cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7939046
title: Data and supplementary information: Effects of lithium on locomotor activity and circadian rhythm of honey bees

description: Data and supplementary files for publication:
Erdem, B., Arslan, O.C., Sevin, S. Gozen, A. G., Agosto-Rivera, J. L., Tugrul, G., & Alemdar, H. (2023). Effects of lithium on locomotor activity and circadian rhythm of honey bees. Scientific Reports, 13, 19861. https://doi.org/10.1038/s41598-023-46777-7
 
AcuteExp_Dark_ActivityData.xlsx - Total LMA counts of acute experiment in dark condition.
AcuteExp_Light_ActivityData.xlsx - Total LMA counts of acute experiment in light condition.
ChronicExp_ActivityData.xlsx - Total LMA counts of the chronic experiment.
ChronicExp_MortalityData.xlsx - Mortality data of the chronic experiment.
ChronicExp_PeriodRhytmData.xlsx - Defines rhythmic and arrhythmic individuals and the circadian periods (h) of the rhythmic individuals in chronic experiment.
LD_doubleplots.pdf - Double-plotted actograms of the individuals in the chronic experiment in the 12 h light / 12 h dark condition.
DD_doubleplots.pdf - Double-plotted actograms of the individuals in the chronic experiment in the constant dark condition.
LL_doubleplots.pdf - Double-plotted actograms of the individuals in the chronic experiment in the constant light condition.In the double-plotted actograms, NR indicates "non-rhythmic" individuals.
DOI: 10.6084/m9.figshare.24372568
title: Multiparametric <i>in vitro</i> genotoxicity assessment of different variants of amorphous silica nanomaterials in rat alveolar epithelial cells

description: The hazard posed to human health by inhaled amorphous silica nanomaterials (aSiO<sub>2</sub> NM) remains uncertain. Herein, we assessed the cyto- and genotoxicity of aSiO<sub>2</sub> NM variants covering different sizes (7, 15, and 40 nm) and surface modifications (unmodified, phosphonate-, amino- and trimethylsilyl-modified) on rat alveolar epithelial (RLE-6TN) cells. Cytotoxicity was evaluated at 24 h after exposure to the aSiO<sub>2</sub> NM variants by the lactate dehydrogenase (LDH) release and WST-1 reduction assays, while genotoxicity was assessed using different endpoints: DNA damage (single- and double-strand breaks [SSB and DSB]) by the comet assay for all aSiO<sub>2</sub> NM variants; cell cycle progression and γ-H2AX levels (DSB) by flow cytometry for those variants that presented higher cytotoxic and DNA damaging potential. The variants with higher surface area demonstrated a higher cytotoxic potential (SiO<sub>2</sub>_7, SiO<sub>2</sub>_15_Unmod, SiO<sub>2</sub>_15_Amino, and SiO<sub>2</sub>_15_Phospho). SiO<sub>2</sub>_40 was the only variant that induced significant DNA damage on RLE-6TN cells. On the other hand, all tested variants (SiO<sub>2</sub>_7, SiO<sub>2</sub>_15_Unmod, SiO<sub>2</sub>_15_Amino, and SiO<sub>2</sub>_40) significantly increased total γ-H2AX levels. At high concentrations (28 µg/cm<sup>2</sup>), a decrease in G<sub>0</sub>/G<sub>1</sub> subpopulation was accompanied by a significant increase in S and G<sub>2</sub>/M sub-populations after exposure to all tested materials except for SiO<sub>2</sub>_40 which did not affect cell cycle progression. Based on the obtained data, the tested variants can be ranked for its genotoxic DNA damage potential as follows: SiO<sub>2</sub>_7 = SiO<sub>2</sub>_40 = SiO<sub>2</sub>_15_Unmod &gt; SiO<sub>2</sub>_15_Amino. Our study supports the usefulness of multiparametric approaches to improve the understanding on NM mechanisms of action and hazard prediction.
DOI: 10.6084/m9.figshare.24372568.v1
title: Multiparametric <i>in vitro</i> genotoxicity assessment of different variants of amorphous silica nanomaterials in rat alveolar epithelial cells

