cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.7073198
title: CaF2(H2O)3 minima obtained at HF and MP2 levels

description: CaF2(H2O)3 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7073201
title: CaF2(H2O)4 minima obtained at HF and MP2 levels

description: CaF2(H2O)4 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file.
DOI: 10.6084/m9.figshare.7073201.v1
title: CaF2(H2O)4 minima obtained at HF and MP2 levels

description: CaF2(H2O)4 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/706m3z
title: 023.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/8dzw7v
title: 183.png

description: :unav
DOI: 10.6084/m9.figshare.7073183
title: CaF2(H2O)2 minima optimized at HF and MP2 levels

description: Minima obtained at the HF/6-31G* and MP2/6-311++G** levels of theory for CaF2(H2O)2. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/c6zrrx
title: 391.png

description: :unav
DOI: 10.6084/m9.figshare.7073183.v1
title: CaF2(H2O)2 minima optimized at HF and MP2 levels

description: Minima obtained at the HF/6-31G* and MP2/6-311++G** levels of theory for CaF2(H2O)2. Electronic energy and ZPE included in each file.
DOI: 10.26165/juelich-data/tvwuup/mdkzkn
title: 018.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/5qwnwu
title: 437.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/pvo3e7
title: 287.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/3gp8un
title: 613.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/xgjfgq
title: 412.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/kbm5j0
title: 539.png

description: :unav
DOI: 10.6084/m9.figshare.7073144
title: Synthesis and Pd-catalyzed coupling of1-<i>C</i>-stannylated glycals

description: 1-Tributylstannyl glycals were applied as versatile tools in the Pd(0)-mediated synthesis of glycal phthalonitrile conjugates. Likewise, selective homo-coupling of 1-tributylstannyl glycals furnishing C1-C1’ linked glycal dimers was investigated by using Pd(II)-species. For both Stille type couplings the rate-accelerating effect of copper(I) thiophene-2-carboxylate (CuTC) was exploited. The synthesis of stannylated glycal precursors was significantly improved by establishing a one-pot two-step procedure via glycosyl sulfoxides.
DOI: 10.6084/m9.figshare.7073144.v1
title: Synthesis and Pd-catalyzed coupling of1-<i>C</i>-stannylated glycals

description: 1-Tributylstannyl glycals were applied as versatile tools in the Pd(0)-mediated synthesis of glycal phthalonitrile conjugates. Likewise, selective homo-coupling of 1-tributylstannyl glycals furnishing C1-C1’ linked glycal dimers was investigated by using Pd(II)-species. For both Stille type couplings the rate-accelerating effect of copper(I) thiophene-2-carboxylate (CuTC) was exploited. The synthesis of stannylated glycal precursors was significantly improved by establishing a one-pot two-step procedure via glycosyl sulfoxides.
DOI: 10.26165/juelich-data/tvwuup/7yxlec
title: 076.png

description: :unav
DOI: 10.25373/ctsnet.7073093
title: Subxiphoid Uniportal Lung Volume Reduction Surgery

description: A 50-year-old woman with severe emphysema due to smoking underwent lung volume reduction surgery of her right upper lobe.<br>A subxiphoid incision measuring 2.5 cm was made, through which the telescope and video-assisted thoracoscopic instruments were introduced and the target lung was removed. Deflation of the target lung was facilitated by puncturing the lung with diathermy, though scissors may also be used. Excision was completed using reinforced staples that were administered utilizing a powered stapler. The authors recommend creating a pleural tent in upper lung volume reduction surgery to reduce air leaks. Finally, careful closure of the incision was performed, with the chest drain coming out through the subxiphoid incision.Patients must be very committed, accept personal responsibility for smoking related emphysema, and commit to leaving behind self-destructive behaviors. They must then undergo multidisciplinary assessment by the authors’ specialist “hyperinflation” team. They must also undertake intense prehabilitation.Patients are mobilized on the day of their surgery and should be prepared for discharge within 2-5 days, though sometimes recovery takes longer. Patients may go home with their chest drains still inserted. This patient left the hospital after three days with her chest drain removed, displaying an excellent clinical response. Three months later, the residual volume had reduced by 1.1 L and exercise distance was increased 70%. The St George’s Respiratory Questionnaire score had improved significantly, and the patient was keen for contralateral surgery.The authors recommend that appropriate contralateral surgery be performed as soon as possible after full recovery on the first side.
DOI: 10.26165/juelich-data/tvwuup/oouben
title: 267.png

