cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc1kl88p
title: CCDC 1447522: Experimental Crystal Structure Determination

description: Related Article: Brian Samas|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kl89q
title: CCDC 1447523: Experimental Crystal Structure Determination

description: Related Article: Brian Samas|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kl8cs
title: CCDC 1447525: Experimental Crystal Structure Determination

description: Related Article: Brian Samas|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kl8dt
title: CCDC 1447526: Experimental Crystal Structure Determination

description: Related Article: Brian Samas|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kq45l
title: CCDC 1451239: Experimental Crystal Structure Determination

description: Related Article: Peter N. Horton, Martin C. Grossel|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5523/bris.2a2yi8s0fv1q22ubogxb26y0an
title: 20191204_Data_Potts_PhD_Network_Perpsective_System_Architecture

description: This dataset contains data that enables the reproduction of the network models of two enterprise system architectures; a Search and Rescue (SAR) use case, and a Military Communications (MComms) use case, used in the PhD research.
DOI: 10.6073/pasta/051f552fdaf1428df60ddeb72a7d184c
title: Saturated and unsaturated hydraulic conductivity for Saddle Stream Network, 2017

description: Saturated and unsaturated hydraulic conductivity are important surface
  hydrologic properties that dictate the how fast water moves into the
  subsurface. Saturated and unsaturated hydraulic conductivity were
  measured at approximately 25 locations throughout the Niwot Ridge
  Saddle Stream Catchment in 2017. Saturated hydraulic conductivity was
  calculated from saturated infiltration rates determined using a
  single-ring infiltrometer. Unsaturated hydraulic conductivity was
  calculated from unsaturated infiltration rates determined using a
  mini-disk portable tension infiltrometer. Both measurements had over
  an order of magnitude variation across the catchment, suggesting a
  wide range in hydrologic function. Replicate measurements within 1m^2
  were often comparable, but at some sites showed large differences.
  These differences likely reflect the small-scale variability in
  subsurface characteristics across the catchment.
DOI: 10.6073/pasta/203daf080eae3403e1f900292c4fd0fb
title: Stream water chemistry data for Como creek, 1998-2013

description: Surface water chemistry samples were taken from the Como Creek catchment located on and below the southeast flank of Niwot Ridge (40°N, 105°W) in Colorado, USA, approximately 4–9 km east of the Continental Divide. The catchment is 5.36 km2 in area and ranges in elevation from 2900 to 3560 m. Measurements began in 1998 and continue through 2013.
DOI: 10.6084/m9.figshare.6626549.v6
title: Reference dataset for sea ice concentration

description: 20190305: The 20190305 update (2.2.1) includes some updated CRREL-IMB based datafiles replacing a few empty files in the 20190207 version (2.2).20190207: Note that there was a bug in our reading of the accumulated ERA-I fields in the original dataset. For time series analysis (CRREL-IMB and OIB-backtrack), please use the ERAreruns dataset now also available here.In version 2.2 (2019-02-07) of the dataset and manual, this issue has been described and corrected. We recommend that all users use version 2.2. <br>The RRDP is a set of comma separated ASCII files which contain reference sea ice concentrations and/or other relevant data and co-located NWP data from ERA-Interim, satellite Brightness Temperatures (TBs) extracted from the AMSR-E/AMSR2 swath datasets, ASCAT, QuikSCAT, SMOS and SMAP data to be used to for ice concentration calculations and evaluations. The dataset is easy to use by reading the files line by line, calculate Sea Ice Concentration from the given TBs and compare with the given reference SIC. Please read the included manual for additional information
DOI: 10.5281/zenodo.7145355
title: Dataset for "Robust magnetic order upon ultrafast excitation of an antiferromagnet"

