cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.5260285.v2
title: Second trimester extracellular microRNAs in maternal blood and fetal growth: An exploratory study

description: Healthy feto-maternal communication is critical during pregnancy and is orchestrated by the placenta. Dysfunction of the placenta leads to fetal growth complications; however, the underlying biological mechanisms have yet to be fully elucidated. Circulating extracellular microRNAs (exmiRNAs) in the blood have been implicated in cell-to-cell communication. Therefore, exmiRNAs may provide useful biological information about communication between the mother, the fetus, and the placenta during pregnancy. We used logistic regression to determine the association of exmiRNAs with abnormal fetal growth by comparing mothers of infants classified as small-for-gestational age (SGA) (n = 36) and large-for-gestational age (LGA) (n = 13) to appropriate-for-gestational age (AGA), matched by gestational age at delivery and infant sex. In addition, we used linear regression to determine associations between exmiRNAs and birth weight-for-gestational age (BWGA) z-score (n = 100), adjusting for maternal age, body mass index, and parity. We found that higher levels of miR-20b-5p, miR-942-5p, miR-324-3p, miR-223-5p, and miR-127-3p in maternal serum were associated with lower odds for having a SGA vs. AGA infant, and higher levels of miR-661, miR-212-3p, and miR-197-3p were associated with higher odds for having a LGA vs. AGA infant. We also found associations between miR-483-5p, miR-10a-5p, miR-204-5p, miR-202-3p, miR-345-5p, miR-885-5p, miR-127-3p, miR-148b-3p, miR-324-3p, miR-1290, miR-597-5p, miR-139-5p, miR-215-5p, and miR-99b-5p and BWGA z-score. We also found sex-specific associations with exmiRNAs and fetal growth. Our findings suggest that exmiRNAs circulating in maternal blood at second trimester are associated with fetal growth. Validation of our findings may lead to the development of minimally-invasive biomarkers of fetal growth during pregnancy.
DOI: 10.6084/m9.figshare.5260282.v1
title: Using medico-legal data to investigate fatal older road user crash circumstances and risk factors

description: <b>Objective</b>: This study used medico-legal data to investigate fatal older road user (ORU, aged 65 years and older) crash circumstances and risk factors relating to 4 key components of the Safe System approach (e.g., roads and roadsides, vehicles, road users, and speeds) to identify areas of priority for targeted prevention activity. <b>Method</b>: The Coroners' Court of Victoria's (CCOV) Surveillance Database was searched to identify and describe the frequency and rate per 100,000 population of fatal ORU crashes in the Australian state of Victoria for 2013–2014. Information relating to the deceased ORU, crash characteristics and circumstances, and risk factors was extracted and analyzed. <b>Results</b>: One hundred and thirty-eight unintentional fatal ORU crashes were identified in the CCOV Surveillance Database. Of these fatal ORU crashes, most involved older drivers (44%), followed by older pedestrians (32%), older passengers (17%), older pedal cyclists (4%), older motorcyclists (1%), and older mobility scooter users (1%). The average annual rate of fatal ORU crashes per 100,000 population was 8.1 (95% confidence interval [CI], 6.0–10.2). In terms of the crash characteristics and circumstances, most fatal ORU crashes involved a counterpart (98%), of which the majority were passenger cars (50%) or fixed/stationary objects (25%), including trees (46%) or embankments (23%). In addition, most fatal ORU crashes occurred close to home (73%), on-road (87%), on roads that were paved (94%), on roads with light traffic volume (37%), and during low-risk conditions: between 12 p.m. and 6 p.m. (44%), on weekdays (80%), during daylight (75%), and under dry/clear conditions (81%). Road user (RU) error was identified by the police and/or the coroner for the majority of fatal crashes (55%), with a significant proportion of deceased ORUs deemed to have failed to yield (54%) or misjudged (41%). <b>Conclusions</b>: RU error was the most significant factor identified in fatal ORU crashes, which suggests that there is a limited capacity of the road system to fully accommodate RU errors. Initiatives related to safer roads and roadsides, vehicles, speed zones, as well as behavioral approaches are key areas of priority for targeted activity to prevent fatal ORU crashes in the future.
DOI: 10.6084/m9.figshare.5260285.v1
title: Second trimester extracellular microRNAs in maternal blood and fetal growth: an exploratory study