description: The hazard posed to human health by inhaled amorphous silica nanomaterials (aSiO<sub>2</sub> NM) remains uncertain. Herein, we assessed the cyto- and genotoxicity of aSiO<sub>2</sub> NM variants covering different sizes (7, 15, and 40 nm) and surface modifications (unmodified, phosphonate-, amino- and trimethylsilyl-modified) on rat alveolar epithelial (RLE-6TN) cells. Cytotoxicity was evaluated at 24 h after exposure to the aSiO<sub>2</sub> NM variants by the lactate dehydrogenase (LDH) release and WST-1 reduction assays, while genotoxicity was assessed using different endpoints: DNA damage (single- and double-strand breaks [SSB and DSB]) by the comet assay for all aSiO<sub>2</sub> NM variants; cell cycle progression and γ-H2AX levels (DSB) by flow cytometry for those variants that presented higher cytotoxic and DNA damaging potential. The variants with higher surface area demonstrated a higher cytotoxic potential (SiO<sub>2</sub>_7, SiO<sub>2</sub>_15_Unmod, SiO<sub>2</sub>_15_Amino, and SiO<sub>2</sub>_15_Phospho). SiO<sub>2</sub>_40 was the only variant that induced significant DNA damage on RLE-6TN cells. On the other hand, all tested variants (SiO<sub>2</sub>_7, SiO<sub>2</sub>_15_Unmod, SiO<sub>2</sub>_15_Amino, and SiO<sub>2</sub>_40) significantly increased total γ-H2AX levels. At high concentrations (28 µg/cm<sup>2</sup>), a decrease in G<sub>0</sub>/G<sub>1</sub> subpopulation was accompanied by a significant increase in S and G<sub>2</sub>/M sub-populations after exposure to all tested materials except for SiO<sub>2</sub>_40 which did not affect cell cycle progression. Based on the obtained data, the tested variants can be ranked for its genotoxic DNA damage potential as follows: SiO<sub>2</sub>_7 = SiO<sub>2</sub>_40 = SiO<sub>2</sub>_15_Unmod &gt; SiO<sub>2</sub>_15_Amino. Our study supports the usefulness of multiparametric approaches to improve the understanding on NM mechanisms of action and hazard prediction.
DOI: 10.6084/m9.figshare.24448708
title: Artificial augmented dataset for the enhancement of nano-QSARs models. A methodology based on topological projections

description: Nanoinformatics demands accurate predictive models to assess the potential hazards of nanomaterials (NMs). However, limited data availability and the diverse nature of NMs physicochemical properties and their interaction with biological media, hinder the development of robust nano-Quantitative Structure-Activity Relationship (QSAR) models. This article proposes an approach that combines artificially data generation techniques and topological projections to address the challenges of insufficient dataset sizes and their limited representativeness of the chemical space. By leveraging the rich information embedded in the topological features, this methodology enhances the representation of the chemical space, enabling a more an exploration of the structure-activity relationships. We demonstrate the efficacy of our approach through extensive experiments, employing various machine learning regression algorithms to validate the methodology. Finally, we compare two different resampling approaches based on different modeling scenarios. The results showcase a significant improved predictive performance of QSAR models demonstrating a promising strategy to overcome the limitations of small datasets in the field of nanoinformatics. The proposed approach offers noteworthy potential for advancing nanoinformatics research within the nanosafety domain by enabling the development of more accurate predictive models for assessing the potential hazards associated with NMs.
DOI: 10.6084/m9.figshare.24448708.v1
title: Artificial augmented dataset for the enhancement of nano-QSARs models. A methodology based on topological projections

