cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1585843.v1
title: A computational study on molecular structure, multiple interactions, chemical reactivity and molecular docking studies on 6[D (−) α-amino-phenyl-acetamido] penicillanic acid (ampicillin)

description: Ampicillin 6[D (−) α-amino-phenyl-acetamido] penicillanic acid (AMP) is a β-lactam antibiotic that is active against both gram-positive and gram-negative. Due to industrial and biological importance of β-lactam antibiotics, an extensive quantum chemical study on AMP was carried out. The theoretical ground-state geometry and electronic structure of AMP are optimised by the DFT/B3LYP/6-311++G(d,p) method and compared with those of the crystal data. Four conformers have been found by potential energy surface scan. Among them, the geometry of the conformer-IV matches well with the experimental value, so we proceed with it. Natural bond orbital analysis has been used to analyse the stability of the molecule arising from hyperconjugative interactions and charge delocalisation. HOMO and LUMO have been plotted and analysed in order to describe the chemical reactivity of the molecule. MEP for these conformers shows that the negative potential is visualised over the O41 atom of C=O group of the molecule. Molecular docking studies show that the title molecule exhibits an antibacterial activity. The interpretation of diverse aspects of chemical bonding has been done by computing global and local reactivity descriptors. The variation of thermodynamic properties (such as C<sup>°</sup><sub>p, m</sub>, S<sup>°</sup><sub>m</sub>, H<sup>°</sup><sub>m</sub>) with temperature has been studied theoretically. The present work will be helpful to systematically understand the structures and the electronic properties of AMP for studying the structure–activity relationship and to develop new drugs and their analytical methods.
DOI: 10.6084/m9.figshare.1585852.v1
title: Working in the Field: New Solutions for Old Problems

description: Resolving issues for women conducting field work.
DOI: 10.6084/m9.figshare.1585828
title: D1 and D2 inhibitions of soleus H-reflex during plantarflexion force and position tasks

description: This file comprises the data from an experimental study on presynaptic inhibition assessed during plantarflexion contractions. These data are presented according to the Results of a recent paper published in PLoS One (Magalhães et al., 2015). Please refer to the paper to understand additional methodological issues.
DOI: 10.6084/m9.figshare.1585826
title: CT mapping

description: Clinical trial location, sponsorship type and starting year for trials registered in the WHO ICTRP starting between 2006 and 2013.
DOI: 10.6084/m9.figshare.1585827
title: Fat king penguins are less steady on their feet

description: DataSet for publication. Method detail will be add once the paper is accepted and published
DOI: 10.6084/m9.figshare.1585828.v1
title: D1 and D2 inhibitions of soleus H-reflex during plantarflexion force and position tasks

description: This file comprises the data from an experimental study on presynaptic inhibition assessed during plantarflexion contractions. These data are presented according to the Results of a recent paper published in PLoS One (Magalhães et al., 2015). Please refer to the paper to understand additional methodological issues.
DOI: 10.6084/m9.figshare.1585826.v1
title: CT mapping

description: Clinical trial location, sponsorship type and starting year for trials registered in the WHO ICTRP starting between 2006 and 2013.
DOI: 10.6084/m9.figshare.1585819
title: OTU Table showing presence/absence for PLOS paper

description: Presence absence OTU table for data set used in the described publication with Taxonomic ID. R = recruits, S = small colonies, M = medium colonies, L = large colonies, VL = very large colonies. Each line represents a different sample. SKL = skeleton from medium colonies only, T = tissue, M = mucus and A = endolithic algae.
DOI: 10.6084/m9.figshare.1585822
title: Not everything looks like a nail: Learning to select appropriate decision strategies in multiple environments - Raw data from experiments

description: This is raw data from the experiment described in the following article: Stojic, H., Olsson, H., and Speekenbrink, M. (2016). "Not everything looks like a nail: Learning to select appropriate decision strategies in multiple environments", published as a preprint at PsyArXiv (https://osf.io/fma3p/). See Readme.pdf file for more detailed instructions, descriptions of variables and licence. Code used in the analysis, experimental software, as well as manuscript can be found at Open Science Framework repository: https://osf.io/3q5if/.
DOI: 10.6084/m9.figshare.1585827.v2
title: Fat king penguins are less steady on their feet

