cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc20z1mp
title: CCDC 1875922: Experimental Crystal Structure Determination

description: Related Article: Per H Svensson and Jan Bergman|2023|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/ccdc.csd.cc20z1nq
title: CCDC 1875923: Experimental Crystal Structure Determination

description: Related Article: Per H Svensson and Jan Bergman|2023|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/ccdc.csd.cc22358n
title: CCDC 1909670: Experimental Crystal Structure Determination

description: Related Article: A. Abdallah, O. Guillou, C. Daiguebonne|2023|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/ccdc.csd.cc23jrhx
title: CCDC 1952519: Experimental Crystal Structure Determination

description: Related Article: DHIRAJ DAS, Manish Yadav, Labhini Singla, Atul Kumar, Maheswararao Karanam, Sagarika Dev, Angshuman Roychoudhury|2023|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/ccdc.csd.cc23mzwm
title: CCDC 1955631: Experimental Crystal Structure Determination

description: Related Article: Angshuman Roy Choudhury|2023|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/ccdc.csd.cc21nr8r
title: CCDC 1896774: Experimental Crystal Structure Determination

description: Related Article: Piotr Rejnhardt, Marek Drozd, Marek Daszkiewicz|2023|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/ccdc.csd.cc21nr9s
title: CCDC 1896775: Experimental Crystal Structure Determination

description: Related Article: Piotr Rejnhardt, Marek Drozd, Marek Daszkiewicz|2023|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/ccdc.csd.cc2450p1
title: CCDC 1971032: Experimental Crystal Structure Determination

description: Related Article: Jian Cao, Yun-Xiang Xu|2023|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/ccdc.csd.cc250fc0
title: CCDC 1996411: Experimental Crystal Structure Determination

description: Related Article: Elżbieta Wojaczyńska, Marek Daszkiewicz|2023|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/ccdc.csd.cc25tjdy
title: CCDC 2020530: Experimental Crystal Structure Determination

description: Related Article: Elżbieta Wojaczyńska, Marek Daszkiewicz|2023|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/ccdc.csd.cc26kgfp
title: CCDC 2042572: Experimental Crystal Structure Determination

description: Related Article: Zhan-Yong Wang,Qingling Liu,Kai-Kai Wang,Menghan Liu,Yafei Han,Aili Sun,Xueji  Ma|2023|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/ccdc.csd.cc27fc9c
title: CCDC 2068422: Experimental Crystal Structure Determination

description: Related Article: Baoqiu Yu|2023|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: 10.6084/m9.figshare.24243373
title: Supplementary Material for: Efficacy of a Self-Directed Video-based Caregiver-Implemented Language Programme

description: Introduction. Caregiver-implemented language programmes are effective for alleviating early language difficulties. This study examined the efficacy of a self-directed video-based caregiver-implement language programme in Chinese families. Method. This study consisted of two stages. In Stage 1, 31 caregiver-child dyads (typically developing children) completed the training programme (Group 1) in the form of six video-based training modules. In Stage 2, 28 caregiver-child dyads (children with language difficulties) receiving active speech therapy were randomly assigned to the training (Group 2) and control arms (Group 3). Group 2 received the same training as Group 1 in addition to their regular therapy while Group 3 was kept as status quo. Caregivers completed a quiz on their knowledge of language facilitation techniques (LFTs) and submitted caregiver-child interaction videos at the start and end of the training. Outcome measures included programme completion rate, quiz scores, and use of LFTs and children’s communication skills in the videos. A pre-post design and a between-group designs were adopted in the Stage 1 and 2 studies respectively. Results. A completion rate of about 60% in both stages was noted. Significantly higher post-training knowledge scores were found in Groups 1 and 2. General but non-significant growth in use of parallel talk and gesture, and significant gains in children’s vocalization in the training arm were observed. Conclusion. The self-directed video-based training programme would be useful in imparting information to caregivers. However, the modest improvements in the use of LFTs suggested direct coaching appeared to still play a significant role in enhancing the actual implementation of LFTs. Further investigation on a larger scale is required to evaluate the effectiveness of the training program for promoting the wider use of this mode as a preventive measure.
DOI: 10.6084/m9.figshare.24243373.v1
title: Supplementary Material for: Efficacy of a Self-Directed Video-based Caregiver-Implemented Language Programme