description: Nanoinformatics demands accurate predictive models to assess the potential hazards of nanomaterials (NMs). However, limited data availability and the diverse nature of NMs physicochemical properties and their interaction with biological media, hinder the development of robust nano-Quantitative Structure-Activity Relationship (QSAR) models. This article proposes an approach that combines artificially data generation techniques and topological projections to address the challenges of insufficient dataset sizes and their limited representativeness of the chemical space. By leveraging the rich information embedded in the topological features, this methodology enhances the representation of the chemical space, enabling a more an exploration of the structure-activity relationships. We demonstrate the efficacy of our approach through extensive experiments, employing various machine learning regression algorithms to validate the methodology. Finally, we compare two different resampling approaches based on different modeling scenarios. The results showcase a significant improved predictive performance of QSAR models demonstrating a promising strategy to overcome the limitations of small datasets in the field of nanoinformatics. The proposed approach offers noteworthy potential for advancing nanoinformatics research within the nanosafety domain by enabling the development of more accurate predictive models for assessing the potential hazards associated with NMs.
DOI: 10.6073/pasta/279e28de26c0a5f988e444bab6c8f082
title: Jornada Basin LTER: Wireless meteorological station at NPP C-SAND site: 1-hour summary data: 2013 - ongoing

description: Hourly summary data at NPP C-SAND met station. Average/maximum/minimum air temperature; average relative humidity and wind direction; average/maximum wind speed; solar radiation; albedo. These are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP C-SAND site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Solar radiation is measured at 3m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.
DOI: 10.5281/zenodo.10247103
title: Rocky shore subboxes
DOI: 10.13020/4a56-ma06
title: Habitat use and characteristics of Connecticut Warbler during the nesting and post-fledging period

description: Widespread declines in breeding bird populations have been documented across North America since the 1970s and concerns for loss of avian biodiversity are growing. Species with narrow habitat preferences are of particular conservation concern. Connecticut Warblers (Oporornis agilis) breed in forests in central Canada and around the western Great Lakes; throughout much of its breeding range, this species is associated with lowland black spruce (Picea mariana) and tamarack (Larix laricina) forests. Population trends of Connecticut Warblers indicate they are one of the most rapidly declining bird species in North America; but the species is understudied because they occur in relatively low densities across their breeding range. To better understand the breeding ecology of Connecticut Warblers, we studied their nesting and post-fledging habitat use and survival in northern Minnesota, USA at two study sites in 2019 and 2020. We mapped territories of 49 singing males, located and monitored 11 nests, and tracked the post-fledging movements of individuals from 5 broods. Nest sites were located in lowland-conifer stands with a semi-open canopy and dense understory. The average fledging age was 7.5 days post-hatch and the individuals (n= 14) tracked during 0-7 days post-fledging had a mean daily distance from nests of 35.5 m and a maximum distance from nest of 104 m during that time period. Connecticut Warblers were not observed making movements of greater than 100 m from the nest until 7 days post-fledge. . Our findings indicate that micro-site areas with high stem density were important features for post-fledgling birds and that the same habitats were used for breeding and the post-fledging time period. Results from this study can be used by managers to develop conservation strategies that will provide critical habitat to support this species.
description: These data were collected as a part of an effort to study the nesting ecology of Connecticut Warbler (Oporornis agilis). The fledgling_vegetation_data and associated fledgling_vegetation_metadata file contains vegetation survey data that was collected at points where juvenile birds were located along with random points that were located 30 m away from the used areas. These data were used to compare difference in fine scale habitat use. The nestling_measurements and nestling_measurements_metadata files contain information related to nestling measurements that were collected when birds were banded and tagged with radio-transmitters.
DOI: 10.6073/pasta/5e1d02e04d32696c92b25b98dd4b72aa
title: Jornada Basin LTER: Wireless meteorological station at NPP M-RABB site: 1-hour summary data: 2013 - ongoing

description: Hourly summary data at NPP M-RABB met station. Average/maximum/minimum air temperature; average relative humidity and wind direction; average/maximum wind speed; solar radiation; albedo. These are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP M-RABB site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Solar radiation is measured at 3m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.
DOI: 10.6084/m9.figshare.24702306
title: Data used in Bottorff et al., Figure 1C,D

description: Data used in Bottorff et al., 2023, PNAS, Figure 1C,D
DOI: 10.6084/m9.figshare.24702306.v1
title: Data used in Bottorff et al., Figure 1C,D