description: DataSet for publication. Method detail will be add once the paper is accepted and published
DOI: 10.6084/m9.figshare.1585827.v1
title: PlosOne

description: DataSet
DOI: 10.6084/m9.figshare.1585817
title: raw dataset for results

description: raw data for results obtained in manuscript "Overexpression of mineralocorticoid receptors partially prevents chronic stress-induced reductions in hippocampal memory and structural plasticity"
DOI: 10.6084/m9.figshare.1585819.v1
title: OTU Table showing presence/absence for PLOS paper

description: Presence absence OTU table for data set used in the described publication with Taxonomic ID. R = recruits, S = small colonies, M = medium colonies, L = large colonies, VL = very large colonies. Each line represents a different sample. SKL = skeleton from medium colonies only, T = tissue, M = mucus and A = endolithic algae.
DOI: 10.6084/m9.figshare.1585839.v1
title: Modeling of Solar Intensity via Markov Chains with Applications in Solar Energy Harvesting

description: Here, we propose a solar intensity model based on Markov chain. This model provides more accurate results for instantaneous solar intensity vector. We show that by increasing the order of Markov chain, we can achieve finer results in terms of maximum likelihood of the model matching the instantaneous data. Applying this model on the data collected from Rochester in upstate New York shows the effectiveness of our approach.
DOI: 10.6084/m9.figshare.1585732
title: Burnin estimation and convergence assessment in Bayesian phylogenetics inference

description: Supplementary data for burnin estimation and convergence assessment in Bayesian phylogenetic inference. The repository contains the complete raw data, properties, excel sheets and convergence estimates underlying all figures and tables.
DOI: 10.6084/m9.figshare.1585805
title: Storytelling in Chefchaouen Northern Morocco - recordings

description: In <em>Storytelling in Chefchaouen Northern Morocco</em> Aicha Rahmouni offers two sets of tales told by two different storytellers, and an annotated study of the oral performance.
DOI: 10.6084/m9.figshare.1585822.v1
title: Not everything looks like a nail: Learning to select appropriate decision strategies in multiple environments - Raw data from experiments

description: This is raw data from the experiment described in the following article: Stojic, H., Olsson, H., and Speekenbrink, M. (2016). "Not everything looks like a nail: Learning to select appropriate decision strategies in multiple environments", published as a preprint at PsyArXiv (https://osf.io/fma3p/). See Readme.pdf file for more detailed instructions, descriptions of variables and licence. Code used in the analysis, experimental software, as well as manuscript can be found at Open Science Framework repository: https://osf.io/3q5if/.
DOI: 10.6084/m9.figshare.1585596
title: SHERPA/RoMEO dataset

description: CONTEXTE<br>--------<br>Cette étude porte sur l'Open Access (OA). Elle cherche à déterminer quelles sont les tendances dans la politique des éditeurs en matière d'OA.<br>Les données utilisées dans cette étude proviennent de la base SHERPA/RoMEO. Elles sont au format XML et ont été obtenues via l'API.<br>Elles sont publiées sous licence CC BY-SA. Le contenu des données est le suivant: api29.green.xml<br>---------------<br>liste des éditeurs autorisant le dépôt du preprint (document soumis à l'éditeur) et du postprint (document corrigé par l'éditeur) ou de la version finale (document publié avec la mise en page de l'éditeur) dans une archive ouverte. api29.blue.xml<br>--------------<br>liste des éditeurs autorisant le dépôt du postprint (document corrigé par l'éditeur) ou de la version finale (document publié avec la mise en page de l'éditeur) dans une archive ouverte. api29.yellow.xml<br>----------------<br>liste des éditeurs autorisant le dépôt du preprint (document soumis à l'éditeur) dans une archive ouverte. api29.greenCH.xml<br>-----------------<br>liste des journaux suisses autorisant le dépôt du preprint et du postprint ou de la version finale dans une archive ouverte. api29.greenGB.xml<br>-----------------<br>liste des journaux britanniques autorisant le dépôt du preprint et du postprint ou de la version finale dans une archive ouverte. api29.greenUS.xml<br>-----------------<br>liste des journaux américains autorisant le dépôt du preprint et du postprint ou de la version finale dans une archive ouverte. Ces fichiers décrivent les éditeurs en donnant notamment leur nom, les conditions de dépôt dans une archive ouverte des preprints (can | cannot), postprints (can | cannot) et version finale (can | cannot). D'éventuelles restrictions sont également mentionnées.
DOI: 10.6084/m9.figshare.1585805.v1
title: Storytelling in Chefchaouen Northern Morocco - recordings

