cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc14jfwz
title: CCDC 1058491: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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.30424894
title: Supplementary Material for: Genetic characterization of 128 Chinese individuals with neurodevelopmental disorders via whole-exome sequencing

description: Introduction: Neurodevelopmental disorders (NDDs) are chronic conditions marked by abnormal brain development, presenting with significant clinical heterogeneity. Early diagnosis is crucial but challenging due to the complex symptoms. Genetic factors play a dominant role in NDDs etiology. This study was to evaluate the diagnostic utility of dual-dimension whole-exome sequencing (WES) analysis in Chinese patients with NDDs and to deepen the understanding of genotype-phenotype correlations.
Methods: This study retrospectively analyzed WES data of 128 Chinese NDDs patients from Hubei Maternal and Child Health Hospital (July 2020 - March 2024) for single nucleotide variants/small insertions-deletions (SNVs/Indels) and copy number variants (CNVs). Pathway enrichment, tissue-expression analyses, and functional experiments were conducted to interpret pathogenic genes and variants of uncertain significance (VUS).
Results: The overall diagnostic rate for NDDs was 35.9% (46/128), with 28 cases confirmed by SNV/Indel analysis (30 variants in 29 genes) and 18 by CNV analysis (22 variants). Dual-dimension analysis markdly improved the diagnostic rate compared to conventional SNV/Indel analysis (35.9% vs 21.9%). Patients with multi-system abnormalities had a higher diagnostic rate (63.2% vs 31.2%). Among the 30 SNV/Indel variants, 86.7% (26) were de novo, and 70.0% (21) were novel. Recurrent pathogenic variants in ASXL3, SHANK3 and EHMT1 genes were identified. Most pathogenic genes were enriched in transcription-regulation pathways and highly expressed in the cerebellum and cerebral cortex. Functional experiments showed that the NLGN3 c.562G&gt;A (p.G188R) hemizygous variant affects protein stability and is deleterious, aiding prenatal diagnosis and the birth of a healthy offspring.
Conclusion: Integrating CNV analysis into routine WES workflows effectively clarifies the genetic heterogeneity of NDDs, expands the gene variant spectrum, and provides a basis for NDDs prognosis assessment and precision diagnosis and treatment.
DOI: 10.6084/m9.figshare.30424894.v1
title: Supplementary Material for: Genetic characterization of 128 Chinese individuals with neurodevelopmental disorders via whole-exome sequencing

description: Introduction: Neurodevelopmental disorders (NDDs) are chronic conditions marked by abnormal brain development, presenting with significant clinical heterogeneity. Early diagnosis is crucial but challenging due to the complex symptoms. Genetic factors play a dominant role in NDDs etiology. This study was to evaluate the diagnostic utility of dual-dimension whole-exome sequencing (WES) analysis in Chinese patients with NDDs and to deepen the understanding of genotype-phenotype correlations.
Methods: This study retrospectively analyzed WES data of 128 Chinese NDDs patients from Hubei Maternal and Child Health Hospital (July 2020 - March 2024) for single nucleotide variants/small insertions-deletions (SNVs/Indels) and copy number variants (CNVs). Pathway enrichment, tissue-expression analyses, and functional experiments were conducted to interpret pathogenic genes and variants of uncertain significance (VUS).
Results: The overall diagnostic rate for NDDs was 35.9% (46/128), with 28 cases confirmed by SNV/Indel analysis (30 variants in 29 genes) and 18 by CNV analysis (22 variants). Dual-dimension analysis markdly improved the diagnostic rate compared to conventional SNV/Indel analysis (35.9% vs 21.9%). Patients with multi-system abnormalities had a higher diagnostic rate (63.2% vs 31.2%). Among the 30 SNV/Indel variants, 86.7% (26) were de novo, and 70.0% (21) were novel. Recurrent pathogenic variants in ASXL3, SHANK3 and EHMT1 genes were identified. Most pathogenic genes were enriched in transcription-regulation pathways and highly expressed in the cerebellum and cerebral cortex. Functional experiments showed that the NLGN3 c.562G&gt;A (p.G188R) hemizygous variant affects protein stability and is deleterious, aiding prenatal diagnosis and the birth of a healthy offspring.
Conclusion: Integrating CNV analysis into routine WES workflows effectively clarifies the genetic heterogeneity of NDDs, expands the gene variant spectrum, and provides a basis for NDDs prognosis assessment and precision diagnosis and treatment.
DOI: 10.5517/cc14jfx0
title: CCDC 1058492: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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/cc14jfy1
title: CCDC 1058493: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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/cc14jfz2
title: CCDC 1058494: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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/cc14jg04
title: CCDC 1058495: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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/cc14jg15
title: CCDC 1058496: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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.30424900
title: Supplementary Material for: Intended vs Actual Access to Care: Impact of Healthcare Consolidation on Maternal and Neonatal Outcomes

