cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.8847992.v1
title: Ligand and Solvent Effects on the Structural and Optical Properties of Au13L83+ Clusters: a Density Functional Theory Study

description: Density functional theory (DFT) calculations have been performed to develop a systematic structural analysis of Au13L83+, where L = SCH3, SeCH3, SCH2OCH3 and S(CH2)2NH2, in order to examine the influence of different ligands. Binding energy calculations indicate that the gold core is more stabilized by the ligand in the following sequence S(CH2)2NH2 &gt; SCH2OCH3 &gt; SeCH3 &gt; SCH3. Natural bond orbital (NBO) analysis describes the interaction between the gold and the ligands, showing that the strongest electron donation occurs from a lone pair orbital on the sulfur and selenium atoms to the antibonding acceptor σ* (Au-S) and σ* (Au-Se) orbitals, respectively. The NBO analysis allowed to understand the origin of enhanced stability of the [Au13(S(CH2)2NH2)8]3+. Time-dependent DFT (TDDFT) calculations have been performed to simulate the optical absorption spectra of Au13L83+ in gas phase and under the effect of solvents with different polarities. The absorption spectrum of [Au13(S(CH2)2NH2)8]3+ shows a spectral profile that differs considerably from the others in gas phase and which is strongly affected by the solvent.
DOI: 10.6084/m9.figshare.8847983.v1
title: Performance of crossbred lactating cows at grazing in response to nitrogen supplementation and different levels of concentrate feed

description: ABSTRACT The performance of crossbred (1/2 Holstein x Zebu) cows supplemented on Brachiaria decumbens pasture during the wet-dry transition period was evaluated. Eight cows with 497±50kg, during third and fourth lactations and after the lactation peak were distributed in two 4 x 4 Latin squares. The treatments consisted of a factorial with two types of mineral supplements (nitrogenous and mineral salt) and two levels of concentrate (0.3 and 0.6% body weight (BW)/cow/day), based on corn and soybean meal (60:40), and supplied during the morning and afternoon milking. The experiment lasted 56 days, divided into four periods of 14 days, with seven days for adaptation and seven for data collection. No interaction (P&gt; 0.05) was observed between the supplements and the concentrate levels. The nitrogenous salt and the highest concentrate level increased (P&lt; 0.05) the intake of crude protein, and the highest concentrate level increased (P&lt; 0.05) the intake of non-fibrous carbohydrates and the digestibility of crude protein. No effect (P&gt; 0.05) of supplement and concentrate level was observed on the milk constituents and feed efficiency. Grazing crossbred after the lactation peak during the wet-dry transition period achieve the productive potential with 0.3% BW of concentrate per day and mineral salt.
DOI: 10.6084/m9.figshare.8847941
title: Demonstration set of 14-3-3 PPI annotations

description: This is a small set of protein-protein interaction (PPI) annotations involving 14-3-3 proteins. All source text is from documents in the PubMed Central OA subset and CC license (see References). The format is BioC (see http://bioc.sourceforge.net/). See file "rules.txt" for notes regarding which entities and interactions were annotated.
DOI: 10.6084/m9.figshare.8847941.v1
title: Demonstration set of 14-3-3 PPI annotations

description: This is a small set of protein-protein interaction (PPI) annotations involving 14-3-3 proteins. All source text is from documents in the PubMed Central OA subset and CC license (see References). The format is BioC (see http://bioc.sourceforge.net/). See file "rules.txt" for notes regarding which entities and interactions were annotated.
DOI: 10.6084/m9.figshare.8847935.v1
title: Eyasi Plateau Paleontological Expedition, Laetoli (Tanzania) fossil specimen database 1998-2005

description: The Eyasi Plateau Paleontological Expedition (EPPE) Laetoli specimen database contains 13715 records of plant and animal fossils (ca. 28248 specimens) collected by EPPE field teams working at Laetoli, Tanzania between 1998 and 2005. This dataset is a digital version of the original hard-copy specimen catalogue and it documents the discovery, stratigraphic provenience and taxonomic diversity of Pliocene and Pleistocene fauna and flora in northern Tanzania in the time range between 4.4 Ma and &gt;200 ka. Laetoli is renowned for the discovery of important hominin fossils, including the lectotype for Australopithecus afarensis, one of our early hominin ancestors, the first record of Paranthropus aethiopicus outside Kenya-Ethiopia, and an early record of our own species Homo sapiens. This database is one of the few publicly available palaeoanthropological fossil datasets and serves as an example for expanding open access to primary fossil occurrence data in palaeoanthropology. The taxonomic identifications appearing in this dataset are the original field identifications and are provisional. Any taxonomic analysis employing this dataset should refer to updated taxonomic identifications published by specialists.
DOI: 10.6084/m9.figshare.8847935.v2
title: Eyasi Plateau Paleontological Expedition, Laetoli (Tanzania) fossil specimen database 1998-2005