description: :unav
DOI: 10.17632/863kxh9zvr.1
title: E-portfolio_FLA_2020

description: This data set contains students' pretest and posttest of FLA and SPSS outputs.
DOI: 10.26165/juelich-data/tvwuup/ocqog7
title: 498.png

description: :unav
DOI: 10.6084/m9.figshare.7073087
title: Visualization of Eye-Tracking Scanpaths in Autism Spectrum Disorder: Image Dataset

description: We provide a dataset that includes visualizations of eye-tracking scanpaths with a particular focus Autism Spectrum Disorder (ASD). The key idea is to transform the dynamics of eye motion into visual patterns, and hence diagnosis-related tasks could be approached using image analysis techniques. The image dataset is publicly available to be used by other studies aiming to experiment the usability of eye-tracking within the ASD context. It is believed that the dataset can allow for the development of further interesting applications using Machine Learning or image processing techniques. For more info, please refer to the publication below and the project website.<br><b>Original Publication:</b>Carette, R., Elbattah, M., Dequen, G., Guérin, J, & Cilia, F. (2019, February). Learning to predict autism spectrum disorder based on the visual patterns of eye-tracking scanpaths. <i>In Proceedings of the 12th International Conference on Health Informatics (HEALTHINF 2019).</i><i><br></i><b>Project Website:</b>https://www.researchgate.net/project/Predicting-Autism-Spectrum-Disorder-Using-Machine-Learning-and-Eye-Tracking<b><br></b><br>https://mahmoud-elbattah.github.io/ML4Autism/<br>
DOI: 10.25373/ctsnet.7073093.v2
title: Subxiphoid Uniportal Lung Volume Reduction Surgery

description: A 50-year-old woman with severe emphysema due to smoking underwent lung volume reduction surgery of her right upper lobe.<br>A subxiphoid incision measuring 2.5 cm was made, through which the telescope and video-assisted thoracoscopic instruments were introduced and the target lung was removed. Deflation of the target lung was facilitated by puncturing the lung with diathermy, though scissors may also be used. Excision was completed using reinforced staples that were administered utilizing a powered stapler. The authors recommend creating a pleural tent in upper lung volume reduction surgery to reduce air leaks. Finally, careful closure of the incision was performed, with the chest drain coming out through the subxiphoid incision.Patients must be very committed, accept personal responsibility for smoking related emphysema, and commit to leaving behind self-destructive behaviors. They must then undergo multidisciplinary assessment by the authors’ specialist “hyperinflation” team. They must also undertake intense prehabilitation.Patients are mobilized on the day of their surgery and should be prepared for discharge within 2-5 days, though sometimes recovery takes longer. Patients may go home with their chest drains still inserted. This patient left the hospital after three days with her chest drain removed, displaying an excellent clinical response. Three months later, the residual volume had reduced by 1.1 L and exercise distance was increased 70%. The St George’s Respiratory Questionnaire score had improved significantly, and the patient was keen for contralateral surgery.The authors recommend that appropriate contralateral surgery be performed as soon as possible after full recovery on the first side.
DOI: 10.26165/juelich-data/tvwuup/kpxzjk
title: 164.png

description: :unav
DOI: 10.25373/ctsnet.7073093.v1
title: Subxiphoid Uniportal Lung Volume Reduction Surgery

