cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.10184970
title: Mutual Induced Fit Transition Structure Stabilization of Corannulene's Bowl-to-Bowl Inversion in a Perylene Bisimide Cyclophane

description: Additional data to report https://doi.org/10.1039/D3SC05341E:Corannulene is known to undergo a fast bowl-to-bowl inversion at r.t. via a planar transition structure (TS). Herein we present the catalysis of this process within a perylene bisimide (PBI) cyclophane composed of chirally twisted, non-planar chromophores, linked by para-xylylene spacers. Variable temperature NMR studies reveal that the bowl-to-bowl inversion is significantly accelerated within the cyclophane template despite the structural non-complementarity between the binding site of the host and the TS of the guest. The observed acceleration corresponds to a decrease in the bowl-to-bowl inversion barrier of 11.6 kJ mol−1 compared to the uncatalyzed process. Comparative binding studies for corannulene (20 π-electrons) and other planar polycyclic aromatic hydrocarbons (PAHs) with 14 to 24 π-electrons were applied to rationalize this barrier reduction. They revealed high binding constants that reach, in tetrachloromethane as a solvent, the picomolar range for the largest guest coronene. Computational models corroborate these experimental results and suggest that both TS stabilization and ground state destabilization contribute to the observed catalytic effect. Hereby, we find a “mutual induced fit” between host and guest in the TS complex, such that mutual geometric adaptation of the energetically favored planar TS and curved π-systems of the host results in an unprecedented non-planar TS of corannulene. Concomitant partial planarization of the PBI units optimizes noncovalent TS stabilization by π–π stacking interactions. This observation of a “mutual induced fit” in the TS of a host–guest complex was further validated experimentally by single crystal X-ray analysis of a host–guest complex with coronene as a qualitative transition state analogue.
description: Additional data to report: https://doi.org/10.1039/D3SC05341E
DOI: 10.5281/zenodo.10184971
title: Mutual Induced Fit Transition Structure Stabilization of Corannulene's Bowl-to-Bowl Inversion in a Perylene Bisimide Cyclophane

description: Additional data to report https://doi.org/10.1039/D3SC05341E:Corannulene is known to undergo a fast bowl-to-bowl inversion at r.t. via a planar transition structure (TS). Herein we present the catalysis of this process within a perylene bisimide (PBI) cyclophane composed of chirally twisted, non-planar chromophores, linked by para-xylylene spacers. Variable temperature NMR studies reveal that the bowl-to-bowl inversion is significantly accelerated within the cyclophane template despite the structural non-complementarity between the binding site of the host and the TS of the guest. The observed acceleration corresponds to a decrease in the bowl-to-bowl inversion barrier of 11.6 kJ mol−1 compared to the uncatalyzed process. Comparative binding studies for corannulene (20 π-electrons) and other planar polycyclic aromatic hydrocarbons (PAHs) with 14 to 24 π-electrons were applied to rationalize this barrier reduction. They revealed high binding constants that reach, in tetrachloromethane as a solvent, the picomolar range for the largest guest coronene. Computational models corroborate these experimental results and suggest that both TS stabilization and ground state destabilization contribute to the observed catalytic effect. Hereby, we find a “mutual induced fit” between host and guest in the TS complex, such that mutual geometric adaptation of the energetically favored planar TS and curved π-systems of the host results in an unprecedented non-planar TS of corannulene. Concomitant partial planarization of the PBI units optimizes noncovalent TS stabilization by π–π stacking interactions. This observation of a “mutual induced fit” in the TS of a host–guest complex was further validated experimentally by single crystal X-ray analysis of a host–guest complex with coronene as a qualitative transition state analogue.
description: Additional data to report: https://doi.org/10.1039/D3SC05341E
DOI: 10.7488/67af38d4-0de1-4516-a214-6677825f1f59
title: Maˈya (Kawe dialect: ISO 369-3: kbg, Glottocode: kawe1240) Collection

description: The following datasets are part of the Collection:
*Arnold, Laura. (2023). KAW002 - Kawe Maˈya - Basic words (people, body parts, verbs, numbers, qualities, cultural items), 2023 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7559.
*Arnold, Laura. (2023). KAW001 - Kawe Maˈya - Basic words (landscape, plants, animals), 2023 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7558.
*Arnold, Laura. (2023). KAW003 - Kawe Maˈya - Verbal, possessive, and pronominal paradigms, 2023 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7557.
description: This collection forms part of a community of linguistic datasets https://datashare.ed.ac.uk/handle/10283/8573.

