cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2c75mf
title: CCDC 2181644: Experimental Crystal Structure Determination

description: Related Article: Yue Qi, Zhixiao Yin, Xiangxiang Wen, Chao Wang, Lili Zong|2023|New J.Chem.|47|3249|doi:10.1039/D2NJ05273C
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.cc2c7gbf
title: CCDC 2181914: Experimental Crystal Structure Determination

description: Related Article: Hassan Farhid, Hanieh Mohammadi Araghi, Ahmad Shaabani, Behrouz Notash|2023|New J.Chem.|47|3234|doi:10.1039/D2NJ06207K
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.cc2ck2yz
title: CCDC 2191171: Experimental Crystal Structure Determination

description: Related Article: Jiantao Yuan, Guojun Zhou, Jian Zhang, Xian-Ming Zhang|2023|Mater. Chem. Front.|7|705|doi:10.1039/D2QM01049F
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.cc2ck2z0
title: CCDC 2191172: Experimental Crystal Structure Determination

description: Related Article: Jiantao Yuan, Guojun Zhou, Jian Zhang, Xian-Ming Zhang|2023|Mater. Chem. Front.|7|705|doi:10.1039/D2QM01049F
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.cc2ck302
title: CCDC 2191173: Experimental Crystal Structure Determination

description: Related Article: Jiantao Yuan, Guojun Zhou, Jian Zhang, Xian-Ming Zhang|2023|Mater. Chem. Front.|7|705|doi:10.1039/D2QM01049F
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.cc2d90qg
title: CCDC 2213205: Experimental Crystal Structure Determination

description: Related Article: Xinxin Liu, Xianyu Wang, Biao Guo, Sisi Zhao, Lijing Zhou, Lian Kong, Zhen Zhao|2023|New J.Chem.|47|3628|doi:10.1039/D2NJ05801D
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.21594231
title: Lead content of commercially available solvent-based paint in Pakistan.xlsx

description: We measured the Pb levels of solvent-based paints commercially available in Karachi, Pakistan. We visited major markets and collected commonly available brands of paint, sampling the yellow, red, and white colors of each. The paint samples’ Pb content was measured using inductively coupled argon plasma atomic emission spectrometry (ICP-AES). Of the 60 analyzed paint samples, 24 (40%) contained Pb levels of &gt;100 ppm (beyond the legal limit in Pakistan) with a maximum of 97,000 ppm (dry weight). Sixteen (76.2%) of the 21 yellow paints (range: 5,100–97,000 ppm, IQR: 36,900 ppm), seven (37.0%) of the 19 red paints (range: 220–1,800 ppm, IQR: 255 ppm), and one (5%) of the 20 white paints (870 ppm) contained Pb levels of &gt;100 ppm. Of the 60 paints, 45 were produced by domestic Pakistani companies (51% exceeding the limit) and 15 by multinational companies (7% exceeding the limit).
DOI: 10.6084/m9.figshare.21594231.v1
title: Lead content of commercially available solvent-based paint in Pakistan.xlsx

description: We measured the Pb levels of solvent-based paints commercially available in Karachi, Pakistan. We visited major markets and collected commonly available brands of paint, sampling the yellow, red, and white colors of each. The paint samples’ Pb content was measured using inductively coupled argon plasma atomic emission spectrometry (ICP-AES). Of the 60 analyzed paint samples, 24 (40%) contained Pb levels of &gt;100 ppm (beyond the legal limit in Pakistan) with a maximum of 97,000 ppm (dry weight). Sixteen (76.2%) of the 21 yellow paints (range: 5,100–97,000 ppm, IQR: 36,900 ppm), seven (37.0%) of the 19 red paints (range: 220–1,800 ppm, IQR: 255 ppm), and one (5%) of the 20 white paints (870 ppm) contained Pb levels of &gt;100 ppm. Of the 60 paints, 45 were produced by domestic Pakistani companies (51% exceeding the limit) and 15 by multinational companies (7% exceeding the limit).
DOI: 10.5517/ccdc.csd.cc2dfn1k
title: CCDC 2217648: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc2dfn2l
title: CCDC 2217649: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc2dfn3m
title: CCDC 2217650: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc2dfn4n
title: CCDC 2217651: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc2dfn5p
title: CCDC 2217652: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc2dfn6q
title: CCDC 2217653: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc2dfn7r
title: CCDC 2217654: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc2dfn8s
title: CCDC 2217655: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc28px52
title: CCDC 2106424: Experimental Crystal Structure Determination

