cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2d9vyj
title: CCDC 2214018: Experimental Crystal Structure Determination

description: Related Article: Kazuhisa Yamasumi, Kentaro Ueda, Yohei Haketa, Yusuke Hattori, Masayuki Suda, Shu Seki, Hayato Sakai, Taku Hasobe, Ryoya Ikemura, Yoshitane Imai, Yukihide Ishibashi, Tsuyoshi Asahi, Kazuto Nakamura, Hiromitsu Maeda|2023|Angew.Chem.,Int.Ed.|62|e202216013|doi:10.1002/anie.202216013
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.cc2d9vzk
title: CCDC 2214019: Experimental Crystal Structure Determination

description: Related Article: Kazuhisa Yamasumi, Kentaro Ueda, Yohei Haketa, Yusuke Hattori, Masayuki Suda, Shu Seki, Hayato Sakai, Taku Hasobe, Ryoya Ikemura, Yoshitane Imai, Yukihide Ishibashi, Tsuyoshi Asahi, Kazuto Nakamura, Hiromitsu Maeda|2023|Angew.Chem.,Int.Ed.|62|e202216013|doi:10.1002/anie.202216013
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.cc2d9w0m
title: CCDC 2214020: Experimental Crystal Structure Determination

description: Related Article: Kazuhisa Yamasumi, Kentaro Ueda, Yohei Haketa, Yusuke Hattori, Masayuki Suda, Shu Seki, Hayato Sakai, Taku Hasobe, Ryoya Ikemura, Yoshitane Imai, Yukihide Ishibashi, Tsuyoshi Asahi, Kazuto Nakamura, Hiromitsu Maeda|2023|Angew.Chem.,Int.Ed.|62|e202216013|doi:10.1002/anie.202216013
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.cc2d9w1n
title: CCDC 2214021: Experimental Crystal Structure Determination

description: Related Article: Kazuhisa Yamasumi, Kentaro Ueda, Yohei Haketa, Yusuke Hattori, Masayuki Suda, Shu Seki, Hayato Sakai, Taku Hasobe, Ryoya Ikemura, Yoshitane Imai, Yukihide Ishibashi, Tsuyoshi Asahi, Kazuto Nakamura, Hiromitsu Maeda|2023|Angew.Chem.,Int.Ed.|62|e202216013|doi:10.1002/anie.202216013
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.cc2d9w2p
title: CCDC 2214022: Experimental Crystal Structure Determination

description: Related Article: Kazuhisa Yamasumi, Kentaro Ueda, Yohei Haketa, Yusuke Hattori, Masayuki Suda, Shu Seki, Hayato Sakai, Taku Hasobe, Ryoya Ikemura, Yoshitane Imai, Yukihide Ishibashi, Tsuyoshi Asahi, Kazuto Nakamura, Hiromitsu Maeda|2023|Angew.Chem.,Int.Ed.|62|e202216013|doi:10.1002/anie.202216013
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.cc2d09vl
title: CCDC 2204839: Experimental Crystal Structure Determination

description: Related Article: Kevin Dollberg, Selina Schneider, Roman‐Malte Richter, Tobias Dunaj, Carsten von Hänisch|2022|Angew.Chem.,Int.Ed.|61|e202213098|doi:10.1002/anie.202213098
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.cc2d9wzl
title: CCDC 2214050: Experimental Crystal Structure Determination

description: Related Article: Aliona G. Baradzenka, Sergei F. Vyboishchikov, Melanie Pilkington, Anton Dmitrienko, Georgii I. Nikonov|2022|Chem.-Eur.J.|28|e202202799|doi:10.1002/chem.202202799
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.cc2d9x0n
title: CCDC 2214051: Experimental Crystal Structure Determination

description: Related Article: Aliona G. Baradzenka, Sergei F. Vyboishchikov, Melanie Pilkington, Anton Dmitrienko, Georgii I. Nikonov|2022|Chem.-Eur.J.|28|e202202799|doi:10.1002/chem.202202799
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.cc2d9x1p
title: CCDC 2214052: Experimental Crystal Structure Determination

description: Related Article: Aliona G. Baradzenka, Sergei F. Vyboishchikov, Melanie Pilkington, Anton Dmitrienko, Georgii I. Nikonov|2022|Chem.-Eur.J.|28|e202202799|doi:10.1002/chem.202202799
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.cc2d9x2q
title: CCDC 2214053: Experimental Crystal Structure Determination

description: Related Article: Aliona G. Baradzenka, Sergei F. Vyboishchikov, Melanie Pilkington, Anton Dmitrienko, Georgii I. Nikonov|2022|Chem.-Eur.J.|28|e202202799|doi:10.1002/chem.202202799
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.cc2db8bc
title: CCDC 2214402: Experimental Crystal Structure Determination

description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|2023|Angew.Chem.,Int.Ed.|62|e202217225|doi:10.1002/anie.202217225
description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|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.cc2db8df
title: CCDC 2214404: Experimental Crystal Structure Determination

