cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6302851
title: GAP interatomic potential for gold

description: <strong>Gaussian approximation potential</strong> (GAP) for <strong>gold</strong> [1]. It has been fitted with <strong>QUIP/GAP </strong>[1,2] by generating a new database of atomic structures containing: dimers; fcc, bcc, hcp and simple-cubic supercells, including strained, distorted and high-temperature configurations; surface slabs; clusters. The calculations were carried out at the <strong>PBE</strong> level of theory [3] using the VASP code [4,5]. This potential uses <strong>2-body</strong> (distance_2b) and <strong>SOAP-type descriptors</strong> (soap_turbo) [6,7], as implemented in the <strong>TurboGAP</strong> code [8]. The files can be used both with QUIP/GAP (compiled with the soap_turbo libraries) and TurboGAP. When using this potential, please read and cite: <strong>J. Kloppenburg, A. Pedersen, K. Laasonen, M. A. Caro, and H. Jónsson</strong> "Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426" Nanoscale 14, 9053 (2022) <strong>References</strong> A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010). LibAtoms: https://libatoms.github.io J.P. Perdew, K. Burke and M. Ernzerhof. Phys. Rev. Lett. 77, 3865 (1996). VASP: http://vasp.at G. Kresse and J. Furthmüller. Phys. Rev. B 54, 11169 (1996). A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013). M.A. Caro. Phys. Rev. B 100, 024112 (2019). TurboGAP: http://turbogap.fi
DOI: 10.5281/zenodo.6302852
title: GAP interatomic potential for gold

description: <strong>Gaussian approximation potential</strong> (GAP) for <strong>gold</strong> [1]. It has been fitted with <strong>QUIP/GAP </strong>[1,2] by generating a new database of atomic structures containing: dimers; fcc, bcc, hcp and simple-cubic supercells, including strained, distorted and high-temperature configurations; surface slabs; clusters. The calculations were carried out at the <strong>PBE</strong> level of theory [3] using the VASP code [4,5]. This potential uses <strong>2-body</strong> (distance_2b) and <strong>SOAP-type descriptors</strong> (soap_turbo) [6,7], as implemented in the <strong>TurboGAP</strong> code [8]. The files can be used both with QUIP/GAP (compiled with the soap_turbo libraries) and TurboGAP. When using this potential, please read and cite: <strong>J. Kloppenburg, A. Pedersen, K. Laasonen, M. A. Caro, and H. Jónsson</strong> "Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426" Nanoscale 14, 9053 (2022) <strong>References</strong> A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010). LibAtoms: https://libatoms.github.io J.P. Perdew, K. Burke and M. Ernzerhof. Phys. Rev. Lett. 77, 3865 (1996). VASP: http://vasp.at G. Kresse and J. Furthmüller. Phys. Rev. B 54, 11169 (1996). A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013). M.A. Caro. Phys. Rev. B 100, 024112 (2019). TurboGAP: http://turbogap.fi
DOI: 10.6084/m9.figshare.20239056
title: Variación intraespecífica de <i>Carollia brevicaudum</i> y <i>Carollia perspicillata</i> (Phyllostomidae: Chiroptera) de Perú y Ecuador

description: Los murciélagos colicortos <i>Carollia brevicaudum</i> y <i>C. perspicillata</i> son dos de las especies de filostómidos más abundantes y ampliamente distribuidos en el Neotrópico. Debido a esto, diversos autores han encontrado variación intraespecífica a lo largo de su distribución, principalmente en tamaño corporal y coloración. Dado a que no hay un consenso en la magnitud de la variación intraespecífica, en este estudio evaluamos los patrones de variación de siete poblaciones de <i>C. brevicaudum</i> (n = 185) y <i>C. perspicillata</i> (n = 190) de poblaciones de Perú y Ecuador. Las poblaciones se delimitaron en base a las principales cuencas, río Amazonas y Andes. Se emplearon 26 medidas cráneo-mandibulares y se aplicaron análisis univariados, multivariados y de conglomerados. Nuestros resultados sugieren que hay diferencias morfométricas significativas entre determinados pares de poblaciones de ambas especies, pero ninguna es soportada consistentemente por todos los análisis. La amplia superposición de las poblaciones evaluadas en ambas especies sugiere una complejidad morfológica no relacionada con las geografías evaluadas.
DOI: 10.6084/m9.figshare.20239056.v1
title: Variación intraespecífica de <i>Carollia brevicaudum</i> y <i>Carollia perspicillata</i> (Phyllostomidae: Chiroptera) de Perú y Ecuador