description: The Eyasi Plateau Paleontological Expedition (EPPE) Laetoli specimen database contains 13716 records of plant and animal fossils (ca. 28248 specimens) collected by EPPE field teams working at Laetoli, Tanzania between 1998 and 2005. This dataset is a digital version of the original hard-copy specimen catalogue and it documents the discovery, stratigraphic provenience and taxonomic diversity of Pliocene and Pleistocene fauna and flora in northern Tanzania in the time range between 4.4 Ma and &gt;200 ka. Laetoli is renowned for the discovery of important hominin fossils, including the lectotype for Australopithecus afarensis, one of our early hominin ancestors, the first record of Paranthropus aethiopicus outside Kenya-Ethiopia, and an early record of our own species Homo sapiens. This database is one of the few publicly available palaeoanthropological fossil datasets and serves as an example for expanding open access to primary fossil occurrence data in palaeoanthropology. The taxonomic identifications appearing in this dataset are the original field identifications and are provisional. Any taxonomic analysis employing this dataset should refer to updated taxonomic identifications published by specialists.
DOI: 10.23641/asha.8847845
title: Speech fluency in apraxia of speech (Harmon et al., 2019)

description: <b>Purpose: </b>Slowed speech and interruptions to the flow of connected speech are common in aphasia. These features are also observed during dual-task performance for neurotypical adults. The purposes of this study were to determine (a) whether indices of fluency related to cognitive–linguistic versus motor processing would differ between speakers with aphasia plus apraxia of speech (AOS) and speakers with aphasia only and (b) whether cognitive load reduces fluency in speakers with aphasia with and without AOS.<b>Method: </b>Fourteen speakers with aphasia (7 with AOS) and 7 neurotypical controls retold short stories alone (single task) and while simultaneously distinguishing between a high and a low tone (dual task). Their narrative samples were analyzed for speech fluency according to sample duration, speech rate, pause/fill time, and repetitions per syllable.<b>Results: </b>As expected, both speaker groups with aphasia spoke slower and with more pauses than the neurotypical controls. The speakers with AOS produced more repetitions and longer samples than controls, but they did not differ on these measures from the speakers with aphasia without AOS. Relative to the single-task condition, the dual-task condition increased the duration of pauses and fillers for all groups but reduced speaking rate only for the control group. Sample duration and frequency of repetitions did not change in response to cognitive load.<b>Conclusions:</b> Speech output in aphasia becomes less fluent when speakers have to engage in simultaneous tasks, as is typical in everyday conversation. Although AOS may lead to more sound and syllable repetitions than normal, speaking tasks other than narrative discourse might better capture this specific type of disfluency. Future research is needed to confirm and expand these preliminary findings.<b><br></b><b>Supplemental Material S1.</b> Discrimination between high- and low-frequency tones across three groups.<br><b>Supplemental Material S2. </b>Two-way comparisons for speech fluency and tone discrimination variables.<br>Harmon, T. G., Jacks, A., & Haley, K. L. (2019). Speech fluency in acquired apraxia of speech during narrative discourse: Group comparisons and dual-task effects. <i>American Journal of Speech-Language Pathology, 28,</i> 905–914. https://doi.org/10.1044/2018_AJSLP-MSC18-18-0107<br><b>Publisher Note:</b> This article is part of the Special Issue: Selected Papers From the 2018 Conference on Motor Speech—Clinical Science and Innovations.<br>
DOI: 10.23641/asha.8847845.v1
title: Speech fluency in apraxia of speech (Harmon et al., 2019)