description: In <em>Storytelling in Chefchaouen Northern Morocco</em> Aicha Rahmouni offers two sets of tales told by two different storytellers, and an annotated study of the oral performance.
DOI: 10.6084/m9.figshare.1585732.v2
title: Burnin estimation and convergence assessment in Bayesian phylogenetics inference

description: Supplementary data for burnin estimation and convergence assessment in Bayesian phylogenetic inference. The repository contains the complete raw data, properties, excel sheets and convergence estimates underlying all figures and tables.
DOI: 10.6084/m9.figshare.1585732.v1
title: Burnin estimation and convergence assessment in Bayesian phylogenetics inference

description: Supplementary data for burnin estimation and convergence assessment in Bayesian phylogenetic inference. The repository contains the complete raw data, properties, excel sheets and convergence estimates underlying all figures and tables.
DOI: 10.6084/m9.figshare.1585537
title: Larval drift of amphidromous <i>Gobiomorphus</i> spp. in a New Zealand coastal stream: a critical spatial and temporal window for protection

description: Amphidromy is a distinct form of diadromy, involving a downstream migration (‘drift’) to a pelagic feeding habitat undertaken by exceptionally small, undeveloped larvae immediately after hatch. Identifying patterns of larval drift may indicate critical periods within which conservation measures can be targeted to protect migrating larvae. This study utilised diel and spatial drift sampling to examine patterns of larval drift in two of New Zealand's endemic eleotrid species, the bluegill bully (<i>Gobiomorphus hubbsi</i>) and the common bully (<i>G. cotidianus</i>) in the Waianakarua River, South Island, New Zealand. A distinct spatial and temporal window was identified within which the vast majority of larvae were migrating to sea, extending only a few hours after sunset and &lt; 10 km inland. Similar diel patterns of larval drift have been found in other amphidromous species, suggesting this may be a widespread migratory behaviour. Managing water takes to minimise impacts on migrating larvae within this relatively small spatial and temporal window potentially represents a management strategy that could provide safe passage to the vast majority of larval fish while minimising disruption to human activities.
DOI: 10.6084/m9.figshare.1585572
title: Водич за школе

description: Водич
DOI: 10.6084/m9.figshare.1585572.v1
title: Водич за школе

description: Водич
DOI: 10.6084/m9.figshare.1585536
title: Should breathing adapted radiotherapy also be applied for right-sided breast irradiation?

description: <i>Background</i>: Voluntary moderate deep inspiration breath-hold (vmDIBH) is widely used for left sided breast cancer patients. The purpose of this study was to investigate the usefulness of vmDIBH in local and locoregional radiation therapy (RT) of right-sided breast cancer. <i>Materials and Methods</i>: For fourteen right-sided breast cancer patients, 3D-conformal (3D-CRT) RT plans (i.e., forward IMRT) were calculated on free-breathing (FB) 3D-CRT(FB) and vmDIBHCT-scans, for local- as well as locoregional breast treatment, with and without internal mammary nodes (IMN). Dose volume parameters were compared. <i>Results</i>: For local breast treatment, no relevant reduction in mean lung dose (MLD) was found. For locoregional breast treatment without IMN, the average MLD reduced from 6.5 to 5.4 Gy (<i>p</i> p p p p = 0.07) was also found. <i>Conclusions</i>: Breathing adapted radiation therapy in left-sided breast cancer patients is becoming widely introduced. As a result of the slight reduction in lung dose found for locoregional right-sided breast cancer treatment in this study, a slightly lower risk of pneumonitis and secondary lung cancer (in ever smoking patients) can be expected.In addition, for some patients the heart dose will also be reduced by more than 0.5 up to 2.6 Gy. We therefore suggest to also apply breath-hold for locoregional irradiation of right-sided breast cancer patients.
DOI: 10.6084/m9.figshare.1585537.v2
title: Larval drift of amphidromous <i>Gobiomorphus</i> spp. in a New Zealand coastal stream: a critical spatial and temporal window for protection