description: Introduction. Caregiver-implemented language programmes are effective for alleviating early language difficulties. This study examined the efficacy of a self-directed video-based caregiver-implement language programme in Chinese families. Method. This study consisted of two stages. In Stage 1, 31 caregiver-child dyads (typically developing children) completed the training programme (Group 1) in the form of six video-based training modules. In Stage 2, 28 caregiver-child dyads (children with language difficulties) receiving active speech therapy were randomly assigned to the training (Group 2) and control arms (Group 3). Group 2 received the same training as Group 1 in addition to their regular therapy while Group 3 was kept as status quo. Caregivers completed a quiz on their knowledge of language facilitation techniques (LFTs) and submitted caregiver-child interaction videos at the start and end of the training. Outcome measures included programme completion rate, quiz scores, and use of LFTs and children’s communication skills in the videos. A pre-post design and a between-group designs were adopted in the Stage 1 and 2 studies respectively. Results. A completion rate of about 60% in both stages was noted. Significantly higher post-training knowledge scores were found in Groups 1 and 2. General but non-significant growth in use of parallel talk and gesture, and significant gains in children’s vocalization in the training arm were observed. Conclusion. The self-directed video-based training programme would be useful in imparting information to caregivers. However, the modest improvements in the use of LFTs suggested direct coaching appeared to still play a significant role in enhancing the actual implementation of LFTs. Further investigation on a larger scale is required to evaluate the effectiveness of the training program for promoting the wider use of this mode as a preventive measure.
DOI: 10.6084/m9.figshare.24243223
title: 2019-09-06 MAID in DC Data

description: Importance: Legalization of physician assisted suicide (“PAS”) has given rise to concerns regarding the potential for PAS to impact patient-provider trust, particularly in historically marginalized populations.<br>Objective: This study aims to empirically assess whether PAS legalization undermines patient trust, with considerations of potential trust/demographic correlations in marginalized and minority patient populations.<br>Design: A sample of patients (N=538) from three locations at “.” (inpatient units, outpatient rooms, and ED) were recruited to participate in a RCT survey from June to August of 2019. The intervention involved randomly informing half of the patients that PAS had been legalized in Washington D.C. The survey included demographic and health-related questions and assessed patient trust in the medical professional using the Abbreviated Wake Forest Scale (“AWFS”).<br>Setting: The study took place within a not-for-profit, 912-bed academic and research center in Washington, D.C. Trained research assistants recruited a convenience sample of eligible respondents from three locations at “.”: inpatient units (general medicine units, general surgery, cardiac, and oncology units), outpatient treatment rooms in the Infusion Center, and the Emergency Department. Respondents recruited from the Emergency Department had been evaluated by an “.” physician and were awaiting admission. Recruitment time and location were varied by day of the week and time of day.<br>Participants: To be eligible to participate, respondents were required to be “.” patients who were 18 and over, English-speaking, and have decision-making capacity. Researchers extended 782 invitations; 538 surveys were returned; 9 were excluded from analysis because of failure to confirm lack of prior participation. In summary, 494 patients answered all five Trust Score questions, for an overall response rate of 67.6% and a Trust Score completion rate of 63.2%. 371 (70.1%) respondents identified as Black or African-American, 97 (18.3%) as white, and the remaining as non-white, non-Black or African American, or did not say. A majority(60.1%) identified as female, 39.1% as male, and .8% as nonbinary or other, nearly a third (32.9%) identified as having a physical or mental disability, and respondents were evenly stratified by age: 18 to 40 (32.1%), 41 to 60 (33.1%), and 61 and over (35.2%).
DOI: 10.6084/m9.figshare.24243223.v1
title: 2019-09-06 MAID in DC Data