description: Healthy feto-maternal communication is critical during pregnancy and is orchestrated by the placenta. Dysfunction of the placenta leads to fetal growth complications; however, the underlying biological mechanisms have yet to be fully elucidated. Circulating extracellular microRNAs (exmiRNAs) in the blood have been implicated in cell-to-cell communication. Therefore, exmiRNAs may provide useful biological information about communication between the mother, the fetus, and the placenta during pregnancy. We used logistic regression to determine the association of exmiRNAs with abnormal fetal growth by comparing mothers of infants classified as small-for-gestational age (SGA) (n = 36) and large-for-gestational age (LGA) (n = 13) to appropriate-for-gestational age (AGA), matched by gestational age at delivery and infant sex. In addition, we used linear regression to determine associations between exmiRNAs and birth weight-for-gestational age (BWGA) z-score (n = 100), adjusting for maternal age, body mass index, and parity. We found that higher levels of miR-20b-5p, miR-942-5p, miR-324-3p, miR-223-5p, and miR-127-3p in maternal serum were associated with lower odds for having a SGA versus AGA infant, and higher levels of miR-661, miR-212-3p, and miR-197-3p were associated with higher odds for having a LGA versus AGA infant. We also found associations between miR-483-5p, miR-10a-5p, miR-204-5p, miR-202-3p, miR-345-5p, miR-885-5p, miR-127-3p, miR-148b-3p, miR-324-3p, miR-1290, miR-597-5p, miR-139-5p, miR-215-5p, and miR-99b-5p and BWGA z-score. We also found sex-specific associations with exmiRNAs and fetal growth. Our findings suggest that exmiRNAs circulating in maternal blood at second trimester are associated with fetal growth. Validation of our findings may lead to the development of minimally-invasive biomarkers of fetal growth during pregnancy.
DOI: 10.6084/m9.figshare.5260201
title: Insights into the crystal structure of BRD2-BD2 – phenanthridinone complex and theoretical studies on phenanthridinone analogs

description: Bromodomain and extra-terminal family proteins recognize the acetylated histone code on chromatin and participate in downstream processes like DNA replication, modification, and repair. As part of epigenetic approaches, BRD2 and BRD4 were identified as putative targets, for the management of chronic diseases. We have recently reported the discovery of a new scaffold of the phenanthridinone-based inhibitor (L10) of the second bromodomain of BRD2 (BRD2-BD2). Here, we present the crystal structure of the BRD2-BD2, refined to 1.4 Å resolution, in complex with β-mercaptoethanol (a component of the protein buffer). The β-mercaptoethanol covalently links to C425 of BD2 in the acetyl-lysine binding pocket, to form a modified cysteine mercaptoethanol (CME). The CME modification significantly hinders the entry of ligands into the BD2 binding pocket, suggesting that β-mercaptoethanol should be removed during protein production process. Next, to confirm whether phenanthridionone scaffold is a new inhibitor family of BRD2-BD2, we have determined the crystal structure of BD2 in complex with 6(5H)-Phenanthridinone (a core moiety of L10), refined to 1.28 Å resolution. It confirmed that the phenanthridinone molecule, unambiguously, binds to BD2. Moreover, we performed molecular docking and molecular dynamic studies on selected phenanthridinone analogs. The predicted L10 analogs are stable with essential hydrophobic and hydrophilic interactions with BD2 during molecular dynamic simulations. We propose that the predicted phenanthridinone analogs may be potential molecules for inhibiting the BD2 function of acetylated histone recognition.
DOI: 10.6084/m9.figshare.5260201.v1
title: Insights into the crystal structure of BRD2-BD2 – phenanthridinone complex and theoretical studies on phenanthridinone analogs