description: Objective: The Affordable Care Act was intended principally to increase healthcare insurance coverage to uninsured Americans. Ostensibly, 40 million people obtained coverage. However, American maternal mortality has significantly worsened. The overall health curve in conservative leaning states is shifted downward in comparison to liberal ones including COVID mortality, maternal mortality, neonatal mortality, life expectancy, heart disease, pulmonary, and diabetic deaths, obesity, smoking, suicides, and alcohol related auto deaths. Here, we focus on insurance coverage issues related to those outcomes and market alterations produced by ACA legislation and regulatory actions that may or may not have had unintended consequences. 
Methods: Using authoritative national public databases, we analyzed 18 health status metrics in the context of MCO market consolidation and ACO penetration fueled by the Medicaid expansion. We ranked states from best statistics to worst incorporating 10 measures of health access including: hospital beds, patients without examination for over a year, and incidence of maternity care deserts.
Results: There is considerable variation in the US for both health care status and access. Our data show these are highly correlated (r² = .47, p&lt;.01). States with the best outcomes have the best access. States with highest health care metrics and health care access were all traditional liberal "blue states" with greater infrastructure and insurance coverage.
Conclusions: Hospital and clinic realignments created under the ACA appear to have worsened the health care of women and children in the US, particularly for patients of color. Health care status and access to services are highly correlated. States allocating more resources for health care have better outcomes. Monopoly exemptions under ACA are temporally and statistically correlated with worsening of maternal outcomes across all geographic regions where control and consolidation was permitted or encouraged. Maternity care deserts have significantly disadvantaged women of color and working-class families in rural and urban zones. Further exacerbating the problem is the reduction of physician independence both within and outside of hospital systems.
DOI: 10.6084/m9.figshare.30424900.v1
title: Supplementary Material for: Intended vs Actual Access to Care: Impact of Healthcare Consolidation on Maternal and Neonatal Outcomes

description: Objective: The Affordable Care Act was intended principally to increase healthcare insurance coverage to uninsured Americans. Ostensibly, 40 million people obtained coverage. However, American maternal mortality has significantly worsened. The overall health curve in conservative leaning states is shifted downward in comparison to liberal ones including COVID mortality, maternal mortality, neonatal mortality, life expectancy, heart disease, pulmonary, and diabetic deaths, obesity, smoking, suicides, and alcohol related auto deaths. Here, we focus on insurance coverage issues related to those outcomes and market alterations produced by ACA legislation and regulatory actions that may or may not have had unintended consequences. 
Methods: Using authoritative national public databases, we analyzed 18 health status metrics in the context of MCO market consolidation and ACO penetration fueled by the Medicaid expansion. We ranked states from best statistics to worst incorporating 10 measures of health access including: hospital beds, patients without examination for over a year, and incidence of maternity care deserts.
Results: There is considerable variation in the US for both health care status and access. Our data show these are highly correlated (r² = .47, p&lt;.01). States with the best outcomes have the best access. States with highest health care metrics and health care access were all traditional liberal "blue states" with greater infrastructure and insurance coverage.
Conclusions: Hospital and clinic realignments created under the ACA appear to have worsened the health care of women and children in the US, particularly for patients of color. Health care status and access to services are highly correlated. States allocating more resources for health care have better outcomes. Monopoly exemptions under ACA are temporally and statistically correlated with worsening of maternal outcomes across all geographic regions where control and consolidation was permitted or encouraged. Maternity care deserts have significantly disadvantaged women of color and working-class families in rural and urban zones. Further exacerbating the problem is the reduction of physician independence both within and outside of hospital systems.
DOI: 10.5517/cc14jg26
title: CCDC 1058497: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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/cc14jg37
title: CCDC 1058498: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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/cc14jg48
title: CCDC 1058499: Experimental Crystal Structure Determination

description: Related Article: Teh-Chang Chou,  Jing-Kai Huang,  Sushilkumar S. Bahekar,  Ju-Hsiou Liao|2014|Tetrahedron|70|8361|doi:10.1016/j.tet.2014.08.071
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.cc14jghm
title: CCDC 1058510: Experimental Crystal Structure Determination