description: Los murciélagos colicortos <i>Carollia brevicaudum</i> y <i>C. perspicillata</i> son dos de las especies de filostómidos más abundantes y ampliamente distribuidos en el Neotrópico. Debido a esto, diversos autores han encontrado variación intraespecífica a lo largo de su distribución, principalmente en tamaño corporal y coloración. Dado a que no hay un consenso en la magnitud de la variación intraespecífica, en este estudio evaluamos los patrones de variación de siete poblaciones de <i>C. brevicaudum</i> (n = 185) y <i>C. perspicillata</i> (n = 190) de poblaciones de Perú y Ecuador. Las poblaciones se delimitaron en base a las principales cuencas, río Amazonas y Andes. Se emplearon 26 medidas cráneo-mandibulares y se aplicaron análisis univariados, multivariados y de conglomerados. Nuestros resultados sugieren que hay diferencias morfométricas significativas entre determinados pares de poblaciones de ambas especies, pero ninguna es soportada consistentemente por todos los análisis. La amplia superposición de las poblaciones evaluadas en ambas especies sugiere una complejidad morfológica no relacionada con las geografías evaluadas.
DOI: 10.6084/m9.figshare.20311109
title: Integrating biochemical and behavioral approaches to develop a bait to manage the invasive yellow paper wasp <i>Polistes versicolor</i> (Hymenoptera, Vespidae) in the Galápagos Islands

description: It is estimated that more than 500 species of insects have been introduced to the Galápagos Islands via human activities. One of these insect invaders is the yellow paper wasp, <i>Polistes versicolor</i> (Olivier) (Hymenoptera: Vespidae), a social wasp native to continental South America. In Galápagos, these wasps are voracious predators of insect larvae, compete with native species for insect prey or for floral resources and are a human nuisance. Wasp suppression methods currently in use are inefficient and attract non-target species, calling for the development of species-specific attractants that can be used in baits to lure and kill wasps. To evaluate the potential for using wasp semiochemicals in baits, we determined the biochemical composition of the head, thorax, Dufour’s and venom glands of <i>P. versicolor</i> foragers via gas chromatography/mass spectrometry (GC/MS). Male and female wasps were tested for behavioral responses to body segment extracts from both sexes. Female body extracts consistently elicited more behavioral responses in both male and female wasps than male extracts. Females reacted to female head, thorax and abdomen (the Dufour’s and venom glands are located in the abdomen) extracts, whereas males reacted significantly to female head and thorax extracts. One male body extract, the head, elicited two significant behaviors: female wasps groomed more often, and males touched the filter paper more often compared to the blank control. Head extracts consistently changed the behavior of female and male wasps and, together with female thorax extracts, have potential as species-specific lures for yellow paper wasps. Heads were mainly composed of hydrocarbon lipids and oleamide, a ligand for odorant-binding proteins. The thorax consisted of fatty aldehydes, long-chain alkanes and fatty amide lipids. Field trials of blends of these compounds in high wasp density areas of Galápagos are the next step to confirm if any of these compounds are attractive to <i>P. versicolor</i>. The yellow paper wasp, <i>Polistes versicolor</i>, is an invasive species in the Galápagos Islands. In addition to its ecological impact, this wasp is a nuisance to residents and visitors alike as they affect tourism and activities in human settlements. We studied the biochemical composition and behavior of <i>P. versicolor</i> wasps to find attractants (sex or aggregation pheromones) useful for developing baits or lures to control this pest. Panel <b>a</b> shows a <i>P. versicolor</i> nest built alongside a touristic trail, Garrapatero beach, Santa Cruz Island, Galápagos. Panel <b>b</b> shows the location of the glands and body parts analyzed. Panel <b>c</b> shows a pan trap filled with soapy water, one of the only control methods currently in use in the Galápagos Islands.
DOI: 10.6084/m9.figshare.20311109.v1
title: Integrating biochemical and behavioral approaches to develop a bait to manage the invasive yellow paper wasp <i>Polistes versicolor</i> (Hymenoptera, Vespidae) in the Galápagos Islands