description: Bromodomain and extra-terminal family proteins recognize the acetylated histone code on chromatin and participate in downstream processes like DNA replication, modification, and repair. As part of epigenetic approaches, BRD2 and BRD4 were identified as putative targets, for the management of chronic diseases. We have recently reported the discovery of a new scaffold of the phenanthridinone-based inhibitor (L10) of the second bromodomain of BRD2 (BRD2-BD2). Here, we present the crystal structure of the BRD2-BD2, refined to 1.4 Å resolution, in complex with β-mercaptoethanol (a component of the protein buffer). The β-mercaptoethanol covalently links to C425 of BD2 in the acetyl-lysine binding pocket, to form a modified cysteine mercaptoethanol (CME). The CME modification significantly hinders the entry of ligands into the BD2 binding pocket, suggesting that β-mercaptoethanol should be removed during protein production process. Next, to confirm whether phenanthridionone scaffold is a new inhibitor family of BRD2-BD2, we have determined the crystal structure of BD2 in complex with 6(5H)-Phenanthridinone (a core moiety of L10), refined to 1.28 Å resolution. It confirmed that the phenanthridinone molecule, unambiguously, binds to BD2. Moreover, we performed molecular docking and molecular dynamic studies on selected phenanthridinone analogs. The predicted L10 analogs are stable with essential hydrophobic and hydrophilic interactions with BD2 during molecular dynamic simulations. We propose that the predicted phenanthridinone analogs may be potential molecules for inhibiting the BD2 function of acetylated histone recognition.
DOI: 10.6084/m9.figshare.5260102
title: Time-resolved toxicity study reveals the dynamic interactions between uncoated silver nanoparticles and bacteria

description: It is still unclear whether the toxicity of silver nanoparticles (AgNPs) can be attributed solely to the release of Ag<sup>+</sup> or whether dissolved and nanoparticulate Ag act in parallel; this is due to the difficulty in distinguishing Ag<sup>+</sup>- from AgNP-effects. Also, AgNPs undergo changes during toxicity tests. This is the first study to investigate the influence of AgNP dissolution over time on viable counts at high time resolution and low cell density, avoiding the apparently reduced toxicity at higher cell densities identified in our study. Uncapped AgNPs were synthesized to avoid any interference from surface coatings. The transformations of AgNPs during storage were reduced. Lowering the concentration of AgNPs reduced their aggregation in Davis minimal medium (DMM). Also, AgNPs dissolved more slowly in DMM than in water. The minimum inhibitory concentrations (MICs) of Ag<sup>+</sup> and AgNPs increased with cell density according to a power law, suggesting that binding to cells decreased effective concentrations. However, AgNPs acted as a reservoir of Ag, releasing new Ag<sup>+</sup> to maintain the Ag stress. The toxicity of AgNPs was dominated by dissolved Ag. Combining controlled conditions, high time-resolution and low cell density, we could demonstrate different roles of ionic and nano Ag in bacterial death caused by AgNPs.
DOI: 10.6084/m9.figshare.5260102.v1
title: Time-resolved toxicity study reveals the dynamic interactions between uncoated silver nanoparticles and bacteria

description: It is still unclear whether the toxicity of silver nanoparticles (AgNPs) can be attributed solely to the release of Ag<sup>+</sup> or whether dissolved and nanoparticulate Ag act in parallel; this is due to the difficulty in distinguishing Ag<sup>+</sup>- from AgNP-effects. Also, AgNPs undergo changes during toxicity tests. This is the first study to investigate the influence of AgNP dissolution over time on viable counts at high time resolution and low cell density, avoiding the apparently reduced toxicity at higher cell densities identified in our study. Uncapped AgNPs were synthesized to avoid any interference from surface coatings. The transformations of AgNPs during storage were reduced. Lowering the concentration of AgNPs reduced their aggregation in Davis minimal medium (DMM). Also, AgNPs dissolved more slowly in DMM than in water. The minimum inhibitory concentrations (MICs) of Ag<sup>+</sup> and AgNPs increased with cell density according to a power law, suggesting that binding to cells decreased effective concentrations. However, AgNPs acted as a reservoir of Ag, releasing new Ag<sup>+</sup> to maintain the Ag stress. The toxicity of AgNPs was dominated by dissolved Ag. Combining controlled conditions, high time-resolution and low cell density, we could demonstrate different roles of ionic and nano Ag in bacterial death caused by AgNPs.
DOI: 10.6084/m9.figshare.5260027
title: Lower frequency routine surveillance endomyocardial biopsies after heart transplantation

