cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1027357.v1
title: A new durophagous phocid (Mammalia: Carnivora) from the late Neogene of Peru and considerations on monachine seals phylogeny

description: Here we describe a new phocid, <i>Hadrokirus martini</i> gen. et sp. nov., from the Pisco Formation, in the locality of Sud-Sacaco (Late Miocene to Early Pliocene of Peru). This taxon is the third true seal described from this locality. It is characterized by strong dentition paired with a powerful masticatory musculature and a peculiar atlas. No precise diet is inferred here, but a propensity for durophagy and predation on large prey (such as the extant leopard seal, <i>Hydrurga leptonyx</i>) can be considered. A cladistic analysis including characters from the literature as well as original ones places <i>Hadrokirus</i> among lobodontines in a clade with <i>Piscophoca pacifica</i>, another phocid from the Pisco Formation. In addition, this analysis supports the monophyly of both Phocinae and Monachinae and recognizes a clade consisting of the four extant species of lobodontines, with <i>Acrophoca longirostris</i> (the third phocid from the Pisco Formation) as sister-group of this clade. All clades are supported by unambiguous non-homoplastic synapomorphies. Following the optimization, our analysis recognizes aquatic innovations as phocine reversions at the scale of Carnivora, or as convergences of monachines with non-phocid pinnipeds.http://zoobank.org/urn:lsid:zoobank.org:pub:A9884A4D-99C2-4CB0-BEE9-E2D2830481DD
DOI: 10.6084/m9.figshare.1027356.v2
title: A unique, Late Oligocene shrew-like marsupial from western Argentina and the evolution of dental morphology

description: We describe a new metatherian mammal, <i>Fieratherium sorex</i> gen. et sp. nov., found in western Argentina (Quebrada Fiera locality, southern Mendoza Province), in Late Oligocene deposits (Agua de la Piedra Formation, Deseadan age). The only known specimen is a juvenile with fragments of both dentaries, the right maxilla and a fragment of the left premaxilla with dentition. The loci and the number teeth preserved suggest a dental formula of I?3/i3, C1/c1, P3/p3, M?3/m?3. <i>Fieratherium sorex</i> has a convergent shrew-like appearance and a unique combination of features among metatherians and other South American mammals of Palaeogene age, including the well-known faunas of Patagonia. An analysis of its phylogenetic affinities suggests that <i>Fieratherium</i> is the sister-group of the Paucituberculata. As already described by other authors for several mammalian taxa, the mainly Patagonian South American Palaeogene fossil record offers little information to understanding the evolution of northern lineages. <i>Fieratherium</i> may represent a taxon belonging to a lineage that had its origin in Neotropical regions, so far unrecorded in the southern region of South America.http://zoobank.org/urn:lsid:zoobank.org:pub:5F6D3A50-6345-4E66-BE3E-7FEF6CC66A9B
DOI: 10.6084/m9.figshare.1027356.v1
title: A unique, Late Oligocene shrew-like marsupial from western Argentina and the evolution of dental morphology

description: We describe a new metatherian mammal, <i>Fieratherium sorex</i> gen. et sp. nov., found in western Argentina (Quebrada Fiera locality, southern Mendoza Province), in Late Oligocene deposits (Agua de la Piedra Formation, Deseadan age). The only known specimen is a juvenile with fragments of both dentaries, the right maxilla and a fragment of the left premaxilla with dentition. The loci and the number teeth preserved suggest a dental formula of I?3/i3, C1/c1, P3/p3, M?3/m?3. <i>Fieratherium sorex</i> has a convergent shrew-like appearance and a unique combination of features among metatherians and other South American mammals of Palaeogene age, including the well-known faunas of Patagonia. An analysis of its phylogenetic affinities suggests that <i>Fieratherium</i> is the sister-group of the Paucituberculata. As already described by other authors for several mammalian taxa, the mainly Patagonian South American Palaeogene fossil record offers little information to understanding the evolution of northern lineages. <i>Fieratherium</i> may represent a taxon belonging to a lineage that had its origin in Neotropical regions, so far unrecorded in the southern region of South America.http://zoobank.org/urn:lsid:zoobank.org:pub:5F6D3A50-6345-4E66-BE3E-7FEF6CC66A9B
DOI: 10.6084/m9.figshare.1026324
title: Met-enkephalin MD Trajectories

