cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1132955.v1
title: Reciprocal condition trials to test for ecotypic competition

description: Background/Question/Methods<br>The positive effect of nurse-plants on beneficiary species can act as a selection process affecting competitive ability of these recipient species. The purpose of this study was to determine if there is evidence for changes in competitive ability of species that associate with nurse-plants but maintain a presence in open sites in arid ecosystems. Seeds from species found growing under shrubs and in the open in a South American Desert ecosystem were collected and grown in sets of growth chambers programmed to emulate the microenvironmental conditions of each. Each source was reciprocally planted and simple density series were used to contrast performance in germination and early seedling establishment lifestages to infer changes in competitive ability.<br>Results/Conclusions<br>This design is an excellent extension to the reciprocal common garden design now used to study invasive plant species from different regions and the analog of differentiation within species but at much smaller scales is an important topic to consider for the study of plant faciitation and positive interactions more generally. Importantly, density-dependent interactions between beneficiary species is an important concept in modeling community dynamics and changes in apparent competition could be an important factor that mediates the capacity for shrubs to buffer the loss of smaller plant species within arid systems.
DOI: 10.6084/m9.figshare.1133645.v1
title: Agomelatine raw data

description: Raw data
DOI: 10.6084/m9.figshare.1132723
title: Data Sheets and Plots of Growth Data for Pseudo-nitzschia strain 9D2C1L1-1

description: These are the data sheets and supporting analytical documentation for Thessen et al. 2005 in Journal of Phycology.
DOI: 10.6084/m9.figshare.1132723.v1
title: Data Sheets and Plots of Growth Data for Pseudo-nitzschia strain 9D2C1L1-1

description: These are the data sheets and supporting analytical documentation for Thessen et al. 2005 in Journal of Phycology.
DOI: 10.6084/m9.figshare.1132725
title: Documentation describing the data sheets for Pseudo-nitzschia growth experiments using strain 9D2C1L-1

description: This is the documentation to accompany the data sheets for 9D2C1-L-1
DOI: 10.6084/m9.figshare.1132725.v1
title: Documentation describing the data sheets for Pseudo-nitzschia growth experiments using strain 9D2C1L-1

description: This is the documentation to accompany the data sheets for 9D2C1-L-1
DOI: 10.6084/m9.figshare.1132726.v2
title: Pseudo-nitzschia growth versus salinity experiments

description: This fileset contains the data sheets and supporting documentation corresponding to the experiments described in Thessen et al. 2005 in Journal of Phycology.
DOI: 10.6084/m9.figshare.1132726.v1
title: Pseudo-nitzschia growth versus salinity experiments

description: This fileset contains the data sheets and supporting documentation corresponding to the experiments described in Thessen et al. 2005 in Journal of Phycology.
DOI: 10.6084/m9.figshare.1132680
title: The Fast RODEO for Local Polynomial Regression

description: An open challenge in nonparametric regression is finding fast, computationally efficient approaches to estimating local bandwidths for large data sets, in particular in two or more dimensions. In the work presented here we introduce a novel local bandwidth estimation procedure for local polynomial regression which combines the greedy search of the RODEO algorithm with linear binning. The result is a fast, computationally efficient algorithm we refer to as the <i>fast RODEO</i>. We motivate the development of our algorithm by using a novel scale-space approach to derive the RODEO. We conclude with a toy example and real world example using data from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) satellite validation study, where we show the fast RODEO’s improvement in accuracy and computational speed over two other standard approaches.
DOI: 10.6084/m9.figshare.1132680.v1
title: The Fast RODEO for Local Polynomial Regression

description: An open challenge in nonparametric regression is finding fast, computationally efficient approaches to estimating local bandwidths for large data sets, in particular in two or more dimensions. In the work presented here we introduce a novel local bandwidth estimation procedure for local polynomial regression which combines the greedy search of the RODEO algorithm with linear binning. The result is a fast, computationally efficient algorithm we refer to as the <i>fast RODEO</i>. We motivate the development of our algorithm by using a novel scale-space approach to derive the RODEO. We conclude with a toy example and real world example using data from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) satellite validation study, where we show the fast RODEO’s improvement in accuracy and computational speed over two other standard approaches.
DOI: 10.6084/m9.figshare.1132678
title: Live web test data