description: data source for the manuscript at plos one
DOI: 10.6084/m9.figshare.5260027.v1
title: Lower frequency routine surveillance endomyocardial biopsies after heart transplantation

description: data source for the manuscript at plos one
DOI: 10.6084/m9.figshare.5259871
title: AFM of racemic and enantiopure 1-aza[6]helicene fresh and after 24h

description: AFM data of racemic and enantiopure 1-aza[6]helicene films after casting and after ageing for 24h.
DOI: 10.6084/m9.figshare.5259874
title: UV/vis and PL of racemic and enantiopure 1-aza[6]helicene thin films

description: UV/vis and PL of racemic and enantiopure 1-aza[6]helicene thin films, recorded over time.
DOI: 10.6084/m9.figshare.5259871.v1
title: AFM of racemic and enantiopure 1-aza[6]helicene fresh and after 24h

description: AFM data of racemic and enantiopure 1-aza[6]helicene films after casting and after ageing for 24h.
DOI: 10.6084/m9.figshare.5259874.v1
title: UV/vis and PL of racemic and enantiopure 1-aza[6]helicene thin films

description: UV/vis and PL of racemic and enantiopure 1-aza[6]helicene thin films, recorded over time.
DOI: 10.6084/m9.figshare.5259847
title: Dataset for: A robust interrupted time series model for analyzing complex healthcare intervention data

description: Current health policy calls for greater use of evidence based care delivery services to improve patient quality and safety outcomes. Care delivery is complex, with inter- acting and interdependent components that challenge traditional statistical analytic techniques, in particular when modeling a time series of outcomes data that might be “interrupted" by a change in a particular method of health care delivery. Interrupted time series (ITS) is a robust quasi-experimental design with the ability to infer the effectiveness of an intervention that accounts for data dependency. Current standardized methods for analyzing ITS data do not model changes in variation and correlation following the intervention. This is a key limitation since it is plausible for data variability and dependency to change because of the intervention. Moreover, present methodology either assumes a pre-specified interruption time point with an instantaneous effect or removes data for which the effect of intervention is not fully realized. In this paper, we describe and develop a novel `Robust-ITS' model that overcomes these omissions and limitations. The Robust-ITS model formally performs inference on: (a) identifying the change point; (b) differences in pre- and post-intervention correlation; (c) differences in the outcome variance pre- and post-intervention; and (d) differences in the mean pre- and post-intervention. We illustrate the proposed method by analyzing patient satisfaction data from a hospital that implemented and evaluated a new nursing care delivery model as the intervention of interest. The Robust-ITS model is implemented in a R Shiny toolbox which is freely available to the c
DOI: 10.6084/m9.figshare.5259847.v1
title: Dataset for: A robust interrupted time series model for analyzing complex healthcare intervention data