description: Ten ~50 ns molecular dynamics (MD) simulation trajectories of the 5 residue Met-enkaphalin peptide. The aggregate sampling is 499.58 ns. Simulations were performed starting from the 1st model in the 1PLX PDB file, solvated with 832 TIP3P water molecules using OpenMM 6.0. The coordinates (protein only -- the water was stripped) are saved every 5 picoseconds. Each of the ten trajectories is roughly 50 ns long and contains about 10,000 snapshots. Forcefield: amber99sb-ildn; water: tip3p; nonbonded method: PME; cutoffs: 1nm; bonds to hydrogen were constrained; integrator: langevin dynamics; temperature: 300K; friction coefficient: 1.0/ps; pressure control: Monte Carlo barostat (interval of 25 steps); timestep 2 fs.
DOI: 10.6084/m9.figshare.1026227
title: 2 sources/even strength

description: Current source density reconstructions for two sources of equal strength.
DOI: 10.6084/m9.figshare.1026224
title: 4 sources

description: Current source density reconstructions for four simulated sources of equal strength.
DOI: 10.6084/m9.figshare.1026225
title: 2 to 1 strength ratio

description: Current source density reconstructions for two sources of different strengths (one twice the strength of the other).
DOI: 10.6084/m9.figshare.1026226
title: 3 sources

description: Current source density reconstructions for three sources of equal strength.
DOI: 10.6084/m9.figshare.1026227.v1
title: 2 sources/even strength

description: Current source density reconstructions for two sources of equal strength.
DOI: 10.6084/m9.figshare.1026225.v1
title: 2 to 1 strength ratio

description: Current source density reconstructions for two sources of different strengths (one twice the strength of the other).
DOI: 10.6084/m9.figshare.1026221
title: 4 to 1 strength ratio

description: Current source density reconstructions for two sources of different strengths (one four times the strength of the other)
DOI: 10.6084/m9.figshare.1026223
title: 3 to 1 strength ratio

description: Current source density reconstructions for two sources of different strengths (one three times the strength of the other).
DOI: 10.6084/m9.figshare.1026226.v1
title: 3 sources

description: Current source density reconstructions for three sources of equal strength.
DOI: 10.6084/m9.figshare.1026220
title: simulated scalp recordings

description: Simulated EEG scalp recordings. Sources were clusters of 5 dipoles located at random locations on the cortex. "Large sources" can be added together to simulate a source over a larger area with 25 dipoles.
DOI: 10.6084/m9.figshare.1026224.v1
title: 4 source cdr

description: Current source density reconstructions for four sources of equal strength.
DOI: 10.6084/m9.figshare.1026220.v1
title: simulated scalp recordings

description: Simulated EEG scalp recordings. Sources were clusters of 5 dipoles located at random locations on the cortex. "Large sources" can be added together to simulate a source over a larger area with 25 dipoles.
DOI: 10.6084/m9.figshare.1026224.v3
title: 4 sources

description: Current source density reconstructions for four simulated sources of equal strength.
DOI: 10.6084/m9.figshare.1026142
title: one source

description: current source density reconstructions for EEG simulations with one source.
DOI: 10.6084/m9.figshare.1026221.v2
title: 4 to 1 strength ratio

description: Current source density reconstructions for two sources of different strengths (one four times the strength of the other)
DOI: 10.6084/m9.figshare.1026223.v1
title: cdr 3 to 1 ratio