description: Importance: Legalization of physician assisted suicide (“PAS”) has given rise to concerns regarding the potential for PAS to impact patient-provider trust, particularly in historically marginalized populations.<br>Objective: This study aims to empirically assess whether PAS legalization undermines patient trust, with considerations of potential trust/demographic correlations in marginalized and minority patient populations.<br>Design: A sample of patients (N=538) from three locations at “.” (inpatient units, outpatient rooms, and ED) were recruited to participate in a RCT survey from June to August of 2019. The intervention involved randomly informing half of the patients that PAS had been legalized in Washington D.C. The survey included demographic and health-related questions and assessed patient trust in the medical professional using the Abbreviated Wake Forest Scale (“AWFS”).<br>Setting: The study took place within a not-for-profit, 912-bed academic and research center in Washington, D.C. Trained research assistants recruited a convenience sample of eligible respondents from three locations at “.”: inpatient units (general medicine units, general surgery, cardiac, and oncology units), outpatient treatment rooms in the Infusion Center, and the Emergency Department. Respondents recruited from the Emergency Department had been evaluated by an “.” physician and were awaiting admission. Recruitment time and location were varied by day of the week and time of day.<br>Participants: To be eligible to participate, respondents were required to be “.” patients who were 18 and over, English-speaking, and have decision-making capacity. Researchers extended 782 invitations; 538 surveys were returned; 9 were excluded from analysis because of failure to confirm lack of prior participation. In summary, 494 patients answered all five Trust Score questions, for an overall response rate of 67.6% and a Trust Score completion rate of 63.2%. 371 (70.1%) respondents identified as Black or African-American, 97 (18.3%) as white, and the remaining as non-white, non-Black or African American, or did not say. A majority(60.1%) identified as female, 39.1% as male, and .8% as nonbinary or other, nearly a third (32.9%) identified as having a physical or mental disability, and respondents were evenly stratified by age: 18 to 40 (32.1%), 41 to 60 (33.1%), and 61 and over (35.2%).
DOI: 10.17031/64f0806dc069a
title: 2009-2013 David Fenwick Cornwall Ad-hoc Rockpooling Sightings

description: A collection of ad hoc rockpool sightings.
DOI: 10.6084/m9.figshare.24243379
title: Supplementary Material for: Two distinct characteristics of immune microenvironment in human hepatocellular carcinoma with Wnt/β-catenin mutations

description: Introduction Immunotherapy is becoming a promising approach for unresectable-hepatocellular carcinoma (HCC); the anti-tumor response is affected by the tumor microenvironment (TME). Although Wnt/β-catenin mutations are reported to cause non-inflamed phenotype, their role on TME remains controversial. We aimed to clarify the heterogeneity of immunophenotype in HCC with Wnt/β-catenin mutations. Methods This study includes 152 resected HCCs; mutations in the catenin beta-1, adenomatous polyposis coli, or AXIN1, or AXIN2 genes were defined as Wnt/β-catenin mutations. With hierarchical cluster analyses, TME were classified into inflamed or non-inflamed classes based on the gene expressions associated with T-cell activation. Expression profiles of molecules related to cell differentiation and biliary-stem cell markers were compared between the TME classes to investigate whether differences in tumor traits were associated with TME. Results Forty of 152 (26.3%) HCCs carried the Wnt/β-catenin mutations. Of these, 33 were classified as non-inflamed (33/40, 82.5%) and 7 as inflamed (7/40, 17.5%). Non-inflamed class was characterized by low number of CD3+, CD4+, and CD8+ cells on immunostaining, and high mRNA expressions of AXIN2 and GLUL, which are involved in the canonical Wnt/β-catenin signaling and hepatocyte differentiation, respectively. Non-inflamed tumors showed higher enhancement on the hepatobiliary-phase of gadolinium-ethoxybenzyl-diethylenetriamine (Gd-EOB-DTPA)-enhanced magnetic resonance imaging (MRI) compared to inflamed tumors. HCCs classified as inflamed class are revealed to have high numbers of CD3+, CD4+, and CD8+ tumor infiltrating lymphocytes on immunostaining. This class is associated with increased expression of anti-epithelial cell adhesion molecule (EpCAM) and FOXM1 accompanied by upregulation of genes related to interferon-gamma signaling, dendritic cell migration, regulatory T cells and MDSC activation and recognized as low enhancement nodule on Gd-EOB-DTPA-enhanced MRI. Conclusion Heterogeneity of tumor traits and TME was observed in HCC with Wnt/β-catenin mutation. The potential was indicated that tumor traits and TME are determined not only by the activation of the HNF4A but also by FOXM1, both of which are downstream transcription factor of the Wnt/β-catenin signaling pathway.
DOI: 10.6084/m9.figshare.24243379.v1
title: Supplementary Material for: Two distinct characteristics of immune microenvironment in human hepatocellular carcinoma with Wnt/β-catenin mutations