description: It is estimated that more than 500 species of insects have been introduced to the Galápagos Islands via human activities. One of these insect invaders is the yellow paper wasp, <i>Polistes versicolor</i> (Olivier) (Hymenoptera: Vespidae), a social wasp native to continental South America. In Galápagos, these wasps are voracious predators of insect larvae, compete with native species for insect prey or for floral resources and are a human nuisance. Wasp suppression methods currently in use are inefficient and attract non-target species, calling for the development of species-specific attractants that can be used in baits to lure and kill wasps. To evaluate the potential for using wasp semiochemicals in baits, we determined the biochemical composition of the head, thorax, Dufour’s and venom glands of <i>P. versicolor</i> foragers via gas chromatography/mass spectrometry (GC/MS). Male and female wasps were tested for behavioral responses to body segment extracts from both sexes. Female body extracts consistently elicited more behavioral responses in both male and female wasps than male extracts. Females reacted to female head, thorax and abdomen (the Dufour’s and venom glands are located in the abdomen) extracts, whereas males reacted significantly to female head and thorax extracts. One male body extract, the head, elicited two significant behaviors: female wasps groomed more often, and males touched the filter paper more often compared to the blank control. Head extracts consistently changed the behavior of female and male wasps and, together with female thorax extracts, have potential as species-specific lures for yellow paper wasps. Heads were mainly composed of hydrocarbon lipids and oleamide, a ligand for odorant-binding proteins. The thorax consisted of fatty aldehydes, long-chain alkanes and fatty amide lipids. Field trials of blends of these compounds in high wasp density areas of Galápagos are the next step to confirm if any of these compounds are attractive to <i>P. versicolor</i>. The yellow paper wasp, <i>Polistes versicolor</i>, is an invasive species in the Galápagos Islands. In addition to its ecological impact, this wasp is a nuisance to residents and visitors alike as they affect tourism and activities in human settlements. We studied the biochemical composition and behavior of <i>P. versicolor</i> wasps to find attractants (sex or aggregation pheromones) useful for developing baits or lures to control this pest. Panel <b>a</b> shows a <i>P. versicolor</i> nest built alongside a touristic trail, Garrapatero beach, Santa Cruz Island, Galápagos. Panel <b>b</b> shows the location of the glands and body parts analyzed. Panel <b>c</b> shows a pan trap filled with soapy water, one of the only control methods currently in use in the Galápagos Islands.
DOI: 10.6084/m9.figshare.19433678
title: Use of artificial nest boxes by two species of small, arboreal mammals in ecuadorian tropical dry forest

description: The nest structure of two species of small mammals, <i>Marmosa simonsi</i> and <i>Rhipidomys latimanus</i> were recorded for the first time. Nests were found inside artificial nest boxes in a tropical dry forest remnant ecosystem in Western Ecuador. We described the nests and categorized them as rearing nest, permanent resting nest and transient refuge, depending on their intended use. Artificial nest boxes provide an optimal place for pup rearing and resting for these small mammals. These nest sites can be useful for ecological studies of behavior and habits of elusive, poorly-known mammalian species.
DOI: 10.6084/m9.figshare.19433678.v1
title: Use of artificial nest boxes by two species of small, arboreal mammals in Ecuadorian tropical dry forest

description: We record, for the first time, the nest structure of two species of small, non-volant mammals, <i>Marmosa simonsi</i> and <i>Rhipidomys latinamus</i>, inside artificial nest boxes in a dry forest ecosystem of Western Ecuador. We describe the nests and categorized them as rearing nest, permanent resting nest and transient refuge, depending on their intended use. Artificial nest boxes provide an optimal place for pup rearing and resting for small mammals, and they can be useful for ecological studies of elusive, poorly-known mammalian species.
DOI: 10.6084/m9.figshare.19433678.v2
title: Use of artificial nest boxes by two species of small, arboreal mammals in ecuadorian tropical dry forest