description: Current health policy calls for greater use of evidence based care delivery services to improve patient quality and safety outcomes. Care delivery is complex, with inter- acting and interdependent components that challenge traditional statistical analytic techniques, in particular when modeling a time series of outcomes data that might be “interrupted" by a change in a particular method of health care delivery. Interrupted time series (ITS) is a robust quasi-experimental design with the ability to infer the effectiveness of an intervention that accounts for data dependency. Current standardized methods for analyzing ITS data do not model changes in variation and correlation following the intervention. This is a key limitation since it is plausible for data variability and dependency to change because of the intervention. Moreover, present methodology either assumes a pre-specified interruption time point with an instantaneous effect or removes data for which the effect of intervention is not fully realized. In this paper, we describe and develop a novel `Robust-ITS' model that overcomes these omissions and limitations. The Robust-ITS model formally performs inference on: (a) identifying the change point; (b) differences in pre- and post-intervention correlation; (c) differences in the outcome variance pre- and post-intervention; and (d) differences in the mean pre- and post-intervention. We illustrate the proposed method by analyzing patient satisfaction data from a hospital that implemented and evaluated a new nursing care delivery model as the intervention of interest. The Robust-ITS model is implemented in a R Shiny toolbox which is freely available to the c
DOI: 10.6084/m9.figshare.5259829
title: Phylogenomic Resolution of the Phylogeny of Laurasiatherian Mammals: Exploring Phylogenetic Signals within Coding and Noncoding Sequences

description: Data sets used in Phylogenomic Resolution of the Phylogeny of Laurasiatherian Mammals: Exploring Phylogenetic Signals within Coding and Noncoding Sequences
DOI: 10.6084/m9.figshare.5259835
title: The Wheelchair Use Confidence Scale: Italian translation, adaptation, and validation of the short form

description: <b>Objective:</b> We developed an Italian version of the Wheelchair Use Confidence Scale for Manual Users-Short Form (WheelCon-M-I-short form) and examined its reliability and validity. <b>Methods:</b> The original scale was translated from English to Italian using the “Translation and Cultural Adaptation of Patient Reported Outcomes Measures–Principles of Good Practice” guidelines. The WheelCon-M-I-short form was administered to experienced manual wheelchair users who had a variety of diagnoses. Its internal consistency and test–retest reliability were examined. Its concurrent validity was evaluated using Pearson correlation coefficients with the Italian version of the Wheelchair Outcome Measure (WhOM-I) and the Italian version of the Barthel index (BI). <b>Results:</b> The WheelCon-M-I-short form was administered to 31 subjects. The mean ± SD of the WheelCon-M-I-short form score was 7.5 ± 1.9. All WheelCon-M-I-short form items were either identical or similar in meaning to the WheelCon-M-short form items. Cronbach’s α for the WheelCon-M-I-short form was 0.95 (<i>p</i> p p p <b>Conclusions:</b> The WheelCon-M-I-short form was found to be reliable and a valid outcome measure for assessing manual wheelchair confidence in the Italian population. Implication for RehabilitationThe WheelCon-M-I-short form is a valid outcome measure available for assessing wheelchair confidence, according to Bandura’s social cognitive theory, self-efficacy is a better predictor of future behavior than skill itself.Translation of the WheelCon-M-short form into the WheelCon-M-I-short form provides a new tool for Italian professionals.Clinicians now have a method to measure this invisible barrier to wheelchair use, and they will be able to make informed decisions when prescribing the use of manual wheelchairs and when training clients in their use.The WheelCon-M-I-short form also provides researchers with a tool in an important and relevant area of study for future research. The WheelCon-M-I-short form is a valid outcome measure available for assessing wheelchair confidence, according to Bandura’s social cognitive theory, self-efficacy is a better predictor of future behavior than skill itself. Translation of the WheelCon-M-short form into the WheelCon-M-I-short form provides a new tool for Italian professionals. Clinicians now have a method to measure this invisible barrier to wheelchair use, and they will be able to make informed decisions when prescribing the use of manual wheelchairs and when training clients in their use. The WheelCon-M-I-short form also provides researchers with a tool in an important and relevant area of study for future research.
DOI: 10.6084/m9.figshare.5259829.v1
title: Phylogenomic Resolution of the Phylogeny of Laurasiatherian Mammals: Exploring Phylogenetic Signals within Coding and Noncoding Sequences

description: Data sets used in Phylogenomic Resolution of the Phylogeny of Laurasiatherian Mammals: Exploring Phylogenetic Signals within Coding and Noncoding Sequences