description: Introduction Immunotherapy is becoming a promising approach for unresectable-hepatocellular carcinoma (HCC); the anti-tumor response is affected by the tumor microenvironment (TME). Although Wnt/β-catenin mutations are reported to cause non-inflamed phenotype, their role on TME remains controversial. We aimed to clarify the heterogeneity of immunophenotype in HCC with Wnt/β-catenin mutations. Methods This study includes 152 resected HCCs; mutations in the catenin beta-1, adenomatous polyposis coli, or AXIN1, or AXIN2 genes were defined as Wnt/β-catenin mutations. With hierarchical cluster analyses, TME were classified into inflamed or non-inflamed classes based on the gene expressions associated with T-cell activation. Expression profiles of molecules related to cell differentiation and biliary-stem cell markers were compared between the TME classes to investigate whether differences in tumor traits were associated with TME. Results Forty of 152 (26.3%) HCCs carried the Wnt/β-catenin mutations. Of these, 33 were classified as non-inflamed (33/40, 82.5%) and 7 as inflamed (7/40, 17.5%). Non-inflamed class was characterized by low number of CD3+, CD4+, and CD8+ cells on immunostaining, and high mRNA expressions of AXIN2 and GLUL, which are involved in the canonical Wnt/β-catenin signaling and hepatocyte differentiation, respectively. Non-inflamed tumors showed higher enhancement on the hepatobiliary-phase of gadolinium-ethoxybenzyl-diethylenetriamine (Gd-EOB-DTPA)-enhanced magnetic resonance imaging (MRI) compared to inflamed tumors. HCCs classified as inflamed class are revealed to have high numbers of CD3+, CD4+, and CD8+ tumor infiltrating lymphocytes on immunostaining. This class is associated with increased expression of anti-epithelial cell adhesion molecule (EpCAM) and FOXM1 accompanied by upregulation of genes related to interferon-gamma signaling, dendritic cell migration, regulatory T cells and MDSC activation and recognized as low enhancement nodule on Gd-EOB-DTPA-enhanced MRI. Conclusion Heterogeneity of tumor traits and TME was observed in HCC with Wnt/β-catenin mutation. The potential was indicated that tumor traits and TME are determined not only by the activation of the HNF4A but also by FOXM1, both of which are downstream transcription factor of the Wnt/β-catenin signaling pathway.
DOI: 10.5281/zenodo.8085297
title: Benchmark Data Set for Two-Step Covalent Docking with Attracting Cavities

description: This repository contains relevant data from the study: M. Goullieux, V. Zoete, U.F. Roehrig<br> Two-Step Covalent Docking with Attracting Cavities <br>
description: This research was funded by the Swiss National Science Foundation (SNSF, grant No. 184993).
DOI: 10.5281/zenodo.8085298
title: Benchmark Data Set for Two-Step Covalent Docking with Attracting Cavities

description: This repository contains relevant data from the study: M. Goullieux, V. Zoete, U.F. Roehrig<br> Two-Step Covalent Docking with Attracting Cavities <br>
description: This research was funded by the Swiss National Science Foundation (SNSF, grant No. 184993).
DOI: 10.5281/zenodo.8407429
title: Benchmark Data Set for Two-Step Covalent Docking with Attracting Cavities

description: This repository contains relevant data from the study: M. Goullieux, V. Zoete, U.F. Roehrig<br> Two-Step Covalent Docking with Attracting Cavities <br>
description: This research was funded by the Swiss National Science Foundation (SNSF, grant No. 184993).
DOI: 10.5519/qd.eiuorzw9
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (140 records)
DOI: 10.6084/m9.figshare.24243391
title: Dataset of urea oxidation in the oligotrophic ocean.xlsx

description: A dataset on the rates of ammonia oxidation, urea oxidation and nitrite oxidation in the South China Sea and the North Pacific Subtropical Gyre.
DOI: 10.6084/m9.figshare.24243391.v1
title: Dataset of urea oxidation in the oligotrophic ocean.xlsx

description: A dataset on the rates of ammonia oxidation, urea oxidation and nitrite oxidation in the South China Sea and the North Pacific Subtropical Gyre.
DOI: 10.5519/qd.s4faq8j4
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (142 records)
DOI: 10.6073/pasta/2cb33bdbcf4b01d77d7606b47db2e224
title: Jornada Basin LTER: Wireless meteorological station at NPP G-IBPE site: 1-hour summary data: 2013 - ongoing

description: Hourly summary data at NPP G-IBPE met station. Average/maximum/minimum air temperature; average relative humidity and wind direction; average/maximum wind speed. These are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP G-IBPE site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.