description: Current source density reconstructions for two sources of different strengths (one three times the strength of the other).
DOI: 10.6084/m9.figshare.1026224.v2
title: 4 source current source density reconstruction

description: Current source density reconstructions for four simulated sources of equal strength.
DOI: 10.6084/m9.figshare.1026142.v2
title: one source

description: current source density reconstructions for EEG simulations with one source.
DOI: 10.6084/m9.figshare.1026131.v1
title: new fileset

description: dsdf
DOI: 10.6084/m9.figshare.1026142.v1
title: one source cdr

description: current source density reconstructions for EEG simulations with one source.
DOI: 10.6084/m9.figshare.1025947
title: Structures of microhydrated oxalate ion clusters

description: These are the structures reported in the paper: Rosas-García, Victor M., Isabel del Carmen Sáenz-Tavera, Verónica Janeth Rodríguez-Herrera, y Benjamín Raymundo Garza-Campos. “Microsolvation and Hydration Enthalpies of CaC2O4(H2O) N (n = 0-16) and C2O4 2-(H2O) N (n = 0-14): An Ab Initio Study”. Journal of Molecular Modeling 19, núm. 4 (el 1 de abril de 2013): 1459–71. doi:10.1007/s00894-012-1707-6. Please cite the above paper if you publish work based on these structures.
DOI: 10.6084/m9.figshare.1025947.v1
title: Structures of microhydrated oxalate ion clusters

description: These are the structures reported in the paper: Rosas-García, Victor M., Isabel del Carmen Sáenz-Tavera, Verónica Janeth Rodríguez-Herrera, y Benjamín Raymundo Garza-Campos. “Microsolvation and Hydration Enthalpies of CaC2O4(H2O) N (n = 0-16) and C2O4 2-(H2O) N (n = 0-14): An Ab Initio Study”. Journal of Molecular Modeling 19, núm. 4 (el 1 de abril de 2013): 1459–71. doi:10.1007/s00894-012-1707-6. Please cite the above paper if you publish work based on these structures.
DOI: 10.6084/m9.figshare.1026131.v2
title: MD simulations of ALA2

description: Using OpenMM
DOI: 10.6084/m9.figshare.1026131.v3
title: MD trajectories of ALA2 (fileset)

description: Using OpenMM
DOI: 10.6084/m9.figshare.1026131.v4
title: MD trajectories of ALA2 (fileset)

description: Using OpenMM
DOI: 10.6084/m9.figshare.1026131.v5
title: MD trajectories of ALA2 (fileset)

description: Using OpenMM
DOI: 10.6084/m9.figshare.1026131.v6
title: MD trajectories of ALA2 (fileset)

description: Using OpenMM
DOI: 10.6084/m9.figshare.1026131.v7
title: MD trajectories of ALA2 (fileset)

description: Using OpenMM
DOI: 10.6084/m9.figshare.1025860
title: Gaussian Job Archive for C4F14S2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1025860.v1
title: Gaussian Job Archive for C4F14S2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1025851
title: Synthesis and Complexing Properties of Phosphorus-Substituted Pyridine-2-Carboxylic Acid Anilides

description: Novel phosphorus-containing ligands have been synthesized by the condensation of 2-(thio)phosphorylated anilines with 2,6-dichloro- and 4-chloropyridine-2-carbonyl chlorides in the presence of Et<sub>3</sub>N and unsubstituted pyridine-2-carboxylic acid using P(OPh)<sub>3</sub> as a coupling agent. The compounds derived readily form complexes with a range of transition metals (M=Re(I), Pd(II), and Cu(II)), serving as bi- or tridentate monoanionic ligands. The composition and structure of the resulting metallocycles depend both on the presence/amount of the Cl atoms in the pyridine ring and on the nature of the donor atom X in the P=X moiety. The novel compounds were characterized by multinuclear NMR and IR spectroscopy as well as X-ray crystallography.
DOI: 10.6084/m9.figshare.1025850
title: Effects of Increasing Child Restraint Use in Reducing Occupant Injuries Among Children Aged 0–5 Years in Japan