description: This file contains information about the HTTP response code from the availibility test of all URIs from all corpora in the live web.
DOI: 10.6084/m9.figshare.1132675
title: Elsevier Memento data

description: This file contains Memento information for all URIs from the Elsevier dataset.
DOI: 10.6084/m9.figshare.1132676
title: Part 2: Elsevier articles summary files

description: This file contains one XML summary file for each Elsevier article. The XML contains metadata about the article as well as all extracted URIs. As per Elsevier TDM policy, the files can only be re-used for non-commercial purposes.
DOI: 10.6084/m9.figshare.1132677
title: Part 1: Elsevier articles summary files

description: This file contains one XML summary file for each Elsevier article. The XML contains metadata about the article as well as all extracted URIs. As per Elsevier TDM policy, the files can only be re-used for non-commercial purposes.
DOI: 10.6084/m9.figshare.1132674
title: PMC articles summary files

description: This file contains one XML summary file for each PMC article. The XML contains metadata about the article as well as all extracted URIs.
DOI: 10.6084/m9.figshare.1132672
title: arXiv Memento data

description: This file contains Memento information for all URIs from the arXiv dataset.
DOI: 10.6084/m9.figshare.1132673
title: PMC Memento data

description: This file contains Memento information for all URIs from the PMC dataset.
DOI: 10.6084/m9.figshare.1132671
title: arXiv articles summary files

description: This file contains one XML summary file for each arXiv article. The XML contains metadata about the article as well as all extracted URIs.
DOI: 10.6084/m9.figshare.1132665
title: Mislocalization of BRCA1-complex due to ABRAXAS Arg361Gln mutation

description: ABRAXAS is an integral member of BRCA1-complex, which helps in its recruitment to the DNA damage site. It interacts with BRCA1 via its C-terminal phospho-peptide binding motif while the N-terminal associates with RAP80, and thereby recruits the BRCA1-complex at the site of DNA damage. Nonetheless, how ABRAXAS helps in the structural integrity of BRCA1-complex, and its DNA repair mechanism remains elusive. To elucidate the role of ABRAXAS in the DNA repair process, we characterized the ABRAXAS wild type and Arg361Gln mutant using <i>in silico</i> and <i>in vitro</i> approach. It has been observed that ABRAXAS Arg361Gln mutant is responsible for defective nuclear localization of BRCA1-complex, and hence important for DNA repair function. We found conformational changes in ABRAXAS mutant, which impaired binding to RAP80 and further disturb BRCA1-complex localization. The results presented in this paper will help to understand the cause of BRCA1 mislocalization, and various DNA repair defects that occur due to substitution. Comparative study of ABRAXAS wild type and mutant will provide helpful perspective for inhibitor designing that can potentially recompense the deleterious effect(s) of Arg361Gln mutation, and have therapeutic application.
DOI: 10.6084/m9.figshare.1132665.v1
title: Mislocalization of BRCA1-complex due to ABRAXAS Arg361Gln mutation

description: ABRAXAS is an integral member of BRCA1-complex, which helps in its recruitment to the DNA damage site. It interacts with BRCA1 via its C-terminal phospho-peptide binding motif while the N-terminal associates with RAP80, and thereby recruits the BRCA1-complex at the site of DNA damage. Nonetheless, how ABRAXAS helps in the structural integrity of BRCA1-complex, and its DNA repair mechanism remains elusive. To elucidate the role of ABRAXAS in the DNA repair process, we characterized the ABRAXAS wild type and Arg361Gln mutant using <i>in silico</i> and <i>in vitro</i> approach. It has been observed that ABRAXAS Arg361Gln mutant is responsible for defective nuclear localization of BRCA1-complex, and hence important for DNA repair function. We found conformational changes in ABRAXAS mutant, which impaired binding to RAP80 and further disturb BRCA1-complex localization. The results presented in this paper will help to understand the cause of BRCA1 mislocalization, and various DNA repair defects that occur due to substitution. Comparative study of ABRAXAS wild type and mutant will provide helpful perspective for inhibitor designing that can potentially recompense the deleterious effect(s) of Arg361Gln mutation, and have therapeutic application.
DOI: 10.6084/m9.figshare.1132665.v3
title: Mislocalization of BRCA1-complex due to ABRAXAS Arg361Gln mutation