description: This is the dataset for the publication on 'Advanced Materials Interfaces' with publication DOI: 10.1002/admi.202201340. The dataset contains the raw trARPES experimental data and the normalized magnetic x-ray diffraction amplitude dynamics (published in https://doi.org/10.1038/s42005-020-00407-0) of GdRh2Si2. - 'trARPES_T_20K_static_MX_cube.nxs' contains a cube of trARPES intensity along the MX cut of the surface Brillouin zone presented in Figure 1-b. - 'trARPES_T_20K_fl_(number).nxs' series contain temporal evolution of raw trARPES intensity measured at sample temperature of 20 K with pump fluence of (number) mJ/cm^2. Figure 2 a-d, 3, 4, 5 b-d, B1, C1 used these trARPES intensity evolution. - 'trARPES_T_150K_fl_(number).nxs' series contain temporal evolution of raw trARPES intensity measured at sample temperature of 150 K (above T_N) with pump fluence of (number) mJ/cm^2. Figure A1 used these trARPES intensity evolution. - 'trRXD_T_20K_fl_(number).txt' series contain temporal evolution of AF order parameter of GdRh2Si2 measured at sample temperature of 20 K with pump fluence of (number) mJ/cm^2. Figure 2-e, 4, 5 used these trRXD amplitude evolution.
description: We thank the Helmholtz-Zentrum Berlin f ̈ur Materialien und Energie for the allocation of synchrotronradiation beamtime. The experimental support of the staff at beamlines UE56/1 (HZB), X11MA (SLS), and PM3 (HZB) is gratefully acknowledged. This work received funding from the Deutsche Forschungsgemeinscahft (DFG, German Research Foundation) within the Emmy Noether program (Grant No. RE 3977/1), within the Transregio TRR 227 - 328545488 Ultrafast Spin Dynamics (Projects A03, A08, and A09), within TRR 288 - 422213477 (Project A03), SFB1143 (No. 247310070) and within Grant No. 282 KR3831/5-1. Funding was also received from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (Grant Agreement Number ERC-2015-CoG-682843). We also thank support from the Spanish Ministry of Science and Innovation, project PID2020-116093RB-C44, funded by MCIN/ AEI/10.13039/501100011033.
description: {"references": ["Windsor, Y.W., Ernst, A., Kummer, K. et al. Deterministic control of an antiferromagnetic spin arrangement using ultrafast optical excitation. Commun Phys 3, 139 (2020). https://doi.org/10.1038/s42005-020-00407-0"]}
DOI: 10.5517/cc1kl8fv
title: CCDC 1447527: Experimental Crystal Structure Determination

description: Related Article: Kraig A. Wheeler, Meghan E. Breen|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kl8gw
title: CCDC 1447528: Experimental Crystal Structure Determination

description: Related Article: Kraig A. Wheeler, Meghan E. Breen|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kl8hx
title: CCDC 1447529: Experimental Crystal Structure Determination

description: Related Article: Kraig A. Wheeler,  Gregory W. Hopkins|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc1kl8jy
title: CCDC 1447530: Experimental Crystal Structure Determination

description: Related Article: Joval C. Afalla, Bruce M. Foxman|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccpbksb
title: CCDC 635772: Experimental Crystal Structure Determination

description: Related Article: A.V.Churakov|2007|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6073/pasta/82fd3feabda2b0e200ef4b85bc18a5ea
title: Streamflow data for Como creek, 2006 - 2014

description: This is a summary of discharge from the Como Creek catchment located on and below the southeast flank of Niwot Ridge (40°N, 105°W) in Colorado, USA, approximately 4–9 km east of the Continental Divide. The catchment is 5.36 km2 in area and ranges in elevation from 2900 to 3560 m. Discharge is calculated from tenminute data from a pressure transducer located in a stilling well, and weekly stage and velocity measurements from the center of the weir. Measurements began in 2004 and continue through 2014, with a gap in 2013 during which the pressure transducer was damaged.
DOI: 10.5281/zenodo.3885610
title: Numerical data and post-processing material

description: Source data and post-processing scripts iso_acetone contains:<br> x,y,z subdirectories of the individual x-y-z-boost calculations.<br> Data and post-processing instructons for the<br> absorption spectrum of isolated acetone molecule emb_acetone contains:<br> data/x,data/y,data/z subdirectories of the individual x-y-z-boost calculations.<br> Data and post-processing instructons for the<br> absorption spectrum of embedded acetone molecule in the water cluster. w_in_w_source contains:<br> iso,w1_iter,w2_iter,w3_iter_w4_iter,w5_iter<br> subdirectories of z-boost calculations for isolated water<br> and embedded water (1 up to 5 embedding water molecules)<br> Data and post-processing instruction to obtain spectra. comp_constraints contains:<br> Fig7 and Fig8 data and post-processing instructions<br> to obtain Figs. 7 and 8 of Section 4.5
DOI: 10.5517/cc1kl8br
title: CCDC 1447524: Experimental Crystal Structure Determination

description: Related Article: Brian Samas|2016|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6073/pasta/458c3932f7786b1da02a9c900baf594b
title: Snow-Off Digital Terrain Model (DTM) from 2010 LiDAR for the Boulder Creek Critical
            Zone Observatory (CZO), Colorado
DOI: 10.6084/m9.figshare.21220277
title: Supplementary Material for: Should CKD EPI equation be used for estimation of glomerular filtration rate in obese subjects?