description: <b>Objectives:</b> In Japan, child restraint use among preschool children started to increase before compulsory child restraint use for children aged 0–5 years was introduced by legislation in April 2000. This study determined the effects of increased child restraint use in reducing motor vehicle occupant injuries among children aged 0–5 years.<b>Methods:</b> We obtained monthly police data of child vehicle occupant injuries from 1990 to 2009. We calculated monthly ratios of morbidity rates per population of children aged 0–5 years to those of children aged 6–9 years. Time trends of the morbidity rate ratios were analyzed using a joinpoint regression model to determine whether there were trend changes in child occupant injuries and when they occurred if there were trend changes.<b>Results:</b> The morbidity rate ratios showed a slightly increasing trend of 0.03% per month (95% confidence interval [CI], −0.02% to 0.09%) until the change-point in December 1997 (95% CI, July 1996 to January 1999), which then changed to a decreasing trend of −0.14% per month (95% CI, −0.16 to −0.11), with an overall trend change of −0.17% (95% CI, −0.23 to −0.11). No change-point was identified in or around April 2000 when compulsory restraint use was introduced.<b>Conclusions:</b> The present study used comparative indicators relative to age groups that were not covered by the legislation and showed that a decreasing trend of occupant morbidity among children aged 0–5 years started before the introduction of compulsory restraint use. This change probably reflects the prelegislative voluntary increase in child restraint use.
DOI: 10.6084/m9.figshare.1025849
title: Gaussian Job Archive for C4F14S2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1025849.v1
title: Gaussian Job Archive for C4F14S2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1025850.v1
title: Effects of increasing child restraint use in reducing occupant injuries among children aged 0–5 years in Japan

description: Objectives:In Japan, child restraint use among pre-school children started to increase before compulsory child restraint use for children aged 0–5 years was introduced by legislation in April 2000. This study determined the effects of increased child restraint use in reducing motor vehicle occupant injuries among children aged 0–5 years.Methods:We obtained monthly police data of child vehicle occupant injuries from 1990 to 2009. We calculated monthly ratios of morbidity rates per population of children aged 0–5 years to those of children aged 6–9 years. Time trends of the morbidity rate ratios were analyzed using a joinpoint regression model to determine whether there were trend changes in child occupant injuries and when they occurred if there were trend changes.Results:The morbidity rate ratios showed a slightly increasing trend of 0.03% per month (95% confidence interval [CI], −0.02% to 0.09%) until the change-point in December 1997 (95% CI, July 1996 to January 1999), which then changed to a decreasing trend of −0.14% per month (95% CI, −0.16 to −0.11), with an overall trend change of −0.17% (95% CI, −0.23 to −0.11). No change-point was identified in or around April 2000 when compulsory restraint use was introduced.Conclusions:The present study used comparative indicators relative to age groups that were not covered by the legislation, and showed that a decrease in trend of occupant morbidity among children aged 0–5 years started before the introduction of compulsory restraint use. This change probably reflects the pre-legislative voluntary increase in child restraint use.
DOI: 10.6084/m9.figshare.1025851.v2
title: Synthesis and Complexing Properties of Phosphorus-Substituted Pyridine-2-Carboxylic Acid Anilides

description: Novel phosphorus-containing ligands have been synthesized by the condensation of 2-(thio)phosphorylated anilines with 2,6-dichloro- and 4-chloropyridine-2-carbonyl chlorides in the presence of Et<sub>3</sub>N and unsubstituted pyridine-2-carboxylic acid using P(OPh)<sub>3</sub> as a coupling agent. The compounds derived readily form complexes with a range of transition metals (M=Re(I), Pd(II), and Cu(II)), serving as bi- or tridentate monoanionic ligands. The composition and structure of the resulting metallocycles depend both on the presence/amount of the Cl atoms in the pyridine ring and on the nature of the donor atom X in the P=X moiety. The novel compounds were characterized by multinuclear NMR and IR spectroscopy as well as X-ray crystallography.
DOI: 10.6084/m9.figshare.1025850.v3
title: Effects of Increasing Child Restraint Use in Reducing Occupant Injuries Among Children Aged 0–5 Years in Japan