description: ABRAXAS is an integral member of BRCA1-complex, which helps in its recruitment to the DNA damage site. It interacts with BRCA1 via its C-terminal phospho-peptide binding motif while the N-terminal associates with RAP80, and thereby recruits the BRCA1-complex at the site of DNA damage. Nonetheless, how ABRAXAS helps in the structural integrity of BRCA1-complex, and its DNA repair mechanism remains elusive. To elucidate the role of ABRAXAS in the DNA repair process, we characterized the ABRAXAS wild type and Arg361Gln mutant using <i>in silico</i> and <i>in vitro</i> approach. It has been observed that ABRAXAS Arg361Gln mutant is responsible for defective nuclear localization of BRCA1-complex, and hence important for DNA repair function. We found conformational changes in ABRAXAS mutant, which impaired binding to RAP80 and further disturb BRCA1-complex localization. The results presented in this paper will help to understand the cause of BRCA1 mislocalization, and various DNA repair defects that occur due to substitution. Comparative study of ABRAXAS wild type and mutant will provide helpful perspective for inhibitor designing that can potentially recompense the deleterious effect(s) of Arg361Gln mutation, and have therapeutic application.
DOI: 10.6084/m9.figshare.1132662
title: Supra-subduction zone magmatism of the Neyriz ophiolite, Iran: constraints from geochemistry and Sr-Nd-Pb isotopes

description: The Neyriz ophiolite along the northeast flank of the Zagros fold-thrust belt in southern Iran is an excellent example of a Late Cretaceous supra-subduction zone (SSZ)-related ophiolite on the north side of the Neotethys. The ophiolite comprises a mantle sequence including lherzolite, harzburgite, diabasic dikes, and cumulate to mylonitic gabbro lenses, and a crustal sequence comprising a sheeted dike complex and pillow lavas associated with pelagic limestone and radiolarite. Mantle harzburgites contain less CaO and Al<sub>2</sub>O<sub>3</sub>, are depleted in rare earth elements, and contain spinels that are more Cr-rich than lherzolites. Mineral compositions of peridotites are similar to those of both abyssal and SSZ- peridotites. Neyriz gabbroic rocks show boninitic (SSZ-related) affinities, while crustal rocks are similar to early arc tholeiites. Mineral compositions of gabbroic rocks resemble those of SSZ-related cumulates such as high forsterite olivine, anorthite-rich plagioclase, and high-Mg# clinopyroxene. Initial εNd(<i>t</i>) values range from +7.9 to +9.3 for the Neyriz magmatic rocks. Samples with radiogenic Nd overlap with least radiogenic mid-ocean ridge basalts and with Semail and other Late Cretaceous Tethyan ophiolitic rocks. Initial <sup>87</sup>Sr/<sup>86</sup>Sr ranges from 0.7033 to 0.7044, suggesting modification due to seafloor alteration. Most Neyriz magmatic rocks are characterized by less radiogenic <sup>207</sup>Pb/<sup>204</sup>Pb (near the northern hemisphere reference line), suggesting less involvement of sediments in their mantle source. Our results for Neyriz ophiolite and the similarity to other Iranian Zagros ophiolites support a subduction initiation setting for its generation.
DOI: 10.6084/m9.figshare.1132665.v2
title: Mislocalization of BRCA1-complex due to ABRAXAS Arg361Gln mutation

description: ABRAXAS is an integral member of BRCA1-complex, which helps in its recruitment to the DNA damage site. It interacts with BRCA1 via its C-terminal phospho-peptide binding motif while the N-terminal associates with RAP80, and thereby recruits the BRCA1-complex at the site of DNA damage. Nonetheless, how ABRAXAS helps in the structural integrity of BRCA1-complex, and its DNA repair mechanism remains elusive. To elucidate the role of ABRAXAS in the DNA repair process, we characterized the ABRAXAS wild type and Arg361Gln mutant using <i>in silico</i> and <i>in vitro</i> approach. It has been observed that ABRAXAS Arg361Gln mutant is responsible for defective nuclear localization of BRCA1-complex, and hence important for DNA repair function. We found conformational changes in ABRAXAS mutant, which impaired binding to RAP80 and further disturb BRCA1-complex localization. The results presented in this paper will help to understand the cause of BRCA1 mislocalization, and various DNA repair defects that occur due to substitution. Comparative study of ABRAXAS wild type and mutant will provide helpful perspective for inhibitor designing that can potentially recompense the deleterious effect(s) of Arg361Gln mutation, and have therapeutic application.
DOI: 10.6084/m9.figshare.1132662.v1
title: Supra-subduction zone magmatism of the Neyriz ophiolite, Iran: constraints from geochemistry and Sr-Nd-Pb isotopes

