Vectors titled: "Modelling adult Aedes aegypti and Aedes albopictus survival at different temperatures in laboratory and field settings". The file contains the predicted proportion of the population surviving over time (in days) at different temperatures (0.1-40 degrees celsius). In addition to this, the Interquartile range (IQR) of the prediction is also displayed and the hourly mortality at each time step is also included. The resulting models can be used to model survivorship of the adult stage of the mosquito in reference to various entomological and epidemiological events, such as oviposition, human biting and virus incubation period.
DOI: 10.6084/m9.figshare.865037
title: Gaussian Job Archive for C10H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865605
title: Gaussian Job Archive for C3H6O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865605.v1
title: Gaussian Job Archive for C3H6O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865033
title: Gaussian Job Archive for C10H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865034
title: Model of adult Aedes aegypti survival/mortality at different temperatures

description: This file contains a model of adult <em>Aedes aegypti</em> mortality in the field over a range of different temperatures. The output is the result of applying a Generalised Additive Model (GAM) to over 190 <em>Ae. aegypti</em> survival experiments at a range of different temperatures. Full details are available in a manuscript currently under review at Parasites & Vectors titled: "Modelling adult Aedes aegypti and Aedes albopictus survival at different temperatures in laboratory and field settings". The file contains the predicted proportion of the population surviving over time (in days) at different temperatures (0.1-40 degrees celsius). In addition to this, the Interquartile range (IQR) of the prediction is also displayed and the hourly mortality at each time step is also included. The resulting models can be used to model survivorship of the adult stage of the mosquito in reference to various entomological and epidemiological events, such as oviposition, human biting and virus incubation period.
DOI: 10.6084/m9.figshare.865037.v1
title: Gaussian Job Archive for C10H14O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865027
title: Gaussian Job Archive for C14H16O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865029
title: Gaussian Job Archive for C14H16O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.865030
title: Gaussian Job Archive for C14H16O

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.