description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|2023|Angew.Chem.,Int.Ed.|62|e202217225|doi:10.1002/anie.202217225
description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|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.cc2db8fg
title: CCDC 2214405: Experimental Crystal Structure Determination

description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|2023|Angew.Chem.,Int.Ed.|62|e202217225|doi:10.1002/anie.202217225
description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|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.cc2dbbbf
title: CCDC 2214464: Experimental Crystal Structure Determination

description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|2023|Angew.Chem.,Int.Ed.|62|e202217225|doi:10.1002/anie.202217225
description: Related Article: Yong Zuo, Xiaoning Liu, Enguang Fu, Shaodong Zhang|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.cc2dbc26
title: CCDC 2214487: Experimental Crystal Structure Determination

description: Related Article: Alejandra Pita-Milleiro, Macarena G. Alférez, Juan J. Moreno, María F. Espada, Celia Maya, Jesús Campos|2023|Inorg.Chem.|62|5961|doi:10.1021/acs.inorgchem.2c04381
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.cc2dbhx5
title: CCDC 2214637: Experimental Crystal Structure Determination

description: Related Article: Kazuhiro Uemura, Yuya Ikeda, Atsushi Takamori, Tomoyuki Takeyama, Satoshi Iwatsuki|2023|Chem.-Eur.J.|29|e202204057|doi:10.1002/chem.202204057
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.cc2dbhy6
title: CCDC 2214638: Experimental Crystal Structure Determination

description: Related Article: Kazuhiro Uemura, Yuya Ikeda, Atsushi Takamori, Tomoyuki Takeyama, Satoshi Iwatsuki|2023|Chem.-Eur.J.|29|e202204057|doi:10.1002/chem.202204057
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.cc2dbhz7
title: CCDC 2214639: Experimental Crystal Structure Determination

description: Related Article: Kazuhiro Uemura, Yuya Ikeda, Atsushi Takamori, Tomoyuki Takeyama, Satoshi Iwatsuki|2023|Chem.-Eur.J.|29|e202204057|doi:10.1002/chem.202204057
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.cc2dbj09
title: CCDC 2214640: Experimental Crystal Structure Determination

description: Related Article: Kazuhiro Uemura, Yuya Ikeda, Atsushi Takamori, Tomoyuki Takeyama, Satoshi Iwatsuki|2023|Chem.-Eur.J.|29|e202204057|doi:10.1002/chem.202204057
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.cc2dbj1b
title: CCDC 2214641: Experimental Crystal Structure Determination

description: Related Article: Kazuhiro Uemura, Yuya Ikeda, Atsushi Takamori, Tomoyuki Takeyama, Satoshi Iwatsuki|2023|Chem.-Eur.J.|29|e202204057|doi:10.1002/chem.202204057
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.cc2dbj2c
title: CCDC 2214642: Experimental Crystal Structure Determination

description: Related Article: Kazuhiro Uemura, Yuya Ikeda, Atsushi Takamori, Tomoyuki Takeyama, Satoshi Iwatsuki|2023|Chem.-Eur.J.|29|e202204057|doi:10.1002/chem.202204057
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.cc2dbm1f
title: CCDC 2214734: Experimental Crystal Structure Determination

description: Related Article: Yu-Lin Li, Ning Yu, Kui-Cheng He, Yu-Qiang Zhou, Wei-Hao Zheng, Kun Jiang, Ye Wei|2023|J.Org.Chem.|88|4863|doi:10.1021/acs.joc.3c00103
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.22683160
title: Data Base COVID proyect

description: COVID-19 has emerged as a devastating disease in the last 2 years. Many authors appointed to the importance of kallikrein-kinin system (KKS) in COVID-19 pathophysiology as it is involved in inflammation, vascular homeostasis, and coagulation. We aim to study the bradykinin cascade and its involvement in severity of patients with COVID-19. This is an observational cohort study involving 63 consecutive patients with severe COVID-19 pneumonia and 27 healthy subjects as control group. Clinical laboratory findings and plasma protein concentration of KKS peptides [bradykinin (BK), BK1-8], KKS proteins [high-molecular weight kininogen (HK)], and KKS enzymes [carboxypeptidase N subunit 1 (CPN1), kallikrein B1 (KLKB1), angiotensin converting enzyme 2 (ACE2), and C1 esterase inhibitor (C1INH)] were analyzed. We detected dysregulated KKS in patients with COVID-19, characterized by an accumulation of BK1-8 in combination with decreased levels of BK. Accumulated BK1-8 was related to severity of patients with COVID-19. A multivariate logistic regression model retained BK1-8, BK, and D-dimer as independent predictor factors to intensive care unit (ICU) admission. A Youden's optimal cutoff value of -0.352 was found for the multivariate model score with an accuracy of 92.9%. Multivariate model score-high group presented an odds ratio for ICU admission of 260.0. BK1-8 was related to inflammation, coagulation, and lymphopenia. Our data suggest that BK1-8/BK plasma concentration in combination with D-dimer levels might be retained as independent predictors for ICU admission in patients with COVID-19. Moreover, we reported KKS dysregulation in patients with COVID-19, which was related to disease severity by means of inflammation, hypercoagulation, and lymphopenia.
DOI: 10.6084/m9.figshare.22679482
title: ...