Kawe is a dialect of Maˈya spoken in two villages in the northwest of Waigeo island. This collection comprises elicited lexical and morphosyntactic data, recorded from a single speaker (Yulius Ayello, born 1978). There is a list of basic words (around 350, recorded in isolation, utterance-final, and utterance-medial contexts), as well as data on the verbal subject agreement and possessive-marking paradigms. Each item contains an audio recording (.wav), the accompanying field notes (.pdf), a metadata file (.txt), and a record of speaker consent (.pdf). As well as the raw recordings of the individual sessions, the segmented audio files are provided as a separate item, to facilitate searches on a particular word or construction.
description: Arnold, Laura M. (2023). Maˈya (Kawe dialect: ISO 369-3: kbg, Glottocode: kawe1240) (2023). University of Edinburgh. School of Philosophy, Psychology and Language Sciences. Linguistics and English Language. https://datashare.ed.ac.uk/handle/10283/8584
DOI: 10.7488/f5de313b-ef4d-4e54-8c0f-9cf43a5e3529
title: Maˈya (Laganyan dialect: ISO 369-3: lcc, Glottocode: lege1241) Collection

description: The following datasets are part of the Collection:
*Arnold, Laura. (2023). LAG001 - Laganyan Maˈya - Basic vocabulary (landscape, plants, animals), 2023 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7560.
Arnold, Laura. (2023). LAG002 - Laganyan Maˈya - Basic words (humans, body parts, verbs, numbers, qualities, cultural items), 2023 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7561.
*Arnold, Laura. (2023). LAG003 - Laganyan Maˈya - Verbal, possessive, and pronominal paradigms, 2023 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7562.
description: This collection forms part of a community of linguistic datasets https://datashare.ed.ac.uk/handle/10283/8573.

Laganyan [ISO 369-3: lcc, Glottocode: lege1241] is a dialect of Maˈya spoken in three villages along the coast of Mayalibit Bay in central Waigeo island. This collection comprises elicited lexical and morphosyntactic data, recorded from a single speaker (Arfus Saleo, born 1979). There is a list of basic words (around 350, recorded in isolation, utterance-final, and utterance-medial contexts), as well as data on the verbal subject agreement and possessive-marking paradigms. Each item contains an audio recording (.wav), the accompanying field notes (.pdf), a metadata file (.txt), and a record of speaker consent (.pdf). As well as the raw recordings of the individual sessions, the segmented audio files are provided as a separate item, to facilitate searches on a particular word or construction.
description: Arnold, Laura M. (2023). Maˈya (Laganyan dialect: ISO 369-3: lcc, Glottocode: lege1241) (2023). University of Edinburgh. School of Philosophy, Psychology and Language Sciences. Linguistics and English Language. https://datashare.ed.ac.uk/handle/10283/8591
DOI: 10.7488/46a936f2-f193-4e75-9313-6ded09b85057
title: Moi (ISO 369-3: mxn, Glottocode moii1235) Collection

description: The following datasets are part of the Collection:
*Arnold, Laura. (2023). MOI001 - Moi - Basic vocabulary (Speaker: Luter Salamala), 2014 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7654.
*Arnold, Laura. (2023). MOI005 - Moi - Basic words (Speaker: Hendrik Mili), 2020 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7658.
*Arnold, Laura. (2023). MOI002 - Moi - Basic words (Speaker: Yance Sani), 2020 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7655.
*Arnold, Laura. (2023). MOI004 - Moi - Morphosyntactic data (including verbal subject-marking and possessive paradigms); Conversational questionnaire (Dialogue A, 'We're going fishing'), 2020 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7657.
*Arnold, Laura. (2023). MOI003 - Moi - Basic vocabulary (Speaker: Corina Mainolo), 2020 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7656.
description: This collection forms part of a community of linguistic datasets https://datashare.ed.ac.uk/handle/10283/8573.