description: The Neyriz ophiolite along the northeast flank of the Zagros fold-thrust belt in southern Iran is an excellent example of a Late Cretaceous supra-subduction zone (SSZ)-related ophiolite on the north side of the Neotethys. The ophiolite comprises a mantle sequence including lherzolite, harzburgite, diabasic dikes, and cumulate to mylonitic gabbro lenses, and a crustal sequence comprising a sheeted dike complex and pillow lavas associated with pelagic limestone and radiolarite. Mantle harzburgites contain less CaO and Al<sub>2</sub>O<sub>3</sub>, are depleted in rare earth elements, and contain spinels that are more Cr-rich than lherzolites. Mineral compositions of peridotites are similar to those of both abyssal and SSZ- peridotites. Neyriz gabbroic rocks show boninitic (SSZ-related) affinities, while crustal rocks are similar to early arc tholeiites. Mineral compositions of gabbroic rocks resemble those of SSZ-related cumulates such as high forsterite olivine, anorthite-rich plagioclase, and high-Mg# clinopyroxene. Initial εNd(<i>t</i>) values range from +7.9 to +9.3 for the Neyriz magmatic rocks. Samples with radiogenic Nd overlap with least radiogenic mid-ocean ridge basalts and with Semail and other Late Cretaceous Tethyan ophiolitic rocks. Initial <sup>87</sup>Sr/<sup>86</sup>Sr ranges from 0.7033 to 0.7044, suggesting modification due to seafloor alteration. Most Neyriz magmatic rocks are characterized by less radiogenic <sup>207</sup>Pb/<sup>204</sup>Pb (near the northern hemisphere reference line), suggesting less involvement of sediments in their mantle source. Our results for Neyriz ophiolite and the similarity to other Iranian Zagros ophiolites support a subduction initiation setting for its generation.
DOI: 10.6084/m9.figshare.1132657
title: Gaussian Job Archive for C50H66N6O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1132645
title: Enhancement effect of lithium bonding on the strength of <i>π</i>-hole interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes (X = H, F, CN, OH and CH<sub>3</sub>)

description: As with Groups IV and V, some Group VI atoms may exhibit regions of low electronic density that are perpendicular to portions of a molecular framework. These positive regions can interact in a highly directional manner with any negative site, thereby giving rise to a directional interaction. This type of interaction is labelled as ‘π-hole’ bonding. In this study, <i>ab initio</i> calculations are performed to study the cooperativity effects between the π-hole bond and lithium bond interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes, where X = H, F, CN, OH and CH<sub>3</sub>. These effects are investigated in terms of geometric and energetic features of the complexes, which are computed by the MP2/aug-cc-pVTZ method. Cooperative effects are found when S···N(C) and Li···N(C) bonds coexist in the same complex. The results indicate that the interaction energies of lithium and π-hole bonds in the triads are more negative relative to the respective dyads. The interaction energy of the lithium bond is increased by 9%–14%, whereas that of the π-hole interaction by 18%–28%. The electrostatic interaction is found to be a dominant factor in enhancing both types of interactions.
DOI: 10.6084/m9.figshare.1132657.v1
title: Gaussian Job Archive for C50H66N6O2