description: <b>Objectives:</b> In Japan, child restraint use among preschool children started to increase before compulsory child restraint use for children aged 0–5 years was introduced by legislation in April 2000. This study determined the effects of increased child restraint use in reducing motor vehicle occupant injuries among children aged 0–5 years.<b>Methods:</b> We obtained monthly police data of child vehicle occupant injuries from 1990 to 2009. We calculated monthly ratios of morbidity rates per population of children aged 0–5 years to those of children aged 6–9 years. Time trends of the morbidity rate ratios were analyzed using a joinpoint regression model to determine whether there were trend changes in child occupant injuries and when they occurred if there were trend changes.<b>Results:</b> The morbidity rate ratios showed a slightly increasing trend of 0.03% per month (95% confidence interval [CI], −0.02% to 0.09%) until the change-point in December 1997 (95% CI, July 1996 to January 1999), which then changed to a decreasing trend of −0.14% per month (95% CI, −0.16 to −0.11), with an overall trend change of −0.17% (95% CI, −0.23 to −0.11). No change-point was identified in or around April 2000 when compulsory restraint use was introduced.<b>Conclusions:</b> The present study used comparative indicators relative to age groups that were not covered by the legislation and showed that a decreasing trend of occupant morbidity among children aged 0–5 years started before the introduction of compulsory restraint use. This change probably reflects the prelegislative voluntary increase in child restraint use.
DOI: 10.6084/m9.figshare.1025850.v2
title: Effects of Increasing Child Restraint Use in Reducing Occupant Injuries Among Children Aged 0–5 Years in Japan

description: <b>Objectives:</b> In Japan, child restraint use among preschool children started to increase before compulsory child restraint use for children aged 0–5 years was introduced by legislation in April 2000. This study determined the effects of increased child restraint use in reducing motor vehicle occupant injuries among children aged 0–5 years.<b>Methods:</b> We obtained monthly police data of child vehicle occupant injuries from 1990 to 2009. We calculated monthly ratios of morbidity rates per population of children aged 0–5 years to those of children aged 6–9 years. Time trends of the morbidity rate ratios were analyzed using a joinpoint regression model to determine whether there were trend changes in child occupant injuries and when they occurred if there were trend changes.<b>Results:</b> The morbidity rate ratios showed a slightly increasing trend of 0.03% per month (95% confidence interval [CI], −0.02% to 0.09%) until the change-point in December 1997 (95% CI, July 1996 to January 1999), which then changed to a decreasing trend of −0.14% per month (95% CI, −0.16 to −0.11), with an overall trend change of −0.17% (95% CI, −0.23 to −0.11). No change-point was identified in or around April 2000 when compulsory restraint use was introduced.<b>Conclusions:</b> The present study used comparative indicators relative to age groups that were not covered by the legislation and showed that a decreasing trend of occupant morbidity among children aged 0–5 years started before the introduction of compulsory restraint use. This change probably reflects the prelegislative voluntary increase in child restraint use.
DOI: 10.6084/m9.figshare.1025851.v3
title: Synthesis and Complexing Properties of Phosphorus-Substituted Pyridine-2-Carboxylic Acid Anilides