description: Related Article: Yongshen Zheng, Puxin Cheng, Xiaodong Qian, Junjie Guan, Rongchao Shi, Mingyang Xin, Jialiang Xu, Xian-He Bu|2023|Mater. Chem. Front.|7|698|doi:10.1039/D2QM01173E
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.cc2dfn9t
title: CCDC 2217656: Experimental Crystal Structure Determination

description: Related Article: Olga A. Mironova, Aleksey A. Ryadun, Taisiya S. Sukhikh, Nikolay A. Pushkarevsky, Sergey N. Konchenko|2023|New J.Chem.|47|3406|doi:10.1039/D2NJ05540F
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.cc28px63
title: CCDC 2106425: Experimental Crystal Structure Determination

description: Related Article: Yongshen Zheng, Puxin Cheng, Xiaodong Qian, Junjie Guan, Rongchao Shi, Mingyang Xin, Jialiang Xu, Xian-He Bu|2023|Mater. Chem. Front.|7|698|doi:10.1039/D2QM01173E
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.cc28px74
title: CCDC 2106426: Experimental Crystal Structure Determination

description: Related Article: Yongshen Zheng, Puxin Cheng, Xiaodong Qian, Junjie Guan, Rongchao Shi, Mingyang Xin, Jialiang Xu, Xian-He Bu|2023|Mater. Chem. Front.|7|698|doi:10.1039/D2QM01173E
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.cc28px85
title: CCDC 2106427: Experimental Crystal Structure Determination

description: Related Article: Yongshen Zheng, Puxin Cheng, Xiaodong Qian, Junjie Guan, Rongchao Shi, Mingyang Xin, Jialiang Xu, Xian-He Bu|2023|Mater. Chem. Front.|7|698|doi:10.1039/D2QM01173E
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.cc28px96
title: CCDC 2106428: Experimental Crystal Structure Determination

description: Related Article: Yongshen Zheng, Puxin Cheng, Xiaodong Qian, Junjie Guan, Rongchao Shi, Mingyang Xin, Jialiang Xu, Xian-He Bu|2023|Mater. Chem. Front.|7|698|doi:10.1039/D2QM01173E
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.cc28pxb7
title: CCDC 2106429: Experimental Crystal Structure Determination

description: Related Article: Yongshen Zheng, Puxin Cheng, Xiaodong Qian, Junjie Guan, Rongchao Shi, Mingyang Xin, Jialiang Xu, Xian-He Bu|2023|Mater. Chem. Front.|7|698|doi:10.1039/D2QM01173E
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.cc28pxc8
title: CCDC 2106430: Experimental Crystal Structure Determination

description: Related Article: Yongshen Zheng, Puxin Cheng, Xiaodong Qian, Junjie Guan, Rongchao Shi, Mingyang Xin, Jialiang Xu, Xian-He Bu|2023|Mater. Chem. Front.|7|698|doi:10.1039/D2QM01173E
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.cc2d0l56
title: CCDC 2205097: Experimental Crystal Structure Determination

description: Related Article: Jisna Varghese, Udit Kumar, Shilpa Jose, Aamir Afzal Magray, S. Yeswanth Kumar, R. Padmanaban, Bala. Manimaran|2023|New J.Chem.|47|3582|doi:10.1039/D2NJ04784E
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.cc2chvxn
title: CCDC 2189992: Experimental Crystal Structure Determination

description: Related Article: Anushri Chandra, Papu Dhibar, Pragna Dutta, Piyali Paul, Samaresh Bhattacharya|2023|New J.Chem.|47|3492|doi:10.1039/D2NJ05295D
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.cc2chvyp
title: CCDC 2189993: Experimental Crystal Structure Determination

description: Related Article: Anushri Chandra, Papu Dhibar, Pragna Dutta, Piyali Paul, Samaresh Bhattacharya|2023|New J.Chem.|47|3492|doi:10.1039/D2NJ05295D
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.cc2chvzq
title: CCDC 2189994: Experimental Crystal Structure Determination

description: Related Article: Anushri Chandra, Papu Dhibar, Pragna Dutta, Piyali Paul, Samaresh Bhattacharya|2023|New J.Chem.|47|3492|doi:10.1039/D2NJ05295D
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.cc2chw0s
title: CCDC 2189995: Experimental Crystal Structure Determination