Moi [ISO 369-3: mxn, Glottocode moii1235] belongs to the West Bird's Head family. It is spoken by around 4,600 people in villages to the north and east of Sorong town. The data in this collection come from speakers in Asbaken village, where the Austronesian language As [asz, asss1237] was also historically spoken.

This collection comprises elicited lexical and some morphosyntactic data, recorded from several speakers. There is a list of basic words (around 150, recorded in isolation, utterance-final, and utterance-medial contexts), as well as some basic phrases. Each item contains an audio recording (.wav), the accompanying field notes (.pdf), a metadata file (.rtf), and a record of speaker consent (.pdf).
description: Arnold, Laura M. (2023). (2023). University of Edinburgh. School of Philosophy, Psychology and Language Sciences. Linguistics and English Language. https://datashare.ed.ac.uk/handle/10283/8694
DOI: 10.6084/m9.figshare.24865560.v1
title: Bralgah Crater Boulder Survey and Simulation Data

description: The ZIP files contain simulation data from using PKDGRAV to simulate mass movements on Bennu. Each ZIP is for the simulations with the named number of particles, and contains the initial setups, as well as FITS files with the final locations and displacements of the boulders. The FITS files also contain headers which contain information about the data, as well as simulation parameters. The NPY file is a Python array of the survey data for boulders at a flow site at the Bralgah crater on asteroid Bennu.The columns for the survey data are as follows:0: Boulder ID1-3: x, y, z coordinates4-5: Lat, lon coordinates6: Major axis length7: Major-minor axis ratio8: Orientation of major axis
DOI: 10.5281/zenodo.10405727
title: The response of silicon carbide composites to He ion implantation and ramifications for use as a fusion reactor structural material

description: Raw datasets for the publication "The response of silicon carbide composites to He ion implantation and ramifications for use as a fusion reactor structural material".
DOI: 10.5281/zenodo.10405728
title: The response of silicon carbide composites to He ion implantation and ramifications for use as a fusion reactor structural material

description: Raw datasets for the publication "The response of silicon carbide composites to He ion implantation and ramifications for use as a fusion reactor structural material".
DOI: 10.7488/7acd6a3f-cb8a-447f-b0e7-25cce72bf3b5
title: Seget (ISO 369-3: sbg, Glottocode sege1235) Collection

description: The following datasets are part of the Collection:
*Arnold, Laura. (2023). SEG001 - Seget - Possessive paradigms, 2019 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7659.
*Arnold, Laura. (2023). SEG002 - Seget - Basic words and phrases, 2019 [dataset]. University of Edinburgh. School of Philosophy, Psychology & Language Sciences. Department of Linguistics & English Language. https://doi.org/10.7488/ds/7660.
description: This collection forms part of a community of linguistic datasets https://datashare.ed.ac.uk/handle/10283/8573.

Seget [ISO 369-3: sbg, Glottocode sege1235] belongs to the West Bird's Head family. It is spoken by around 1,200 people in villages to the south of Sorong town, and in the southeast of Salawati island. The data in this collection come from speakers in Kalobo village, where the Austronesian language Salawati [xmx, made1253] is also spoken.

This collection comprises basic elicited morphosyntactic data, recorded from two speakers (Siti Hariani Klasin, born 1983; Amelia Klasin, born 1979). Each item contains an audio recording (.wav), the accompanying field notes (.pdf), a metadata file (.txt), and a record of speaker consent (.pdf).
description: Arnold, Laura M. (2023). Seget (ISO 369-3: sbg, Glottocode sege1235) (2023). University of Edinburgh. School of Philosophy, Psychology and Language Sciences. Linguistics and English Language. https://datashare.ed.ac.uk/handle/10283/8695
DOI: 10.6084/m9.figshare.24866106
title: Supplementary Material for: Risk Factors Associated With Major Adverse Cardiovascular Events After Ischemic Stroke: A Linked Registry Study