description: <b>Purpose: </b>Slowed speech and interruptions to the flow of connected speech are common in aphasia. These features are also observed during dual-task performance for neurotypical adults. The purposes of this study were to determine (a) whether indices of fluency related to cognitive–linguistic versus motor processing would differ between speakers with aphasia plus apraxia of speech (AOS) and speakers with aphasia only and (b) whether cognitive load reduces fluency in speakers with aphasia with and without AOS.<b>Method: </b>Fourteen speakers with aphasia (7 with AOS) and 7 neurotypical controls retold short stories alone (single task) and while simultaneously distinguishing between a high and a low tone (dual task). Their narrative samples were analyzed for speech fluency according to sample duration, speech rate, pause/fill time, and repetitions per syllable.<b>Results: </b>As expected, both speaker groups with aphasia spoke slower and with more pauses than the neurotypical controls. The speakers with AOS produced more repetitions and longer samples than controls, but they did not differ on these measures from the speakers with aphasia without AOS. Relative to the single-task condition, the dual-task condition increased the duration of pauses and fillers for all groups but reduced speaking rate only for the control group. Sample duration and frequency of repetitions did not change in response to cognitive load.<b>Conclusions:</b> Speech output in aphasia becomes less fluent when speakers have to engage in simultaneous tasks, as is typical in everyday conversation. Although AOS may lead to more sound and syllable repetitions than normal, speaking tasks other than narrative discourse might better capture this specific type of disfluency. Future research is needed to confirm and expand these preliminary findings.<b><br></b><b>Supplemental Material S1.</b> Discrimination between high- and low-frequency tones across three groups.<br><b>Supplemental Material S2. </b>Two-way comparisons for speech fluency and tone discrimination variables.<br>Harmon, T. G., Jacks, A., & Haley, K. L. (2019). Speech fluency in acquired apraxia of speech during narrative discourse: Group comparisons and dual-task effects. <i>American Journal of Speech-Language Pathology, 28,</i> 905–914. https://doi.org/10.1044/2018_AJSLP-MSC18-18-0107<br><b>Publisher Note:</b> This article is part of the Special Issue: Selected Papers From the 2018 Conference on Motor Speech—Clinical Science and Innovations.<br>
DOI: 10.6084/m9.figshare.8847836
title: Bad upload

description: For a bachelor project the fecundity of female spider mites (tetranychus urticae) were observed over 5 days. Subjects were of the same age but of different haplotypes and tested on different hosts; bean, honeysuckle and spindle tree.<br>
DOI: 10.6084/m9.figshare.8847836.v2
title: Bad upload

description: For a bachelor project the fecundity of female spider mites (tetranychus urticae) were observed over 5 days. Subjects were of the same age but of different haplotypes and tested on different hosts; bean, honeysuckle and spindle tree.<br>
DOI: 10.6084/m9.figshare.8847719
title: Knowldge Graph Database

description: This database contains metadata of several Knowledge Graphs, such as the amount of nodes, the indegree and the outdegree.
DOI: 10.6084/m9.figshare.8846348
title: Applicability of fractal capillary pressure models to sandstones

description: Applicability of fractal capillary pressure models to sandstones
DOI: 10.6084/m9.figshare.8846489.v1
title: Modification of the Maximin and <i>ϕ<sub>p</sub></i> (phi) criteria to achieve statistically uniform distribution of sampling points

description: This paper proposes a sampling technique that delivers robust designs, i.e. point sets selected from a design domain in the shape of a unit hypercube. The designs are guaranteed to provide a <i>statistically uniform</i> point distribution, meaning that every location has the same probability of being selected. Moreover, the designs are <i>sample uniform</i>, meaning that each individual design has its points spread evenly throughout the domain. The <i>sample uniformity</i> (often measured via a <i>discrepancy</i> criterion) is achieved using distance-based criteria (ϕpor Maximin), i.e. criteria normally used in space-filling designs. We show that the standard intersite metrics employed in distance-based criteria (Maximin and ϕp (phi)) do <i>not</i> deliver statistically uniform designs. Similarly, designs optimized via centered <i>L</i><sub>2</sub> discrepancy or support points are also not statistically uniform. When these designs (after optimization based on intersite distances) are used for Monte Carlo type of integration, their statistical nonuniformity is a serious problem as it may lead to a systematic bias. This paper proposes using a periodic metric to guarantee the statistical uniformity of the family of distance-based designs. The presented designs used as benchmarks in the paper are only taken from the class of Latin Hypercube designs (LHDs), which forces univariate projections to be uniform and improves accuracy in Monte Carlo integration of some functions.
DOI: 10.6084/m9.figshare.8846174.v2
title: The genome assembly of Carpinus fangiana

description: In this study, we assembled a chromosomal-level reference genome of Carpinus fangiana (Coryloideae,Betulaceae)
DOI: 10.6084/m9.figshare.8846174.v1
title: The genome assembly of Carpinus fangiana

description: In this study, we assembled a chromosomal-level reference genome of Carpinus fangiana (Coryloideae,Betulaceae)
DOI: 10.6084/m9.figshare.8845832
title: Data for: Synergistic and antagonistic effects of land use and non-native species on community responses to climate change