description: Novel phosphorus-containing ligands have been synthesized by the condensation of 2-(thio)phosphorylated anilines with 2,6-dichloro- and 4-chloropyridine-2-carbonyl chlorides in the presence of Et<sub>3</sub>N and unsubstituted pyridine-2-carboxylic acid using P(OPh)<sub>3</sub> as a coupling agent. The compounds derived readily form complexes with a range of transition metals (M=Re(I), Pd(II), and Cu(II)), serving as bi- or tridentate monoanionic ligands. The composition and structure of the resulting metallocycles depend both on the presence/amount of the Cl atoms in the pyridine ring and on the nature of the donor atom X in the P=X moiety. The novel compounds were characterized by multinuclear NMR and IR spectroscopy as well as X-ray crystallography.
DOI: 10.6084/m9.figshare.1025851.v5
title: Synthesis and Complexing Properties of Phosphorus-Substituted Pyridine-2-Carboxylic Acid Anilides

description: Novel phosphorus-containing ligands have been synthesized by the condensation of 2-(thio)phosphorylated anilines with 2,6-dichloro- and 4-chloropyridine-2-carbonyl chlorides in the presence of Et<sub>3</sub>N and unsubstituted pyridine-2-carboxylic acid using P(OPh)<sub>3</sub> as a coupling agent. The compounds derived readily form complexes with a range of transition metals (M=Re(I), Pd(II), and Cu(II)), serving as bi- or tridentate monoanionic ligands. The composition and structure of the resulting metallocycles depend both on the presence/amount of the Cl atoms in the pyridine ring and on the nature of the donor atom X in the P=X moiety. The novel compounds were characterized by multinuclear NMR and IR spectroscopy as well as X-ray crystallography.
DOI: 10.6084/m9.figshare.1025851.v4
title: Synthesis and Complexing Properties of Phosphorus-Substituted Pyridine-2-Carboxylic Acid Anilides

description: Novel phosphorus-containing ligands have been synthesized by the condensation of 2-(thio)phosphorylated anilines with 2,6-dichloro- and 4-chloropyridine-2-carbonyl chlorides in the presence of Et<sub>3</sub>N and unsubstituted pyridine-2-carboxylic acid using P(OPh)<sub>3</sub> as a coupling agent. The compounds derived readily form complexes with a range of transition metals (M=Re(I), Pd(II), and Cu(II)), serving as bi- or tridentate monoanionic ligands. The composition and structure of the resulting metallocycles depend both on the presence/amount of the Cl atoms in the pyridine ring and on the nature of the donor atom X in the P=X moiety. The novel compounds were characterized by multinuclear NMR and IR spectroscopy as well as X-ray crystallography.
DOI: 10.6084/m9.figshare.1025812
title: Structures of microhydrated calcium thiosulfate clusters and thiosulfate ion clusters.

description: Structures of clusters of microhydrated thiosulfate ion, and calcium thiosulfate, calculated at the RHF/6-31G* level of theory. These are the structures reported in Rosas-García, Victor M., Isabel del Carmen Sáenz-Tavera, María del Rosario Rojas-Unda. “Microsolvation and Hydration Enthalpies of CaS2O3(H2O) N (n = 0–19) and S2O3 2−(H2O) N (n = 0–16): An Ab Initio Study”. Journal of Molecular Modeling 21, núm. 4 (el 28 de marzo de 2015): 1–9. doi:10.1007/s00894-015-2638-9. Please cite the paper if you publish work based on these structures.
DOI: 10.6084/m9.figshare.1025812.v1
title: Structures of microhydrated calcium thiosulfate clusters and thiosulfate ion clusters.

description: Structures of clusters of microhydrated thiosulfate ion, and calcium thiosulfate, calculated at the RHF/6-31G* level of theory. These are the structures reported in Rosas-García, Victor M., Isabel del Carmen Sáenz-Tavera, María del Rosario Rojas-Unda. “Microsolvation and Hydration Enthalpies of CaS2O3(H2O) N (n = 0–19) and S2O3 2−(H2O) N (n = 0–16): An Ab Initio Study”. Journal of Molecular Modeling 21, núm. 4 (el 28 de marzo de 2015): 1–9. doi:10.1007/s00894-015-2638-9. Please cite the paper if you publish work based on these structures.