description: Introduction: Pandemic of obesity is strongly related to increase of chronic kidney disease (CKD) prevalence. Currently recommended CKD EPI equation has several serious limitations particularly in obese subjects who have high body surface area (BSA). The aim of our study was to analyze differences in the prevalence of CKD between CKD EPI and de-indexed equations where individual BSA was used. Methods: In total of 2058 subjects (random sample from general rural population, 29.65% obese) BSA was estimated using Dubois&Dubois and Moesteller equations and included into the de-indexed equations (CKD Di, CKD Mi). CKD was classified according to the KDIGO guidelines and glomerular hyperfiltration (GHF) was defined as 95th percentile according the gender and age decade. Results: In obese subjects, prevalence of CKD was significantly higher with CKD EPI than with CKD Di and CKD Mi equations (9.5%, 6.1%, 5.3%, respectively; p&lt;0.001), while prevalence of GHF was significantly lower (3.8%, 12.3%, 12.8%, respectively; p&lt;0.001). Opposite results were observed in subjects with BMI&lt;25 kg/m2 for CKD (5%, 7.1%, 7.2%; p=0.07) and GHF prevalence (6.1%, 1%, 0.6%; p&lt;0.001). Discussion/Conclusions: The prevalence of CKD is overestimated, and the prevalence of GHF is under-estimated in obese subjects using CKD EPI equation, i.e. CKD EPI equation is unreliable in one third of population. De-indexed equations should be recommended instead of CKD EPI equation in epidemiological studies until directly measurement of GFR become more available.
DOI: 10.6084/m9.figshare.21505996
title: Antinociceptive effect of N-(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-yl)-2-hydroxybenzamide on different pain models in mice

description: Abstract N-(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-yl)-2-hydroxybenzamide (DDIAHB) is a new drug developed through molecular modelling and rational drug design by the molecular association of epinastine and salicylic acid. The present study was designed to assess the possible antinociceptive effects of DDIAHB on different pain models in male ICR mice. DDIAHB exerted the reductions of writhing numbers and pain behavior observed during the second phase in the formalin test in a dose-dependent manner. Moreover, DDIAHB increased the latency in the hot-plate test in a dose-dependent manner. Furthermore, intragastric administration DDIAHB caused reversals of decreased pain threshold observed in both streptozotocin-induced diabetic neuropathy and vincristine-induced peripheral neuropathy models. Additionally, intragastric pretreatment with DDIAHB also caused reversal of decreased pain threshold observed in monosodium urate-induced pain model. We also characterized the possible signaling molecular mechanism of the antinociceptive effect-induced by DDIAHB in the formalin model. DDIAHB caused reductions of spinal iNOS, p-STAT3, p-ERK and p-P38 levels induced by formalin injection. Our results suggest that DDIAHB shows an antinociceptive property in various pain models. Moreover, the antinociceptive effect of DDIAHB appear to be mediated by the reductions of the expression of iNOS, p-STAT3, p-ERK and p-P38 levels in the spinal cord in the formalin-induced pain model.
DOI: 10.6084/m9.figshare.21505996.v1
title: Antinociceptive effect of N-(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-yl)-2-hydroxybenzamide on different pain models in mice

description: Abstract N-(9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-yl)-2-hydroxybenzamide (DDIAHB) is a new drug developed through molecular modelling and rational drug design by the molecular association of epinastine and salicylic acid. The present study was designed to assess the possible antinociceptive effects of DDIAHB on different pain models in male ICR mice. DDIAHB exerted the reductions of writhing numbers and pain behavior observed during the second phase in the formalin test in a dose-dependent manner. Moreover, DDIAHB increased the latency in the hot-plate test in a dose-dependent manner. Furthermore, intragastric administration DDIAHB caused reversals of decreased pain threshold observed in both streptozotocin-induced diabetic neuropathy and vincristine-induced peripheral neuropathy models. Additionally, intragastric pretreatment with DDIAHB also caused reversal of decreased pain threshold observed in monosodium urate-induced pain model. We also characterized the possible signaling molecular mechanism of the antinociceptive effect-induced by DDIAHB in the formalin model. DDIAHB caused reductions of spinal iNOS, p-STAT3, p-ERK and p-P38 levels induced by formalin injection. Our results suggest that DDIAHB shows an antinociceptive property in various pain models. Moreover, the antinociceptive effect of DDIAHB appear to be mediated by the reductions of the expression of iNOS, p-STAT3, p-ERK and p-P38 levels in the spinal cord in the formalin-induced pain model.
DOI: 10.6084/m9.figshare.21505997
title: In vitro evaluation of the cytotoxicity and eye irritation potential of preservatives widely used in cosmetics