description: A 50-year-old woman with severe emphysema due to smoking underwent lung volume reduction surgery of her right upper lobe.<br>A subxiphoid incision measuring 2.5 cm was made, through which the telescope and video-assisted thoracoscopic instruments were introduced and the target lung was removed. Deflation of the target lung was facilitated by puncturing the lung with diathermy, though scissors may also be used. Excision was completed using reinforced staples that were administered utilizing a powered stapler. The authors recommend creating a pleural tent in upper lung volume reduction surgery to reduce air leaks. Finally, careful closure of the incision was performed, with the chest drain coming out through the subxiphoid incision.Patients must be very committed, accept personal responsibility for smoking related emphysema, and commit to leaving behind self-destructive behaviors. They must then undergo multidisciplinary assessment by the authors’ specialist “hyperinflation” team. They must also undertake intense prehabilitation.Patients are mobilized on the day of their surgery and should be prepared for discharge within 2-5 days, though sometimes recovery takes longer. Patients may go home with their chest drains still inserted. This patient left the hospital after three days with her chest drain removed, displaying an excellent clinical response. Three months later, the residual volume had reduced by 1.1 L and exercise distance was increased 70%. The St George’s Respiratory Questionnaire score had improved significantly, and the patient was keen for contralateral surgery.The authors recommend that appropriate contralateral surgery be performed as soon as possible after full recovery on the first side.
DOI: 10.6084/m9.figshare.7073072
title: LacY HDX-MS uptake plots and uptake datasets

description: LacY HDX-MS uptake plots and uptake datasets
DOI: 10.26165/juelich-data/tvwuup/b44kfb
title: 496.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/opa8ic
title: 398.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/b2izek
title: README.md

description: :unav
DOI: 10.6084/m9.figshare.7073000
title: pickups.tar.gz

description: This contains pickup files used to restart MITgcm-Michigan-Phosphorus. Model needs to be compiled with MPI and split into 24 tiles.
DOI: 10.6084/m9.figshare.7073003
title: GlpT HDX-MS uptake plots and uptake data

description: GlpT HDX-MS uptake plots and uptake data
DOI: 10.26165/juelich-data/tvwuup/5yivxo
title: 708.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/yjdfg9
title: 344.png

description: :unav
DOI: 10.6084/m9.figshare.7072988
title: XylE HDX-MS uptake plots and uptake data

description: XylE HDX-MS uptake plots and uptake data
DOI: 10.6084/m9.figshare.7073000.v1
title: pickups.tar.gz

description: This contains pickup files used to restart MITgcm-Michigan-Phosphorus. Model needs to be compiled with MPI and split into 24 tiles.
DOI: 10.26165/juelich-data/tvwuup/9kspfa
title: 265.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/jlvsul
title: 479.png

description: :unav
DOI: 10.6084/m9.figshare.7072928
title: A comparative evaluation of arid inflow-dependent vegetation maps derived from LANDSAT top-of-atmosphere and surface reflectances

description: In remote sensing, it is commonly accepted that land remote-sensing satellite (LANDSAT) top-of-atmosphere (TOA) reflectance is less accurate than atmospheric correction (AC) reflectance, as the former is not calibrated for possible modifications in the electromagnetic radiation signals due to atmospheric scattering and absorption. This article investigates whether LANDSAT data calibrated for TOA reflectance are an appropriate information source for delineating inflow-dependent vegetation (IDV) in regions with an arid and desert climate, such as the Pilbara region in Western Australia. Knowledge of where IDVs are in the landscape underpins planning their protection and define the baseline for their monitoring when water resource management options are considered. The appropriateness of TOA calibration for the delineation of IDV in the Pilbara was assessed through its comparison with IDV maps derived from AC reflectance. Both radiometric calibration methods (TOA and AC) were applied to a multi-date LANDSAT 5 TM (Thematic Mapper) dataset of 10 images acquired in 2009 and 2010. Two methods based on the application of remote-sensing techniques to identify the extent of temporally invariant vegetation were applied for IDV delineation in the study area. The first method, groundwater-dependent ecosystems mapping (GEM), employs a two-date normalized difference vegetation index (NDVI) dataset for identifying ‘no-change’ clusters of land cover and detecting those related to IDV. The second method applies principal component analysis (PCA) to a multi-date NDVI dataset. The first principal component (PC<sub>1</sub>) typically contains features that remain unchanged over time. This includes vegetation with continuous or frequent access to surface and/or groundwater, such as IDV. To delineate the extent of IDV, a thresholding technique was further employed. Spatial similarity between IDV maps produced from TOA and AC reflectance was quantitatively evaluated by the Kappa coefficient. The results showed that TOA and AC IDV maps are in ‘almost perfect’ agreement with the Kappa values above 0.83. This suggests that TOA reflectance is equally appropriate to AC reflectance for mapping in arid and desert climate such as in Pilbara. When the GEM- and PCA-based methods are applied in other study areas with arid or desert climate, the accuracy of the delineated IDV extent may vary. Therefore, the results need to be validated using ground-truth information about known IDV occurrences in the area of interest.
DOI: 10.26165/juelich-data/tvwuup/quxeol
title: 515.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/vvcybo
title: 392.png