description: Introduction: Survivors of stroke are at risk of experiencing subsequent major adverse cardiovascular events (MACEs). We aimed to determine the incidence of, and risk factors for, MACE after first-ever ischemic stroke, by age group (18–64 years vs ≥65 years).
Methods: Observational cohort study using patient-level data from the Australian Stroke Clinical Registry (2009–2013), linked with hospital administrative data. We included adults with first-ever ischemic stroke who had no previous acute cardiovascular admissions and followed these patients for two years post-discharge, or until the first post-stroke MACE event. A Fine-Gray subdistribution hazard model, accounting for the competing risk of non-cardiovascular death, was used to determine factors for incident post-stroke MACE.
Results: Among 5,994 patients with a first-ever ischemic stroke (median age 73 years, 45% female), 17% were admitted for MACE within 2 years (129 events per 1,000 person-years). The median time to first post-stroke MACE was 117 days (89 days if aged &lt;65 years vs 126 days if aged ≥ 65 years; p=0.025). Among patients aged 18–64 years, receiving intravenous thrombolysis (sub-distribution hazard ratio [SHR] 0.51 [95% CI, 0.28–0.92]) or being discharged to inpatient rehabilitation (SHR 0.65 [95% CI, 0.46–0.92]) were associated with a reduced incidence of post-stroke MACE. In those aged ≥65 years, being unable to walk on admission (SHR 1.33 [95% CI 1.15–1.54]), and history of smoking (SHR 1.40 [95% CI 1.14–1.71]) or atrial fibrillation (SHR 1.31 [95% CI 1.14–1.51]) were associated with an increased incidence of post-stroke MACE. Acute management in a large hospital (&gt;300 beds) for the initial stroke event was associated with reduced incidence of post-stroke MACE, irrespective of age group.
Conclusions: MACE is common within 2 years of stroke, with most events occurring within the first year. We have identified important factors to consider when designing interventions to prevent MACE after stroke, particularly among those aged &lt;65 years.
DOI: 10.6084/m9.figshare.24866106.v1
title: Supplementary Material for: Risk Factors Associated With Major Adverse Cardiovascular Events After Ischemic Stroke: A Linked Registry Study

description: Introduction: Survivors of stroke are at risk of experiencing subsequent major adverse cardiovascular events (MACEs). We aimed to determine the incidence of, and risk factors for, MACE after first-ever ischemic stroke, by age group (18–64 years vs ≥65 years).
Methods: Observational cohort study using patient-level data from the Australian Stroke Clinical Registry (2009–2013), linked with hospital administrative data. We included adults with first-ever ischemic stroke who had no previous acute cardiovascular admissions and followed these patients for two years post-discharge, or until the first post-stroke MACE event. A Fine-Gray subdistribution hazard model, accounting for the competing risk of non-cardiovascular death, was used to determine factors for incident post-stroke MACE.
Results: Among 5,994 patients with a first-ever ischemic stroke (median age 73 years, 45% female), 17% were admitted for MACE within 2 years (129 events per 1,000 person-years). The median time to first post-stroke MACE was 117 days (89 days if aged &lt;65 years vs 126 days if aged ≥ 65 years; p=0.025). Among patients aged 18–64 years, receiving intravenous thrombolysis (sub-distribution hazard ratio [SHR] 0.51 [95% CI, 0.28–0.92]) or being discharged to inpatient rehabilitation (SHR 0.65 [95% CI, 0.46–0.92]) were associated with a reduced incidence of post-stroke MACE. In those aged ≥65 years, being unable to walk on admission (SHR 1.33 [95% CI 1.15–1.54]), and history of smoking (SHR 1.40 [95% CI 1.14–1.71]) or atrial fibrillation (SHR 1.31 [95% CI 1.14–1.51]) were associated with an increased incidence of post-stroke MACE. Acute management in a large hospital (&gt;300 beds) for the initial stroke event was associated with reduced incidence of post-stroke MACE, irrespective of age group.
Conclusions: MACE is common within 2 years of stroke, with most events occurring within the first year. We have identified important factors to consider when designing interventions to prevent MACE after stroke, particularly among those aged &lt;65 years.
DOI: 10.5281/zenodo.10390378
title: ISMEJ-D-23-00494