description: Amphidromy is a distinct form of diadromy, involving a downstream migration (‘drift’) to a pelagic feeding habitat undertaken by exceptionally small, undeveloped larvae immediately after hatch. Identifying patterns of larval drift may indicate critical periods within which conservation measures can be targeted to protect migrating larvae. This study utilised diel and spatial drift sampling to examine patterns of larval drift in two of New Zealand's endemic eleotrid species, the bluegill bully (<i>Gobiomorphus hubbsi</i>) and the common bully (<i>G. cotidianus</i>) in the Waianakarua River, South Island, New Zealand. A distinct spatial and temporal window was identified within which the vast majority of larvae were migrating to sea, extending only a few hours after sunset and &lt; 10 km inland. Similar diel patterns of larval drift have been found in other amphidromous species, suggesting this may be a widespread migratory behaviour. Managing water takes to minimise impacts on migrating larvae within this relatively small spatial and temporal window potentially represents a management strategy that could provide safe passage to the vast majority of larval fish while minimising disruption to human activities.
DOI: 10.6084/m9.figshare.1585536.v1
title: Should breathing adapted radiotherapy also be applied for right-sided breast irradiation?

description: <i>Background</i>: Voluntary moderate deep inspiration breath-hold (vmDIBH) is widely used for left sided breast cancer patients. The purpose of this study was to investigate the usefulness of vmDIBH in local and locoregional radiation therapy (RT) of right-sided breast cancer. <i>Materials and Methods</i>: For fourteen right-sided breast cancer patients, 3D-conformal (3D-CRT) RT plans (i.e., forward IMRT) were calculated on free-breathing (FB) 3D-CRT(FB) and vmDIBHCT-scans, for local- as well as locoregional breast treatment, with and without internal mammary nodes (IMN). Dose volume parameters were compared. <i>Results</i>: For local breast treatment, no relevant reduction in mean lung dose (MLD) was found. For locoregional breast treatment without IMN, the average MLD reduced from 6.5 to 5.4 Gy (<i>p</i> p p p p = 0.07) was also found. <i>Conclusions</i>: Breathing adapted radiation therapy in left-sided breast cancer patients is becoming widely introduced. As a result of the slight reduction in lung dose found for locoregional right-sided breast cancer treatment in this study, a slightly lower risk of pneumonitis and secondary lung cancer (in ever smoking patients) can be expected.In addition, for some patients the heart dose will also be reduced by more than 0.5 up to 2.6 Gy. We therefore suggest to also apply breath-hold for locoregional irradiation of right-sided breast cancer patients.
DOI: 10.6084/m9.figshare.1585537.v1
title: Larval drift of amphidromous <i>Gobiomorphus</i> spp. in a New Zealand coastal stream: a critical spatial and temporal window for protection

description: Amphidromy is a distinct form of diadromy, involving a downstream migration (‘drift’) to a pelagic feeding habitat undertaken by exceptionally small, undeveloped larvae immediately after hatch. Identifying patterns of larval drift may indicate critical periods within which conservation measures can be targeted to protect migrating larvae. This study utilised diel and spatial drift sampling to examine patterns of larval drift in two of New Zealand's endemic eleotrid species, the bluegill bully (<i>Gobiomorphus hubbsi</i>) and the common bully (<i>G. cotidianus</i>) in the Waianakarua River, South Island, New Zealand. A distinct spatial and temporal window was identified within which the vast majority of larvae were migrating to sea, extending only a few hours after sunset and &lt; 10 km inland. Similar diel patterns of larval drift have been found in other amphidromous species, suggesting this may be a widespread migratory behaviour. Managing water takes to minimise impacts on migrating larvae within this relatively small spatial and temporal window potentially represents a management strategy that could provide safe passage to the vast majority of larval fish while minimising disruption to human activities.
DOI: 10.6084/m9.figshare.1585519
title: Data Services and Open Access Publishing

description: This presentation was part of the Data Services and Open Access Publishing workshop, hosted by Hong Kong Baptist University Library. The workshop looked to inform researchers of what librarians mean by green open access and data management was held during Open Access Week (October 2015), with many academic librarians, who work in digital scholarship and scholarly communication, also attending. By focusing on the external causes of open access and data management, the presentation sought to clarify how librarians can assist researchers by expanding their research impact, comply with funding agency requirements regarding research data availability and train graduate students in best practices.
DOI: 10.6084/m9.figshare.1585509
title: Gaussian Job Archive for C14H22Br8