description: Related Article: Anushri Chandra, Papu Dhibar, Pragna Dutta, Piyali Paul, Samaresh Bhattacharya|2023|New J.Chem.|47|3492|doi:10.1039/D2NJ05295D
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.22086824
title: Mild heat stress induced adaptive immune response in blood mononuclear cells and leukocytes from mesenteric lymph nodes of primiparous lactating Holstein cows - Supplemental Material

description: Heat stress negatively affects the metabolism and physiology of the bovine gut. However, it is not known whether heat stress induces an inflammatory response in mesenteric lymph nodes (MLN), the primary origin of gut immune cells, thus contributes to inflammatory processes in the circulation. Therefore, our objective was to elucidate the effects of chronic heat stress on the systemic activation of acute-phase response in blood, pro-inflammatory cytokine production in peripheral blood mononuclear cells (PBMC) and the activation of the Toll-like receptor signaling (TLR) 2/4 pathway in MLN leucocytes and their chemokines and chemokine receptors profiles in Holstein cows. Primiparous Holstein cows (n = 30; 169 ± 48 DIM) were exposed to a temperature-humidity-index (THI) of 60 (16°C, 63% relative humidity (RH)) for 6 days. Thereafter, cows were evenly assigned to 3 groups: heat-stressed (HS; 28°C, 50% RH, THI = 76), control (CON; 16°C, 69% RH, THI = 60) or pair-feeding (PF; 16°C, 69% RH, THI = 60) group for 7 days. On day 6, PBMC were isolated and on day 7 MLN. Plasma haptoglobin, TNFα and IFNγ concentrations increased more in HS than CON cows. Concomitantly, <em>TNFA</em> mRNA abundance was higher in PBMC and MLN leucocytes of HS than PF cows, whilst <em>IFNG</em> mRNA abundance tended to be higher in MLN leucocytes of HS than PF cows, but not for chemokines (<em>CCL20</em>, <em>CCL25</em>) or chemokine receptors (<em>ITGB7</em>, <em>CCR6</em>, <em>CCR7</em>, <em>CCR9</em>). Furthermore, the TLR2 protein expression tended to be higher abundant in MLN leucocytes of HS than PF cows. These results suggest that heat stress induced an adaptive immune response in blood, PBMC and MLN leukocytes involving the acute-phase protein haptoglobin, pro-inflammatory cytokine production, and TLR2 signaling in MLN leucocytes. However, chemokines regulating the leucocyte trafficking between MLN and gut seem not to be involved in the adaptive immune response to heat stress.
DOI: 10.5066/p9fvhrce
title: Sediment descriptions, sediment core and pore water chemistry from the San Juan Generating Station reservoir, Waterflow, NM

description: As part of the Navajo-Gallup Water Supply Project, the Bureau of Reclamation was tasked with design and construction of infrastructure to treat and deliver potable water to the communities of Navajo Nation, parts of the Jicarilla Apache Nation, and City of Gallup. The Bureau of Reclamation has been evaluating the Public Service Company of New Mexico's (PNM) San Juan Generating Station (SJGS) reservoir as a possible water storage and sediment settling basin for the Navajo-Gallup Water Supply Project. The U.S. Geological Survey (USGS), in cooperation with the Bureau of Reclamation, was tasked with collecting reservoir sediment cores and pore water from SJGS reservoir. This data release contains reservoir sediment descriptions, sediment inorganic and organic chemistry, and pore water inorganic chemistry.
DOI: 10.5281/zenodo.6261165
title: Experiments on gravel-sand transitions

description: Primary data underlying and collected during flume experiments presented in two companion papers by Dingle & Venditti. Runs 1-8 are detailed in the first companion paper (test of wash load deposition) and Runs 9-16 are detailed in the second (grain size gap). Details of each flume run are presented on the first 8 tabs, as well as input and final gravel bed/bedload grain size distributions. Subsequent calculations using these data are also shown in the remaining tabs of each file. Descriptions of each run are included on the first page of each Excel file. Experiments were conducted in the River Dynamics Laboratory at Simon Fraser University between 2019-2021 by E. Dingle, and were supported through an NSERC Discovery grant & Accelerator Supplement awarded to J Venditti.