description: Related Article: Ahmad Raheel, Imtiaz-ud-Din, Sohaila Andleeb, Simko Ramadan, Muhammad Nawaz Tahir|2017|Appl.Organomet.Chem.|31|e3632|doi:10.1002/aoc.3632
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.cc14jgkp
title: CCDC 1058512: Experimental Crystal Structure Determination

description: Related Article: Selçuk Demir, H. Merve Çepni, Małgorzata Hołyńska, Muammer Kavanoz|2016|Z.Naturforsch.,B:Chem.Sci.|71|305|doi:10.1515/znb-2015-0197
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/cc14jgmr
title: CCDC 1058514: Experimental Crystal Structure Determination

description: Related Article: Gourav M. Upadhyay, Ashutosh V. Bedekar|2015|Tetrahedron|71|5644|doi:10.1016/j.tet.2015.06.040
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/cc14jgpt
title: CCDC 1058516: Experimental Crystal Structure Determination

description: Related Article: David W. Brogden, John F. Berry|2015|Chem.Commun.|51|9153|doi:10.1039/C5CC02917A
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/cc13gnpx
title: CCDC 1026989: Experimental Crystal Structure Determination

description: Related Article: Marlene Kaposi, Mirza Cokoja, Christine H. Hutterer, Simone A. Hauser, Tobias Kaposi, Florian Klappenberger, Alexander Pöthig, Johannes V. Barth, Wolfgang A. Herrmann, Fritz E. Kühn|2015|Dalton Trans.|44|15976|doi:10.1039/C5DT01340B
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/cc14jgns
title: CCDC 1058515: Experimental Crystal Structure Determination

description: Related Article: Zhan-Yun Zhang,  Peng-Fei Shi,  Huan-Cheng Hu,  Zhi-Lei Wu,  Jian-Zhong Cui,  Bin Zhao|2015|Inorg.Chem.Commun.|54|76|doi:10.1016/j.inoche.2015.01.020
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/cc13gnqy
title: CCDC 1026990: Experimental Crystal Structure Determination

description: Related Article: Marlene Kaposi, Mirza Cokoja, Christine H. Hutterer, Simone A. Hauser, Tobias Kaposi, Florian Klappenberger, Alexander Pöthig, Johannes V. Barth, Wolfgang A. Herrmann, Fritz E. Kühn|2015|Dalton Trans.|44|15976|doi:10.1039/C5DT01340B
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/cc14jgsx
title: CCDC 1058519: Experimental Crystal Structure Determination

description: Related Article: Alexandre Abhervé, Mario Palacios-Corella, Juan Modesto Clemente-Juan, Raphael Marx, Petr Neugebauer, Joris van Slageren, Miguel Clemente-León, Eugenio Coronado|2015|J.Mater.Chem.C|3|7936|doi:10.1039/C5TC01089F
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/cc14jgty
title: CCDC 1058520: Experimental Crystal Structure Determination

description: Related Article: Alexandre Abhervé, Mario Palacios-Corella, Juan Modesto Clemente-Juan, Raphael Marx, Petr Neugebauer, Joris van Slageren, Miguel Clemente-León, Eugenio Coronado|2015|J.Mater.Chem.C|3|7936|doi:10.1039/C5TC01089F
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/cc14jhgm
title: CCDC 1058540: Experimental Crystal Structure Determination

description: Related Article: Lun Zhao, Huadong Guo, Dong Tang, Min Zhang|2015|CrystEngComm|17|5451|doi:10.1039/C5CE00710K
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/cc14jhjp
title: CCDC 1058542: Experimental Crystal Structure Determination

description: Related Article: Lun Zhao, Huadong Guo, Dong Tang, Min Zhang|2015|CrystEngComm|17|5451|doi:10.1039/C5CE00710K
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/cc14jhkq
title: CCDC 1058543: Experimental Crystal Structure Determination

description: Related Article: Lun Zhao, Huadong Guo, Dong Tang, Min Zhang|2015|CrystEngComm|17|5451|doi:10.1039/C5CE00710K
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/cc14jhlr
title: CCDC 1058544: Experimental Crystal Structure Determination

description: Related Article: Yeon Ji Seo, Jin-ah Kim, and Hyeon-Kyu Lee|2015|J.Org.Chem.|80|8887|doi:10.1021/acs.joc.5b01434
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/cc14jhms
title: CCDC 1058545: Experimental Crystal Structure Determination

description: Related Article: Lun Zhao, Huadong Guo, Dong Tang, Min Zhang|2015|CrystEngComm|17|5451|doi:10.1039/C5CE00710K
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.