description: :unav
DOI: 10.6084/m9.figshare.7072928.v2
title: A comparative evaluation of arid inflow-dependent vegetation maps derived from LANDSAT top-of-atmosphere and surface reflectances

description: In remote sensing, it is commonly accepted that land remote-sensing satellite (LANDSAT) top-of-atmosphere (TOA) reflectance is less accurate than atmospheric correction (AC) reflectance, as the former is not calibrated for possible modifications in the electromagnetic radiation signals due to atmospheric scattering and absorption. This article investigates whether LANDSAT data calibrated for TOA reflectance are an appropriate information source for delineating inflow-dependent vegetation (IDV) in regions with an arid and desert climate, such as the Pilbara region in Western Australia. Knowledge of where IDVs are in the landscape underpins planning their protection and define the baseline for their monitoring when water resource management options are considered. The appropriateness of TOA calibration for the delineation of IDV in the Pilbara was assessed through its comparison with IDV maps derived from AC reflectance. Both radiometric calibration methods (TOA and AC) were applied to a multi-date LANDSAT 5 TM (Thematic Mapper) dataset of 10 images acquired in 2009 and 2010. Two methods based on the application of remote-sensing techniques to identify the extent of temporally invariant vegetation were applied for IDV delineation in the study area. The first method, groundwater-dependent ecosystems mapping (GEM), employs a two-date normalized difference vegetation index (NDVI) dataset for identifying ‘no-change’ clusters of land cover and detecting those related to IDV. The second method applies principal component analysis (PCA) to a multi-date NDVI dataset. The first principal component (PC<sub>1</sub>) typically contains features that remain unchanged over time. This includes vegetation with continuous or frequent access to surface and/or groundwater, such as IDV. To delineate the extent of IDV, a thresholding technique was further employed. Spatial similarity between IDV maps produced from TOA and AC reflectance was quantitatively evaluated by the Kappa coefficient. The results showed that TOA and AC IDV maps are in ‘almost perfect’ agreement with the Kappa values above 0.83. This suggests that TOA reflectance is equally appropriate to AC reflectance for mapping in arid and desert climate such as in Pilbara. When the GEM- and PCA-based methods are applied in other study areas with arid or desert climate, the accuracy of the delineated IDV extent may vary. Therefore, the results need to be validated using ground-truth information about known IDV occurrences in the area of interest.
DOI: 10.26165/juelich-data/tvwuup/tkfqou
title: 714.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/qxqqzh
title: 486.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/worvbc
title: 618.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/d3wf7z
title: 417.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/8xdbdy
title: 614.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/n6w5gv
title: 216.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/9q2sdd
title: 581.png

description: :unav
DOI: 10.6084/m9.figshare.7072871
title: Occurrence of ice-rafted erratics and the petrology of the KR1 seamount trail from the Australian–Antarctic Ridge

description: A multi-disciplinary study of the KR1 segment of the Australian–Antarctic Ridge has been conducted since 2011. We present geochemical and age dating results for samples dredged from three sites on the KR1 seamount trail. The majority of the samples are alkaline ocean island basalts with subdominant enriched tholeiites. The samples from the DG05 bathymetric depression include ice-rafted erratics from Antarctica, which consist of gabbro, diabase, various granitoids, volcanic rocks such as trachyte and rhyolite and deformed or undeformed sedimentary rocks. The main provenance of glacial erratics is considered to be the Ross Sea region. However, Carboniferous to Cretaceous ages of erratics indicate that some of these may originate from the western regions of West Antarctica. Based on the size and topography of the volcanic features and geochemical characteristics of the alkaline ocean island basalts (La/Sm<sub>N</sub> = 2.62–3.88; Tb/Yb<sub>N</sub> = 1.54–2.67) and the enriched tholeiites, the KR1 seamount trail is interpreted to be a submarine hotspot chain that is the product of alkaline volcanic eruption and seafloor spreading.
DOI: 10.6084/m9.figshare.7072871.v1
title: Occurrence of ice-rafted erratics and the petrology of the KR1 seamount trail from the Australian–Antarctic Ridge