description: Abstract The consumption of cosmetics has been increasing every year and is expected to reach $675 billion by 2020 at an estimated growth rate of 6.4% per year. Exposure to skin irritants is the major cause of non-immunological inflammation of the skin. Therefore, the safety evaluation of cosmetic preservatives should be increased. Thus, the present work aimed to evaluate the cytotoxicity as the viability endpoint and the eye irritation potential of preservatives used in cosmetics. Cytotoxicity assays were performed using MTT and NRU in human keratinocytes (HaCaT), human dermal fibroblasts, adult (HDFa), and human hepatoma cells (HepG2). The eye irritation potential was evaluated using the Hen’s Egg Test-chorioallantoic membrane (HET-CAM). The evaluated preservatives were methylparaben (MP), propylparaben (PP), phenoxyethanol (PE), and a mixture of methylchloroisothiazolinone and methylisothiazolinone (CMI/MI). All preservatives showed cytotoxic potential within the permitted concentrations for use in cosmetic products. In the HET-CAM test, PE and CMI/MI, MP, and PP were classified as severe, moderate, and poor irritants, respectively. Our results indicate that proper safety evaluations are required to ensure the beneficial properties of preservatives on cosmetic products without exceeding exposure levels that would result in adverse health effects for consumers.
DOI: 10.6084/m9.figshare.21505997.v1
title: In vitro evaluation of the cytotoxicity and eye irritation potential of preservatives widely used in cosmetics

description: Abstract The consumption of cosmetics has been increasing every year and is expected to reach $675 billion by 2020 at an estimated growth rate of 6.4% per year. Exposure to skin irritants is the major cause of non-immunological inflammation of the skin. Therefore, the safety evaluation of cosmetic preservatives should be increased. Thus, the present work aimed to evaluate the cytotoxicity as the viability endpoint and the eye irritation potential of preservatives used in cosmetics. Cytotoxicity assays were performed using MTT and NRU in human keratinocytes (HaCaT), human dermal fibroblasts, adult (HDFa), and human hepatoma cells (HepG2). The eye irritation potential was evaluated using the Hen’s Egg Test-chorioallantoic membrane (HET-CAM). The evaluated preservatives were methylparaben (MP), propylparaben (PP), phenoxyethanol (PE), and a mixture of methylchloroisothiazolinone and methylisothiazolinone (CMI/MI). All preservatives showed cytotoxic potential within the permitted concentrations for use in cosmetic products. In the HET-CAM test, PE and CMI/MI, MP, and PP were classified as severe, moderate, and poor irritants, respectively. Our results indicate that proper safety evaluations are required to ensure the beneficial properties of preservatives on cosmetic products without exceeding exposure levels that would result in adverse health effects for consumers.
DOI: 10.6084/m9.figshare.21506003
title: Post-traumatic stress disorder and congenital anomalies in prenatal care

description: Abstract Objective: to assess post-traumatic stress disorder (PTSD) symptoms in pregnant women diagnosed with congenital anomaly. Methods: his is a quantitative and cross-correlational study. The sample consisted of 111 pregnant women diagnosed with congenital anomaly between 2013 and 2014. We used a semi-structured questionnaire and the Impact of Events Scale - Revised (IES-R). For statistical analysis, the chi-square test, Student’s t test or Mann-Whitney test, Cronbach Alpha coefficients, Pearson’s correlation and simple linear regression models. Results: viable congenital anomalies corresponded to 66.6%, and non-viable, to 33.3%. The average of all areas of IES-R, as well as the sum of matters concerning IES-R, were high in all pregnant women diagnosed with congenital anomaly. Using a cut of 5.6 units in the IES-Rtotal score, we found that 46.8% of pregnant women diagnosed with a congenital anomaly showed PTSD symptoms; however, symptoms were more frequent among pregnant women diagnosed with non-viable congenital anomaly (64.9%). The IES-R intrusion and hyperstimulation dimensions were more correlated. We observed a decreasing connection with PTSD symptoms in relation to the time of the notification of congenital anomaly diagnosis. Conclusions: PTSD symptoms were more frequent in pregnant women diagnosed with non-viable congenital anomaly.