description: The nest structure of two species of small mammals, <i>Marmosa simonsi</i> and <i>Rhipidomys latimanus</i> were recorded for the first time. Nests were found inside artificial nest boxes in a tropical dry forest remnant ecosystem in Western Ecuador. We described the nests and categorized them as rearing nest, permanent resting nest and transient refuge, depending on their intended use. Artificial nest boxes provide an optimal place for pup rearing and resting for these small mammals. These nest sites can be useful for ecological studies of behavior and habits of elusive, poorly-known mammalian species.
DOI: 10.6073/pasta/b43072ec4b5dbf1f069983e3d5d36a1b
title: Fluxes of Carbonyl Sulfide at Harvard Forest EMS Tower since 2010

description: Carbonyl sulfide (OCS), the most abundant sulfur compound in the atmosphere, controls the sulfur budget and aerosol loading of the stratosphere in times of low volcanic activity. OCS is also closely tied to the vegetative carbon cycle and may provide an independent measure of the photosynthetic uptake of carbon. However, the detailed nature of the biogeochemical cycling of OCS throughout the seasons in terrestrial ecosystems has not been thoroughly explored. We measured the seasonal response of the ecosystem flux of OCS above a deciduous temperate forest using an infrared laser absorption spectrometer at Harvard Forest (MA, USA) in 2011. Fluxes were calculated using two complementary approaches: gradient – flux (also known as flux – gradient; January – July, 2011) and eddy covariance flux (August – December, 2011), which agreed within the combined error for a period with both measurements. Strong uptake of OCS by the forest was observed during most of the growing season, but significant uptake also occurred when the deciduous leaves were not present. A strong diel cycle of mid-day OCS uptake was observed in May/June and August/September, consistent with OCS uptake by processes parallel to CO2 photosynthetic uptake, at the ecosystem scale, for these months. The results show that while overall OCS and CO2 both show evidence of vegetative uptake, the OCS flux cannot be explained by this process alone and the relationship between OCS and CO2 changes throughout the year above this mixed deciduous forest. The data imply that terrestrial uptake of OCS, and hence the stratospheric sulfur cycle, are potentially quite sensitive to extremes in temperature and soil moisture.
DOI: 10.17028/rd.lboro.21461949
title: Supplementary information files for: The associations of maternal and paternal obesity with latent patterns of offspring BMI development between 7-17 years of age: pooled analyses of cohorts born in 1958 and 2001 in the United Kingdom

description: <strong>Supplementary information files for: The associations of maternal and paternal obesity with latent patterns of offspring BMI development between 7-17 years of age: pooled analyses of cohorts born in 1958 and 2001 in the United Kingdom</strong> Objective We aimed to 1) describe how the UK obesity epidemic reflects a change over time in the proportion of the population demonstrating adverse latent patterns of BMI development and 2) investigate the potential roles of maternal and paternal BMI in this secular process. Methods We used serial BMI data between 7-17 years of age from 13220 boys and 12711 girls. Half the sample was born in 1958 and half in 2001. Sex-specific growth mixture models were developed. The relationships of maternal and paternal BMI and weight status with class membership were estimated using the 3-step BCH approach, with covariate adjustment. Results The selected models had five classes. For each sex, in addition to the two largest normal weight classes, there were “normal weight increasing to overweight” (17% of boys and 20% of girls), “overweight increasing to obesity” (8% and 6%), and “overweight decreasing to normal weight” (3% and 6%) classes. More than 1-in-10 children from the 2001 birth cohort were in the “overweight increasing to obesity” class, compared to less than 1-in-30 from the 1958 birth cohort. Approximately 75% of the mothers and fathers of this class had overweight or obesity. When considered together, both maternal and paternal BMI were associated with latent class membership, with evidence of negative departure from additivity (i.e., the combined effect of maternal and paternal BMI was smaller than the sum of the individual effects). The odds of a girl belonging to the “overweight increasing to obesity” class (compared to the largest normal weight class) was 13.11 (8.74, 19.66) times higher if both parents had overweight or obesity (compared to both parents having normal weight); the equivalent estimate for boys was 9.01 (6.37, 12.75). Conclusions The increase in obesity rates in the UK over more than 40 years has been partly driven by the growth of a sub-population demonstrating excess BMI gain during adolescence. Our results implicate both maternal and paternal BMI as correlates of this secular process.
DOI: 10.17028/rd.lboro.21461949.v1
title: Supplementary information files for: The associations of maternal and paternal obesity with latent patterns of offspring BMI development between 7-17 years of age: pooled analyses of cohorts born in 1958 and 2001 in the United Kingdom