description: This is the dataset for the following publication: <br>Auffret, A.G., Thomas, C.D. 2019, Synergistic and antagonistic effects of land use and non-native species on community responses to climate change,<i> Global Change Biology</i>. https://doi.org/10.1111/gcb.14765<br>The dataset comprises data for the analysis of change in (plant) community climate indices (temperature and precipitation) in 996 Swedish landscapes during the 20th century, and the effects of changes in climate, land use and the proportions of non-native species in driving community change.<br>We also publish species temperature and precipitation indices for 3053 Swedish plant species. <br><br>Please consult the readme and the published article for further details. Feel free to get in touch.<br>Alistair Auffret - alistair.auffret@slu.se.<br><br><br>
DOI: 10.6084/m9.figshare.8845793
title: Source Data

description: Synthetic mimics of chlorophyll, which is designed by replacing the Mg center of porphyrin unit with other metal atoms (Au, Cu, Co) on metal-organic frameworks, may maximize atom utilization and optimize catalytic activity. Simultaneously, porphyrin ligand can be easily interfered by visible light, which offers an opportunity to develop photo-coupled electrocatalyst for CO<sub>2</sub> reduction. The single-Au-atom catalyst exhibits an ultrahigh turnover frequency of 37069 h<sup>-1</sup> at -1.1 V and CO faradaic efficiency of 94.2% at -0.9 V. Interestingly, with visible light interfered (67% solar intensity), the electrocatalyst reaches an approximate turnover frequency value and faradaic efficiency with reduced potential of ~130 mV. The similar trend is also observed on single-Cu-atom electrocatalyst under visible light, displaying a positive shift of 100 mV with a highest HCOOH faradaic efficiency of 77.3% at -0.7 V versus RHE. Interestingly, the light-induced positive shifts of 20, 100 and 130 mV for single-Co-atom, single-Cu-atom and single-Au-atom electrocatalysts are in consistent with their energy gaps of 0, 1.5 and 1.7 eV, respectively, suggesting the porphyrin not only serves as ligand, but also photoswitch to regulate electron transfer pathway to metal atom.
DOI: 10.6084/m9.figshare.8845793.v2
title: Source Data

description: Synthetic mimics of chlorophyll, which is designed by replacing the Mg center of porphyrin unit with other metal atoms (Au, Cu, Co) on metal-organic frameworks, may maximize atom utilization and optimize catalytic activity. Simultaneously, porphyrin ligand can be easily interfered by visible light, which offers an opportunity to develop photo-coupled electrocatalyst for CO<sub>2</sub> reduction. The single-Au-atom catalyst exhibits an ultrahigh turnover frequency of 37069 h<sup>-1</sup> at -1.1 V and CO faradaic efficiency of 94.2% at -0.9 V. Interestingly, with visible light interfered (67% solar intensity), the electrocatalyst reaches an approximate turnover frequency value and faradaic efficiency with reduced potential of ~130 mV. The similar trend is also observed on single-Cu-atom electrocatalyst under visible light, displaying a positive shift of 100 mV with a highest HCOOH faradaic efficiency of 77.3% at -0.7 V versus RHE. Interestingly, the light-induced positive shifts of 20, 100 and 130 mV for single-Co-atom, single-Cu-atom and single-Au-atom electrocatalysts are in consistent with their energy gaps of 0, 1.5 and 1.7 eV, respectively, suggesting the porphyrin not only serves as ligand, but also photoswitch to regulate electron transfer pathway to metal atom.
DOI: 10.6084/m9.figshare.8845793.v1
title: Source Data

description: Synthetic mimics of chlorophyll, which is designed by replacing the Mg center of porphyrin unit with other metal atoms (Au, Cu, Co) on metal-organic frameworks, may maximize atom utilization and optimize catalytic activity. Simultaneously, porphyrin ligand can be easily interfered by visible light, which offers an opportunity to develop photo-coupled electrocatalyst for CO<sub>2</sub> reduction. The single-Au-atom catalyst exhibits an ultrahigh turnover frequency of 37069 h<sup>-1</sup> at -1.1 V and CO faradaic efficiency of 94.2% at -0.9 V. Interestingly, with visible light interfered (67% solar intensity), the electrocatalyst reaches an approximate turnover frequency value and faradaic efficiency with reduced potential of ~130 mV. The similar trend is also observed on single-Cu-atom electrocatalyst under visible light, displaying a positive shift of 100 mV with a highest HCOOH faradaic efficiency of 77.3% at -0.7 V versus RHE. Interestingly, the light-induced positive shifts of 20, 100 and 130 mV for single-Co-atom, single-Cu-atom and single-Au-atom electrocatalysts are in consistent with their energy gaps of 0, 1.5 and 1.7 eV, respectively, suggesting the porphyrin not only serves as ligand, but also photoswitch to regulate electron transfer pathway to metal atom.
DOI: 10.6084/m9.figshare.8845625
title: Rilveria_Secondary System of Therapeutic Alliance data set.sav