description: . 1111
DOI: 10.6084/m9.figshare.22679482.v2
title: ...

description: . 1111
DOI: 10.6084/m9.figshare.22679482.v1
title: NCOMMS-23-17224

description: 1、secondarydata_constellation_diagram.h5 ：Cx_RI (constellation point composition)，Dx (attribute number)，ONEHOTx (label) 2、train_secondarydata_712class_8400.h5 ：train_signal，modulation_order，AP_attribute_set，one_96，one_64 3、real_world_dataset.h5 ：QPSK_data，8PSK_data，16QAM_data，32QAM_data，64QAM_data，16APSK_data <br>
DOI: 10.6084/m9.figshare.22683178
title: DATABASE-PROYECT NLRP3 CP18/00028

description: <strong>Rationale:</strong> As the mechanism that links obstructive sleep apnea (OSA) with the regulation of inflammatory response is not well known, it is important to understand the inflammasome activation, mainly of NLRP3 (nucleotide-binding oligomerization domain-like receptor 3). <strong>Objectives:</strong> To assess the NLRP3 activity in patients with severe OSA and to identify its role in the systemic inflammatory response of patients with OSA. <strong>Methods:</strong> We analyzed the NLRP3 activity as well as key components of the inflammasome cascade, such as adaptor molecule apoptosis-associated speck-like protein, caspase-1, Gasdermin D, IL-1β, IL-18, and tissue factor, in monocytes and plasma from patients with severe OSA and control subjects without sleep apnea. We explored the association of the different key markers with inflammatory comorbidities. <strong>Measurements and Main Results:</strong> Monocytes from patients with severe OSA presented higher NLRP3 activity than those from control subjects, which directly correlated with the apnea-hypopnea index and hypoxemic indices. NLRP3 overactivity triggered inflammatory cytokines (IL-1β and IL-18) via caspase-1 and increased Gasdermin D, allowing for tissue factor to be released. <em>In vitro</em> models confirmed that monocytes increase NLRP3 signaling under intermittent hypoxia in a hypoxia-inducible factor-1α-dependent manner, and/or in combination with plasma from patients with OSA. Plasma concentrations of tissue factor were higher in patients with OSA with systemic inflammatory comorbidities than in those without them. <strong>Conclusions:</strong> In patients with severe OSA, NLRP3 activation might be a linking mechanism between intermittent hypoxia and other OSA-induced immediate changes with the development of systemic inflammatory response.
DOI: 10.5517/ccdc.csd.cc2dbm2g
title: CCDC 2214735: Experimental Crystal Structure Determination

description: Related Article: Yu-Lin Li, Ning Yu, Kui-Cheng He, Yu-Qiang Zhou, Wei-Hao Zheng, Kun Jiang, Ye Wei|2023|J.Org.Chem.|88|4863|doi:10.1021/acs.joc.3c00103
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.cc2dbr2l
title: CCDC 2214859: Experimental Crystal Structure Determination

description: Related Article: Shujing Hou, Fusheng Liu, Haomiao Xie, Sylvia L. Hanna, Karam B. Idrees, Chenghui Zhang, Xingjie Wang, Yongwei Chen, Peng Li, Omar K. Farha|2023|Inorg.Chem.|62|5479|doi:10.1021/acs.inorgchem.2c04447
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.cc2dbv1n
title: CCDC 2214951: Experimental Crystal Structure Determination

description: Related Article: Shujing Hou, Fusheng Liu, Haomiao Xie, Sylvia L. Hanna, Karam B. Idrees, Chenghui Zhang, Xingjie Wang, Yongwei Chen, Peng Li, Omar K. Farha|2023|Inorg.Chem.|62|5479|doi:10.1021/acs.inorgchem.2c04447
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.cc2dbr3m
title: CCDC 2214860: Experimental Crystal Structure Determination

description: Related Article: Shujing Hou, Fusheng Liu, Haomiao Xie, Sylvia L. Hanna, Karam B. Idrees, Chenghui Zhang, Xingjie Wang, Yongwei Chen, Peng Li, Omar K. Farha|2023|Inorg.Chem.|62|5479|doi:10.1021/acs.inorgchem.2c04447
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.cc2dbr4n
title: CCDC 2214861: Experimental Crystal Structure Determination

description: Related Article: Shujing Hou, Fusheng Liu, Haomiao Xie, Sylvia L. Hanna, Karam B. Idrees, Chenghui Zhang, Xingjie Wang, Yongwei Chen, Peng Li, Omar K. Farha|2023|Inorg.Chem.|62|5479|doi:10.1021/acs.inorgchem.2c04447
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.cc2dbr5p
title: CCDC 2214862: Experimental Crystal Structure Determination

description: Related Article: Nagarajan Ramkumar, Larisa Baumane, Dzintars Zacs, Janis Veliks|2023|Angew.Chem.,Int.Ed.|62|e202219027|doi:10.1002/anie.202219027
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.