description: <strong>Supplementary information files for: The associations of maternal and paternal obesity with latent patterns of offspring BMI development between 7-17 years of age: pooled analyses of cohorts born in 1958 and 2001 in the United Kingdom</strong> Objective We aimed to 1) describe how the UK obesity epidemic reflects a change over time in the proportion of the population demonstrating adverse latent patterns of BMI development and 2) investigate the potential roles of maternal and paternal BMI in this secular process. Methods We used serial BMI data between 7-17 years of age from 13220 boys and 12711 girls. Half the sample was born in 1958 and half in 2001. Sex-specific growth mixture models were developed. The relationships of maternal and paternal BMI and weight status with class membership were estimated using the 3-step BCH approach, with covariate adjustment. Results The selected models had five classes. For each sex, in addition to the two largest normal weight classes, there were “normal weight increasing to overweight” (17% of boys and 20% of girls), “overweight increasing to obesity” (8% and 6%), and “overweight decreasing to normal weight” (3% and 6%) classes. More than 1-in-10 children from the 2001 birth cohort were in the “overweight increasing to obesity” class, compared to less than 1-in-30 from the 1958 birth cohort. Approximately 75% of the mothers and fathers of this class had overweight or obesity. When considered together, both maternal and paternal BMI were associated with latent class membership, with evidence of negative departure from additivity (i.e., the combined effect of maternal and paternal BMI was smaller than the sum of the individual effects). The odds of a girl belonging to the “overweight increasing to obesity” class (compared to the largest normal weight class) was 13.11 (8.74, 19.66) times higher if both parents had overweight or obesity (compared to both parents having normal weight); the equivalent estimate for boys was 9.01 (6.37, 12.75). Conclusions The increase in obesity rates in the UK over more than 40 years has been partly driven by the growth of a sub-population demonstrating excess BMI gain during adolescence. Our results implicate both maternal and paternal BMI as correlates of this secular process.
DOI: 10.2908/isoc_cimobe_use
title: Verwendung mobiler Verbindungen zum Internet, nach Unternehmensgrößenklassen
title: Use of mobile connections to the internet by size class of enterprise
title: Usage professionnel des connexions mobiles à l'internet, par classe de taille d’entreprise
DOI: 10.17894/ucph.f07f7109-e741-489f-a5d6-014e167b9a7f
title: Spring barley calibration data set

description: The dataset contains detailed above- and below-ground field trial data collected at different Danish sites during two crop-growing seasons (2019 and 2020). The field experiments were designed to study the nitrogen use efficiency of modern two-row spring barley cultivars. The data collected aims to facilitate the calibration of crop models, by providing information on plant development, biomass production, nitrogen uptake and leaf area development from six nitrogen levels.
DOI: 10.5281/zenodo.7415217
title: General-purpose GAP potential for platinum

description: <strong>Gaussian approximation potential</strong> (GAP) [1] for <strong>platinum</strong>. It has been fitted with <strong>QUIP/GAP </strong>[1,2] by generating a new database of atomic structures containing: dimers; fcc, bcc, hcp and simple-cubic supercells, including strained, distorted and high-temperature configurations; surface slabs; clusters. The calculations were carried out at the <strong>PBE</strong> level of theory [3] using the VASP code [4,5]. This potential uses <strong>2-body</strong> (distance_2b) and <strong>SOAP-type descriptors</strong> (soap_turbo) [6,7]. The files can be used both with QUIP/GAP (compiled with the soap_turbo libraries) and <strong>TurboGAP</strong> [8]. A reference publication will be added when available. <strong>References</strong> A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010). LibAtoms: https://libatoms.github.io J.P. Perdew, K. Burke and M. Ernzerhof. Phys. Rev. Lett. 77, 3865 (1996). VASP: http://vasp.at G. Kresse and J. Furthmüller. Phys. Rev. B 54, 11169 (1996). A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013). M.A. Caro. Phys. Rev. B 100, 024112 (2019). TurboGAP: http://turbogap.fi