cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2d8775
title: CCDC 2212446: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8786
title: CCDC 2212447: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8797
title: CCDC 2212448: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87b8
title: CCDC 2212449: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87c9
title: CCDC 2212450: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87db
title: CCDC 2212451: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87fc
title: CCDC 2212452: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87gd
title: CCDC 2212453: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87hf
title: CCDC 2212454: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87jg
title: CCDC 2212455: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87kh
title: CCDC 2212456: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87lj
title: CCDC 2212457: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87mk
title: CCDC 2212458: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87nl
title: CCDC 2212459: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87pm
title: CCDC 2212460: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87qn
title: CCDC 2212461: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87rp
title: CCDC 2212462: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87sq
title: CCDC 2212463: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87tr
title: CCDC 2212464: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87vs
title: CCDC 2212465: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87wt
title: CCDC 2212466: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87xv
title: CCDC 2212467: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d87yw
title: CCDC 2212468: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8dcg
title: CCDC 2212605: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8ddh
title: CCDC 2212606: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8dfj
title: CCDC 2212607: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8dgk
title: CCDC 2212608: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8dhl
title: CCDC 2212609: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2d8djm
title: CCDC 2212610: Experimental Crystal Structure Determination

description: Related Article: Navkiran Juneja, Daniel K. Unruh, Gary C. George III, Kristin M. Hutchins|2022|Cryst.Growth Des.|23|524|doi:10.1021/acs.cgd.2c01158
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.cc2dfby4
title: CCDC 2217366: Experimental Crystal Structure Determination

description: Related Article: Deepanshu Chauhan, Kuduva R. Vignesh, Abinash Swain, Stuart K. Langley, Keith S. Murray, Maheswaran Shanmugam, Gopalan Rajaraman|2022|Cryst.Growth Des.|23|197|doi:10.1021/acs.cgd.2c00888
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.21601857
title: Supplementary Material for: Cardiovascular risk factors in children and adolescents with type 1 diabetes mellitus: the role of insulin resistance and associated genetic variants

description: Introduction: Type 1 diabetes (T1D) is associated with increased risk of cardiovascular disease. Insulin resistance is an important cardiovascular risk factor (CVRF), also in subjects with T1D, but the influence of the genetic predisposition of insulin resistance on cardiovascular risk is still unknown in T1D. We aimed to determine whether a genetic score composed of six variants, previously associated to insulin resistance and type 2 diabetes (T2D) risk, associates with insulin sensitivity and known CVRFs in children and adolescents with T1D. Materials and Methods: 330 children and adolescents (174 males; mean age 15.7±3.5 years) with T1D were genotyped for the following genetic variants: rs1801278 (IRS1), rs1044498 (ENPP1), rs2295490 (TRIB3), rs1801282 (PPARG), rs780094 (GCKR), and rs35767 (IGF1). An additive genetic risk score (GRS) and cardiovascular risk score (CVRS) were calculated. Anthropometric, glycemic control, insulin sensitivity, blood pressure, and biochemical parameters were assessed. Multivariate regression between evaluated phenotypes and GRS were performed. Results: We found a significant association between the GRS and estimated insulin sensitivity [β=-0.027 (-0.040 to -0.013), R2=0.86, p=&lt;0.001], diastolic blood pressure [β=0.68 (0.08-1.27), R2=0.20, p=0.026], triglycerides [β=4.26 (1.74-6.77), R2=0.13, p=0.001], waist to height ratio [β=0.003 (0.001-0.006), R2=0.75, p=0.010], non-HDL-cholesterol [β=3.63 (1.39-5.87), R2=0.12, p=0.002], and CVRS [β=0.063 (0.008-0.118), R2=0.19, p=0.025], independent of age, sex, BMI, pubertal stage, diabetes duration, HbA1c, type of treatment and total insulin requirement. The addition of the GRS to established clinical risk factors significantly improved the discriminatory capability of the regression model for predicting subjects with more CVRFs (C-statistic 0.89 [95%CI 0.84–0.95] vs. 0.83 [0.73–0.93]; p = 0.037). Conclusions: Insulin resistance and T2D risk-associated genetic variants influence insulin sensitivity and known cardiovascular risk factors in children and adolescents with T1D.
DOI: 10.6084/m9.figshare.21814566.v1
title: Supplementary Material for: A Novel Case of Multicentric Reticulohistiocytosis Associated with Renal Cell Carcinoma Successfully Treated with Infliximab and Methotrexate

description: Multicentric reticulohistiocytosis (MRH) is categorized as a rare non-Langerhans cell histiocytosis most commonly seen in women in the fourth to fifth decade of life. This systemic inflammatory condition affects multiple organ systems and can result in severe joint destruction which can progress to arthritis mutilans. To date, various underlying malignancies have been discovered in patients with MRH including breast, gastric, thymic, hepatic, and melanoma. There has been 1 case of underlying renal cell carcinoma reported in a patient diagnosed with MRH. Additionally, there is no consistently recognized treatment for MRH described in the literature. The rarity of the disease contributes to the difficulty in defining a standardized treatment. We present the case of a patient with extensive joint and skin involvement who was successfully treated with infliximab and methotrexate, experienced clinical improvement, and was later diagnosed with clear cell renal cell carcinoma. The synergistic effects of infliximab and methotrexate, in combination with the low side-effect profile, appear to be promising in the setting of MRH and in our patient resulted in the resolution of symptoms and cutaneous manifestations. We suggest this regimen as an effective combination therapy. We emphasize thorough and continuous screening for underlying malignancy associated with MRH, despite clinical improvement or negative malignancy work-up upon initial diagnosis.