description: Data used in Bottorff et al., 2023, PNAS, Figure 1C,D
DOI: 10.6084/m9.figshare.24700935
title: Data used in Bottorff et al., Figure 4B,C

description: Data used in Bottorff et al., 2023, PNAS, Figure 4B,C
DOI: 10.6084/m9.figshare.24700935.v1
title: Data used in Bottorff et al., Figure 4B,C

description: Data used in Bottorff et al., 2023, PNAS, Figure 4B,C
DOI: 10.6084/m9.figshare.24693933
title: Data from each condition for Bottorff et al., Figure 3

description: This data was used in Figure 3 of Bottorff et al. 2023 (PNAS)
DOI: 10.6084/m9.figshare.24693933.v1
title: Data from each condition for Bottorff et al., Figure 3

description: This data was used in Figure 3 of Bottorff et al. 2023 (PNAS)
DOI: 10.6084/m9.figshare.24694803
title: Data for Bottorff et al., Figure 5

description: These data were used in Bottorff et al., 2023, PNAS, Figure 5
DOI: 10.6084/m9.figshare.24694803.v1
title: Data for Bottorff et al., Figure 5

description: These data were used in Bottorff et al., 2023, PNAS, Figure 5
DOI: 10.6073/pasta/06ef13ed7739ecec1c5fb082bdf8b3c3
title: Jornada Basin LTER: Wireless meteorological station at NPP M-RABB site: 30-minute summary data: 2013 - ongoing

description: 30-minute summary data at NPP M-RABB met station. Average air temperature, relative humidity, wind speed, wind direction, and solar radiation are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP M-RABB site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Solar radiation is measured at 3m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.
DOI: 10.6084/m9.figshare.24698475
title: Data for Bottorff et al., Figure 4E,F

description: Data used in Bottorff et al., 2023 PNAS Figure 4E,F
DOI: 10.6084/m9.figshare.24698475.v1
title: Data for Bottorff et al., Figure 4E,F

description: Data used in Bottorff et al., 2023 PNAS Figure 4E,F
DOI: 10.6084/m9.figshare.24698748
title: Data for Bottorff et al., Figure 6

description: Data used in Bottorff et al., 2023, PNAS, Figure 1
DOI: 10.6084/m9.figshare.24698748.v1
title: Data for Bottorff et al., Figure 6

description: Data used in Bottorff et al., 2023, PNAS, Figure 1
DOI: 10.6084/m9.figshare.24699051
title: Data used for Bottorff et al., Figure 1E,F,G

description: Data used in Bottorff et al., 2023, PNAS, Figure 1 E,F,G and Table S1
DOI: 10.6084/m9.figshare.24699051.v1
title: Data used for Bottorff et al., Figure 1E,F,G

description: Data used in Bottorff et al., 2023, PNAS, Figure 1 E,F,G and Table S1
DOI: 10.6084/m9.figshare.24693852
title: Data used in Bottorff et al., Figure 2

description: These data were used in Bottorff et al., 2023 PNAS, Figure 2
DOI: 10.5517/ccdc.csd.cc2fmz8b
title: CCDC 2253522: Experimental Crystal Structure Determination

description: Related Article: Yanan Liu, Xiao Sun, Peiqiong Chen, Xiaojuan Li, Fu-Ping Huang, Hou-Ting Liu, Haiquan Tian|2023|Chem.Commun.|59|14134|doi:10.1039/D3CC04449A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h60wm
title: CCDC 2299700: Experimental Crystal Structure Determination

description: Related Article: Shuzhong Wang, Yili Zhang, Chuyun Liang, Yue Zhang, Ruoting Zhan, Huicai Huang|2023|Org.Lett.|25|8269|doi:10.1021/acs.orglett.3c03317
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h6vsc
title: CCDC 2300503: Experimental Crystal Structure Determination

description: Related Article: Fanyuanhang Yang, Ping Lin, Biping Xu, Yuzhen Gao, Weiping Su|2023|Org.Lett.|25|8308|doi:10.1021/acs.orglett.3c03354
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gph6w
title: CCDC 2284768: Experimental Crystal Structure Determination