description: Data files accompanying the publication under ISMEJ-D-23-00494 number
DOI: 10.5281/zenodo.10390379
title: ISMEJ-D-23-00494

description: Data files accompanying the publication under ISMEJ-D-23-00494 number
DOI: 10.6084/m9.figshare.24865560
title: Bralgah Crater Boulder Survey and Simulation Data

description: The ZIP files contain simulation data from using PKDGRAV to simulate mass movements on Bennu. Each ZIP is for the simulations with the named number of particles, and contains the initial setups, as well as FITS files with the final locations and displacements of the boulders. The FITS files also contain headers which contain information about the data, as well as simulation parameters. The NPY file is a Python array of the survey data for boulders at a flow site at the Bralgah crater on asteroid Bennu.The columns for the survey data are as follows:0: Boulder ID1-3: x, y, z coordinates4-5: Lat, lon coordinates6: Major axis length7: Major-minor axis ratio8: Orientation of major axis
DOI: 10.6084/m9.figshare.24865560.v2
title: Bralgah Crater Boulder Survey and Simulation Data

description: The ZIP files contain simulation data from using PKDGRAV to simulate mass movements on Bennu. Each ZIP is for the simulations with the named number of particles, and contains the initial setups, as well as FITS files with the final locations and displacements of the boulders. The FITS files also contain headers which contain information about the data, as well as simulation parameters. The NPY file is a Python array of the survey data for boulders at a flow site at the Bralgah crater on asteroid Bennu.The columns for the survey data are as follows:0: Boulder ID1-3: x, y, z coordinates4-5: Lat, lon coordinates6: Major axis length7: Major-minor axis ratio8: Orientation of major axis
DOI: 10.6084/m9.figshare.24849666.v2
title: HyperDC Figure 5: Viscoelasticity of HL60 cells with Latrunculin B treatment

description: This dataset contains the raw measurement data for the measurements on HL60 cells with Latrunculin B treatmet in Reichel et al. "High-throughput viscoelastic characterization of cells in hyperbolic microchannels" (Fig. 5A-D), https://www.biorxiv.org/content/10.1101/2023.12.10.571005
DOI: 10.6084/m9.figshare.24866172
title: Supplementary Material for: Causal effect of lipoprotein-associated phospholipase A2 activity on ischemic stroke : a Mendelian randomization study

description: Background
The relationship between ischemic stroke (IS) and lipoprotein-associated phospholipase A2 (Lp-PLA2) activity is still unclear, and there is a dearth of stratified research on the relationship between Lp-PLA2 activity and different IS subtypes. Therefore, Mendelian randomization was used in this study to examine the relationship between genetically proxied Lp-PLA2 activity and the risks of IS and its subtypes.
Methods
Based on information from a meta-analysis of GWAS, which included 13,664 European people, five single-nucleotide polymorphisms related to Lp-PLA2 activity were chosen as instrumental variables. Summary statistics information about MEGESTROKE consortium with the European group (40,585 cases and 406,111 controls) include any ischemic stroke (AIS) (n = 34,217); large-artery stroke (LAS, n=4,373), cardioembolic stroke (CES, n=7,193) and small vessel stroke (SVS, n=5,386). In order to determine the causal relationships between Lp-PLA2 activity and IS as well as its subtypes, the inverse variance weighted (IVW) approach was chosen as the primary analysis. Significant estimates were then tested by sensitivity analysis to rule out heterogeneity and pleiotropy.
Results
IVW showed Lp-PLA2 activity was causally associated with LAS (OR=3.25, 95% CI=1.65-6.41, p=0.0007), but not with other subtypes of stroke. Sensitivity analysis for causal estimates between Lp-PLA2 activity and LAS showed no significant heterogeneity or pleiotropy.
Conclusions
These MR analyses support a causal effect of Lp-PLA2 activity on LAS but not on AIS, CES or SVS, which suggests that serum Lp-PLA2 activity might be a biomarker for prediction of LAS.