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1132645.v2
title: Enhancement effect of lithium bonding on the strength of <i>π</i>-hole interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes (X = H, F, CN, OH and CH<sub>3</sub>

description: As with Groups IV and V, some Group VI atoms may exhibit regions of low electronic density that are perpendicular to portions of a molecular framework. These positive regions can interact in a highly directional manner with any negative site, thereby giving rise to a directional interaction. This type of interaction is labelled as ‘π-hole’ bonding. In this study, <i>ab initio</i> calculations are performed to study the cooperativity effects between the π-hole bond and lithium bond interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes, where X = H, F, CN, OH and CH<sub>3</sub>. These effects are investigated in terms of geometric and energetic features of the complexes, which are computed by the MP2/aug-cc-pVTZ method. Cooperative effects are found when S···N(C) and Li···N(C) bonds coexist in the same complex. The results indicate that the interaction energies of lithium and π-hole bonds in the triads are more negative relative to the respective dyads. The interaction energy of the lithium bond is increased by 9%–14%, whereas that of the π-hole interaction by 18%–28%. The electrostatic interaction is found to be a dominant factor in enhancing both types of interactions.
DOI: 10.6084/m9.figshare.1132640
title: Characterization of Transducer Performance and Narrowband Transient Ultrasonic Fields in Metals by Rayleigh-Sommerfeld Backpropagation of Compression Acoustic Waves Measured with Double-Pulsed Tv Holography

description: This article presents a method aimed at the characterization of the narrowband transient acoustic field radiated by an ultrasonic plane transducer into a homogeneous, isotropic and optically opaque prismatic solid, and the assessment of the performance of the acoustic source. The method relies on a previous technique based on the full-field optical measurement of an acoustic wavepacket at the surface of a solid and its subsequent numerical backpropagation within the material. The experimental results show that quantitative transversal and axial profiles of the complex amplitude of the beam can be obtained at any plane between the measurement and excitation surfaces. The reconstruction of the acoustic field at the transducer face, carried out on a defective transducer model, shows that the method could also be suitable for the nondestructive testing of the performance of ultrasonic sources. In all cases, the measurements were performed with the transducer working under realistic loading conditions.
DOI: 10.6084/m9.figshare.1132645.v3
title: Enhancement effect of lithium bonding on the strength of <i>π</i>-hole interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes (X = H, F, CN, OH and CH<sub>3</sub>

description: As with Groups IV and V, some Group VI atoms may exhibit regions of low electronic density that are perpendicular to portions of a molecular framework. These positive regions can interact in a highly directional manner with any negative site, thereby giving rise to a directional interaction. This type of interaction is labelled as ‘π-hole’ bonding. In this study, <i>ab initio</i> calculations are performed to study the cooperativity effects between the π-hole bond and lithium bond interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes, where X = H, F, CN, OH and CH<sub>3</sub>. These effects are investigated in terms of geometric and energetic features of the complexes, which are computed by the MP2/aug-cc-pVTZ method. Cooperative effects are found when S···N(C) and Li···N(C) bonds coexist in the same complex. The results indicate that the interaction energies of lithium and π-hole bonds in the triads are more negative relative to the respective dyads. The interaction energy of the lithium bond is increased by 9%–14%, whereas that of the π-hole interaction by 18%–28%. The electrostatic interaction is found to be a dominant factor in enhancing both types of interactions.
DOI: 10.6084/m9.figshare.1132645.v5
title: Enhancement effect of lithium bonding on the strength of <i>π</i>-hole interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes (X = H, F, CN, OH and CH<sub>3</sub>)

description: As with Groups IV and V, some Group VI atoms may exhibit regions of low electronic density that are perpendicular to portions of a molecular framework. These positive regions can interact in a highly directional manner with any negative site, thereby giving rise to a directional interaction. This type of interaction is labelled as ‘π-hole’ bonding. In this study, <i>ab initio</i> calculations are performed to study the cooperativity effects between the π-hole bond and lithium bond interactions in O<sub>2</sub>S···NCLi···NCX and O<sub>2</sub>S···CNLi···CNX complexes, where X = H, F, CN, OH and CH<sub>3</sub>. These effects are investigated in terms of geometric and energetic features of the complexes, which are computed by the MP2/aug-cc-pVTZ method. Cooperative effects are found when S···N(C) and Li···N(C) bonds coexist in the same complex. The results indicate that the interaction energies of lithium and π-hole bonds in the triads are more negative relative to the respective dyads. The interaction energy of the lithium bond is increased by 9%–14%, whereas that of the π-hole interaction by 18%–28%. The electrostatic interaction is found to be a dominant factor in enhancing both types of interactions.