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1585519.v1
title: Data Services and Open Access Publishing

description: This presentation was part of the Data Services and Open Access Publishing workshop, hosted by Hong Kong Baptist University Library. The workshop looked to inform researchers of what librarians mean by green open access and data management was held during Open Access Week (October 2015), with many academic librarians, who work in digital scholarship and scholarly communication, also attending. By focusing on the external causes of open access and data management, the presentation sought to clarify how librarians can assist researchers by expanding their research impact, comply with funding agency requirements regarding research data availability and train graduate students in best practices.
DOI: 10.6084/m9.figshare.1585509.v1
title: Gaussian Job Archive for C14H22Br8

description: Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DOI: 10.6084/m9.figshare.1585507
title: Gold prospecting using Remote Sensing ‘A case study of Sudan’

description: Gold has been extracted from northeast Africa for more than 5000 years, and this may be the first place where the metal was extracted. The Arabian-Nubian Shield (ANS) is an exposure of Precambrian crystalline rocks on the flanks of the Red Sea. The crystalline rocks are mostly Neoproterozoic in age. ANS includes the nations of Israel, Jordan. Egypt, Saudi Arabia, Sudan, Eritrea, Ethiopia, Yemen, and Somalia. Arabian Nubian Shield Consists of juvenile continental crest that formed between 900 550 Ma, when intra oceanic arc welded together along ophiolite decorated arc. Primary Au mineralization probably developed in association with the growth of intra oceanic arc and evolution of back arc. Multiple episodes of deformation have obscured the primary metallogenic setting, but at least some of the deposits preserve evidence that they originate as sea floor massive sulphide deposits.
DOI: 10.6084/m9.figshare.1585468
title: How the abundance of insects is affected by the size and condition of maple trees within close proximity, in the Danby Woods.

description: On October 13th, 2015 and Octover 20th, 2015 Muhammad Akram, Daniel Germani, Bonnie Duong and Markian Patwiak visited the Danby woods at York University in order to see if they could find a relationship between the size and conditioning of trees and the number of insects that could be found within 1m of 100 maple trees. We hypothesized that the size and conditioning of tree will have a direct correlatoin with the abundance of insects in the area. The number of insects present within a 1m^2 transect placed to the left (West) side of the tree was counted over a 60 second interval by all 4 members. Trees were categorized as either being dead and small, dead and large, alive and small, or alive and large based on greenery and evidence of trunk decay . The study took place over 2 days and over approximately 4.5 hours. On Day 1, October 13th, 2015 the data was collected from approximately 2:57pm - 5:05pm. Day 1 was a , cloudy day with moderate cloud cover, approximately 10km/h wind speed and a temperature of 15 degrees celsius. Data was collected from a total of 40 trees on this day, 10 from each category. Trees were analyzed from approximately 2:47pm-4:58pm on Day 2. It was also a moderatley cloudy day with slight precipiation throughout the time spent in the field. The temperature was at approximately 17 degrees celsius and wind speed was approximately 11km/h.
DOI: 10.6084/m9.figshare.1585468.v1
title: How the abundance of insects is affected by the size and condition of maple trees within close proximity, in the Danby Woods.

description: On October 13th, 2015 and Octover 20th, 2015 Muhammad Akram, Daniel Germani, Bonnie Duong and Markian Patwiak visited the Danby woods at York University in order to see if they could find a relationship between the size and conditioning of trees and the number of insects that could be found within 1m of 100 maple trees. We hypothesized that the size and conditioning of tree will have a direct correlatoin with the abundance of insects in the area. The number of insects present within a 1m^2 transect placed to the left (West) side of the tree was counted over a 60 second interval by all 4 members. Trees were categorized as either being dead and small, dead and large, alive and small, or alive and large based on greenery and evidence of trunk decay . The study took place over 2 days and over approximately 4.5 hours. On Day 1, October 13th, 2015 the data was collected from approximately 2:57pm - 5:05pm. Day 1 was a , cloudy day with moderate cloud cover, approximately 10km/h wind speed and a temperature of 15 degrees celsius. Data was collected from a total of 40 trees on this day, 10 from each category. Trees were analyzed from approximately 2:47pm-4:58pm on Day 2. It was also a moderatley cloudy day with slight precipiation throughout the time spent in the field. The temperature was at approximately 17 degrees celsius and wind speed was approximately 11km/h.