description: A multi-disciplinary study of the KR1 segment of the Australian–Antarctic Ridge has been conducted since 2011. We present geochemical and age dating results for samples dredged from three sites on the KR1 seamount trail. The majority of the samples are alkaline ocean island basalts with subdominant enriched tholeiites. The samples from the DG05 bathymetric depression include ice-rafted erratics from Antarctica, which consist of gabbro, diabase, various granitoids, volcanic rocks such as trachyte and rhyolite and deformed or undeformed sedimentary rocks. The main provenance of glacial erratics is considered to be the Ross Sea region. However, Carboniferous to Cretaceous ages of erratics indicate that some of these may originate from the western regions of West Antarctica. Based on the size and topography of the volcanic features and geochemical characteristics of the alkaline ocean island basalts (La/Sm<sub>N</sub> = 2.62–3.88; Tb/Yb<sub>N</sub> = 1.54–2.67) and the enriched tholeiites, the KR1 seamount trail is interpreted to be a submarine hotspot chain that is the product of alkaline volcanic eruption and seafloor spreading.
DOI: 10.26165/juelich-data/tvwuup/p3pkvl
title: 632.png

description: :unav
DOI: 10.6084/m9.figshare.7072868
title: Corncob and sugar beet pulp induce specific sets of lignocellulolytic enzymes in <i>Penicillium purpurogenum</i>

description: <i>Penicillium purpurogenum</i> is a filamentous fungus, which grows on a variety of natural carbon sources and secretes a large number of enzymes involved in cellulose, hemicelluloses and pectin biodegradation. The purpose of this work has been to identify potential lignocellulolytic enzymes and to compare the secreted enzymes produced when the fungus is grown on sugar beet pulp (rich in cellulose and pectin) and corn cob (rich in cellulose and xylan). Culture supernatants were subjected to two-dimensional nano-liquid chromatography/tandem mass spectrometry. Using MASCOT and a genome-derived protein database, the proteins present in the supernatant were identified. The putative function in the degradation of the polysaccharides was determined using dbCAN software. The results show that there is a good correlation between the polysaccharide composition of the carbon sources and the function of the secreted enzymes: both cultures are rich in cellulases, while sugar beet pulp induces pectinases and corncob, xylanases. The eventual biochemical characterisation of these enzymes will be of value for a better understanding of the biodegradation process performed by the fungus and increase the availability of enzymes for biotechnological methods associated with this process.
DOI: 10.26165/juelich-data/tvwuup/bo2i1y
title: 057.png

description: :unav
DOI: 10.6084/m9.figshare.7072868.v1
title: Corncob and sugar beet pulp induce specific sets of lignocellulolytic enzymes in <i>Penicillium purpurogenum</i>

description: <i>Penicillium purpurogenum</i> is a filamentous fungus, which grows on a variety of natural carbon sources and secretes a large number of enzymes involved in cellulose, hemicelluloses and pectin biodegradation. The purpose of this work has been to identify potential lignocellulolytic enzymes and to compare the secreted enzymes produced when the fungus is grown on sugar beet pulp (rich in cellulose and pectin) and corn cob (rich in cellulose and xylan). Culture supernatants were subjected to two-dimensional nano-liquid chromatography/tandem mass spectrometry. Using MASCOT and a genome-derived protein database, the proteins present in the supernatant were identified. The putative function in the degradation of the polysaccharides was determined using dbCAN software. The results show that there is a good correlation between the polysaccharide composition of the carbon sources and the function of the secreted enzymes: both cultures are rich in cellulases, while sugar beet pulp induces pectinases and corncob, xylanases. The eventual biochemical characterisation of these enzymes will be of value for a better understanding of the biodegradation process performed by the fungus and increase the availability of enzymes for biotechnological methods associated with this process.
DOI: 10.26165/juelich-data/tvwuup/0l0sib
title: 616.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/pfgqap
title: 668.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/z1b01s
title: 327.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/eei2mt
title: 054.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/v1aysa
title: 291.png

description: :unav
DOI: 10.26165/juelich-data/tvwuup/buov2x
title: 651.png

description: :unav