description: Related Article: Siddhartha De, Georges Mouchaham, Fangbing Liu, Maame Affram, Brian Abeykoon, Nathalie Guillou, Erwann Jeanneau, Jean-Marc Grenèche, Lhoussain Khrouz, Charlotte Martineau-Corcos, Lotfi Boudjema, Fabrice Salles, Pablo Salcedo-Abraira, Gonçalo Valente, Manuel Souto, Alexandra Fateeva, Thomas Devic|2023|J.Mater.Chem.A|11|25465|doi:10.1039/D3TA04490D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gph7x
title: CCDC 2284769: Experimental Crystal Structure Determination

description: Related Article: Siddhartha De, Georges Mouchaham, Fangbing Liu, Maame Affram, Brian Abeykoon, Nathalie Guillou, Erwann Jeanneau, Jean-Marc Grenèche, Lhoussain Khrouz, Charlotte Martineau-Corcos, Lotfi Boudjema, Fabrice Salles, Pablo Salcedo-Abraira, Gonçalo Valente, Manuel Souto, Alexandra Fateeva, Thomas Devic|2023|J.Mater.Chem.A|11|25465|doi:10.1039/D3TA04490D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bzcsh
title: CCDC 2174147: Experimental Crystal Structure Determination

description: Related Article: Bo Ding, Zhong-Yi Liu, Xin-Jing Gong, Hui-Min Tang, Xiu-Guang Wang, Zheng-Yu Liu, Hui-Ming Dong, Jing Liu, En-Cui Yang|2023|Dalton Trans.|52|17477|doi:10.1039/D3DT02851H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gph8y
title: CCDC 2284770: Experimental Crystal Structure Determination

description: Related Article: Siddhartha De, Georges Mouchaham, Fangbing Liu, Maame Affram, Brian Abeykoon, Nathalie Guillou, Erwann Jeanneau, Jean-Marc Grenèche, Lhoussain Khrouz, Charlotte Martineau-Corcos, Lotfi Boudjema, Fabrice Salles, Pablo Salcedo-Abraira, Gonçalo Valente, Manuel Souto, Alexandra Fateeva, Thomas Devic|2023|J.Mater.Chem.A|11|25465|doi:10.1039/D3TA04490D
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bzctj
title: CCDC 2174148: Experimental Crystal Structure Determination

description: Related Article: Bo Ding, Zhong-Yi Liu, Xin-Jing Gong, Hui-Min Tang, Xiu-Guang Wang, Zheng-Yu Liu, Hui-Ming Dong, Jing Liu, En-Cui Yang|2023|Dalton Trans.|52|17477|doi:10.1039/D3DT02851H
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h9mhy
title: CCDC 2303160: Experimental Crystal Structure Determination

description: Related Article: Weize Wang, Wenke Yuan, Cunding Kong, Yuchen Yang, Shuting Xi, Xiangyu Liu, Bo Liu|2023|J.Mater.Chem.A|11|25605|doi:10.1039/D3TA05242G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gvkvr
title: CCDC 2289655: Experimental Crystal Structure Determination

description: Related Article: Fangzheng Chen, Kun Zhang, Yijia Yuan, Walter Peide Wong, Gang Wang, Xing Li, Lu Wang, Runlai Li, Zhitan Wu, Junhao Lin, Hai-Sen Xu, Kian Ping Loh|2023|J.Am.Chem.Soc.|145|25341|doi:10.1021/jacs.3c09114
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h9r6s
title: CCDC 2303275: Experimental Crystal Structure Determination

description: Related Article: Fangzheng Chen, Kun Zhang, Yijia Yuan, Walter Peide Wong, Gang Wang, Xing Li, Lu Wang, Runlai Li, Zhitan Wu, Junhao Lin, Hai-Sen Xu, Kian Ping Loh|2023|J.Am.Chem.Soc.|145|25341|doi:10.1021/jacs.3c09114
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.