description: This file contains the data set used in the study, "Exploring the Secondary System of Therapeutic Alliance for Autism Interventions from the Perspectives of Parents and Caregivers"
DOI: 10.6084/m9.figshare.8845625.v1
title: Rilveria_Secondary System of Therapeutic Alliance data set.sav

description: This file contains the data set used in the study, "Exploring the Secondary System of Therapeutic Alliance for Autism Interventions from the Perspectives of Parents and Caregivers"
DOI: 10.6084/m9.figshare.8845580
title: RumourEval 2019 data

description: Manual stance and veracity judgments over a large set of English social media conversations. Judgments are expertsourced and crowdsourced with extensive quality control as detailed in the referenced paper. Conversations are around a central claim; claims are grouped into news themes, each theme centering on a current event. Social media platforms include Twitter and Reddit. This is the dataset for the SemEval-2019 task, RumourEval.
DOI: 10.6084/m9.figshare.8845523
title: Supplementary Material for: Clinical and Demographical Characteristics of Familial Behçet’s Disease (Southeast Marmara Region)

description: <b><i>Background:</i></b> Familial aggregation in Behçet’s disease (BD) has been reported in Turkish and Japanese populations. While the frequency of familial cases has been reported to be 2–5% worldwide, this rate reaches up to 15% in the Middle East. <b><i>Objective:</i></b> This study aimed to determine the incidence of familial BD cases followed in the BD polyclinic and to compare their clinical and demographic characteristics to those observed in sporadic cases. <b><i>Methods:</i></b> Data related to BD patients who were followed between 1995 and 2014 were collected from computerized archive records and were assessed for detailed family histories. Only first-degree relatives (brother, sister, mother, father, children) were considered to be cases of familial BD. Clinical and demographic ­features were retrieved. Our BD polyclinic is located in the Southeast Marmara Region in Turkey. <b><i>Results:</i></b> BD was detected in 36 first-degree relatives of 33 patients out of 840 patients with BD. A total of 45 patients were diagnosed as familial BD;<i></i>23 were female, and 22 were male. In our patients, the incidence of familial BD was determined to be 3.9%. The rates for HLA-B5 positivity, ocular involvement, genital ulcers, and erythema nodosum were determined to be 86.6% (26/30), 26.6%, 82.2%, and 60%, respectively. None of the patients had neurological involvement, but 2 had vascular involvement. <b><i>Conclusion:</i></b> This study may contribute to the epidemiological data of BD from Turkey.
DOI: 10.6084/m9.figshare.8845523.v1
title: Supplementary Material for: Clinical and Demographical Characteristics of Familial Behçet’s Disease (Southeast Marmara Region)

description: <b><i>Background:</i></b> Familial aggregation in Behçet’s disease (BD) has been reported in Turkish and Japanese populations. While the frequency of familial cases has been reported to be 2–5% worldwide, this rate reaches up to 15% in the Middle East. <b><i>Objective:</i></b> This study aimed to determine the incidence of familial BD cases followed in the BD polyclinic and to compare their clinical and demographic characteristics to those observed in sporadic cases. <b><i>Methods:</i></b> Data related to BD patients who were followed between 1995 and 2014 were collected from computerized archive records and were assessed for detailed family histories. Only first-degree relatives (brother, sister, mother, father, children) were considered to be cases of familial BD. Clinical and demographic ­features were retrieved. Our BD polyclinic is located in the Southeast Marmara Region in Turkey. <b><i>Results:</i></b> BD was detected in 36 first-degree relatives of 33 patients out of 840 patients with BD. A total of 45 patients were diagnosed as familial BD;<i></i>23 were female, and 22 were male. In our patients, the incidence of familial BD was determined to be 3.9%. The rates for HLA-B5 positivity, ocular involvement, genital ulcers, and erythema nodosum were determined to be 86.6% (26/30), 26.6%, 82.2%, and 60%, respectively. None of the patients had neurological involvement, but 2 had vascular involvement. <b><i>Conclusion:</i></b> This study may contribute to the epidemiological data of BD from Turkey.