cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc22g5lb
title: CCDC 1920251: Experimental Crystal Structure Determination

description: Related Article: Shu Y. Shi,  Dan Bai,  Hong X. Du,  Wei Jiang,  Jun Zhang,  Xiao B. Cui|2020|J.Cluster Sci.|31|1221|doi:10.1007/s10876-019-01729-y
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.cc22g5mc
title: CCDC 1920252: Experimental Crystal Structure Determination

description: Related Article: Shu Y. Shi,  Dan Bai,  Hong X. Du,  Wei Jiang,  Jun Zhang,  Xiao B. Cui|2020|J.Cluster Sci.|31|1221|doi:10.1007/s10876-019-01729-y
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.cc236mfd
title: CCDC 1942783: Experimental Crystal Structure Determination

description: Related Article: Xingxin Tu,  Hongjuan Chen,  Shaowei Zhang,  Pengtao Ma|2020|J.Cluster Sci.|31|1199|doi:10.1007/s10876-019-01726-1
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.cc236mgf
title: CCDC 1942784: Experimental Crystal Structure Determination

description: Related Article: Xingxin Tu,  Hongjuan Chen,  Shaowei Zhang,  Pengtao Ma|2020|J.Cluster Sci.|31|1199|doi:10.1007/s10876-019-01726-1
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.cc23r68c
title: CCDC 1958712: Experimental Crystal Structure Determination

description: Related Article: Yuefeng Zhang,  Chaowei Zhao,  Shengyong You,  Jiyong Zou,  Nanfu Yan,  Shaowei Zhang,  Weiwei Li|2020|J.Cluster Sci.|31|1207|doi:10.1007/s10876-019-01727-0
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.cc23r86c
title: CCDC 1958772: Experimental Crystal Structure Determination

description: Related Article: Ming-Ming Sheng,  Guo-Qiang Li,  Guang Che,  Ai-Quan Jia,  Qian-Feng Zhang|2020|J.Cluster Sci.|31|1307|doi:10.1007/s10876-019-01740-3
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.cc23r87d
title: CCDC 1958773: Experimental Crystal Structure Determination

description: Related Article: Ming-Ming Sheng,  Guo-Qiang Li,  Guang Che,  Ai-Quan Jia,  Qian-Feng Zhang|2020|J.Cluster Sci.|31|1307|doi:10.1007/s10876-019-01740-3
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.cc23r88f
title: CCDC 1958774: Experimental Crystal Structure Determination

description: Related Article: Ming-Ming Sheng,  Guo-Qiang Li,  Guang Che,  Ai-Quan Jia,  Qian-Feng Zhang|2020|J.Cluster Sci.|31|1307|doi:10.1007/s10876-019-01740-3
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.cc23r89g
title: CCDC 1958775: Experimental Crystal Structure Determination

description: Related Article: Ming-Ming Sheng,  Guo-Qiang Li,  Guang Che,  Ai-Quan Jia,  Qian-Feng Zhang|2020|J.Cluster Sci.|31|1307|doi:10.1007/s10876-019-01740-3
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.cc2625yf
title: CCDC 2027894: Experimental Crystal Structure Determination

description: Related Article: Felipe Dornelles da Silva, Artur Luís Hennemann, Robert Alan Burrow, Ernesto Schulz Lang, Ulrich Abram, Sailer Santos dos Santos|2022|J.Cluster Sci.|33|815|doi:10.1007/s10876-021-02128-y
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.cc2625zg
title: CCDC 2027895: Experimental Crystal Structure Determination

description: Related Article: Felipe Dornelles da Silva, Artur Luís Hennemann, Robert Alan Burrow, Ernesto Schulz Lang, Ulrich Abram, Sailer Santos dos Santos|2022|J.Cluster Sci.|33|815|doi:10.1007/s10876-021-02128-y
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.cc26260j
title: CCDC 2027896: Experimental Crystal Structure Determination

description: Related Article: Felipe Dornelles da Silva, Artur Luís Hennemann, Robert Alan Burrow, Ernesto Schulz Lang, Ulrich Abram, Sailer Santos dos Santos|2022|J.Cluster Sci.|33|815|doi:10.1007/s10876-021-02128-y
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.cc26261k
title: CCDC 2027897: Experimental Crystal Structure Determination

description: Related Article: Felipe Dornelles da Silva, Artur Luís Hennemann, Robert Alan Burrow, Ernesto Schulz Lang, Ulrich Abram, Sailer Santos dos Santos|2022|J.Cluster Sci.|33|815|doi:10.1007/s10876-021-02128-y
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.cc26262l
title: CCDC 2027898: Experimental Crystal Structure Determination

description: Related Article: Felipe Dornelles da Silva, Artur Luís Hennemann, Robert Alan Burrow, Ernesto Schulz Lang, Ulrich Abram, Sailer Santos dos Santos|2022|J.Cluster Sci.|33|815|doi:10.1007/s10876-021-02128-y
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.cc26263m
title: CCDC 2027899: Experimental Crystal Structure Determination

description: Related Article: Felipe Dornelles da Silva, Artur Luís Hennemann, Robert Alan Burrow, Ernesto Schulz Lang, Ulrich Abram, Sailer Santos dos Santos|2022|J.Cluster Sci.|33|815|doi:10.1007/s10876-021-02128-y
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.cc26htk3
title: CCDC 2040995: Experimental Crystal Structure Determination

description: Related Article: Md. Mahfujar Rohman, Md Imran Hossain, Nikhil C. Bhoumik, Shafikul Islam, Md. Manzurul Karim
|2022|J.Chem.Cryst.|52|223|doi:10.1007/s10870-021-00910-4
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.ccpr89z
title: CCDC 647971: Experimental Crystal Structure Determination

description: Related Article: Svitlana V. Shishkina, Viktoriya V. Dyakonenko, Oleg V. Shishkin, Volodimir P. Semynozhenko, Tatiana Yu. Bogashchenko, Alexander Yu. Lyapunov, Tatiana I. Kirichenko|2022|Struct.Chem.|33|257|doi:10.1007/s11224-021-01839-2
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.cc28fdbg
title: CCDC 2098245: Experimental Crystal Structure Determination

description: Related Article: Svitlana V. Shishkina, Viktoriya V. Dyakonenko, Oleg V. Shishkin, Volodimir P. Semynozhenko, Tatiana Yu. Bogashchenko, Alexander Yu. Lyapunov, Tatiana I. Kirichenko|2022|Struct.Chem.|33|257|doi:10.1007/s11224-021-01839-2
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.cc28ffnt
title: CCDC 2098286: Experimental Crystal Structure Determination

description: Related Article: Nayeli G. Lopez, Carly C. Carter, Sergio Rocha, Christina J. Thomas, Kevin Falcon, Joanna Robledo, Thomas R. Cundari, Muhammed Yousufuddin|2022|J.Chem.Cryst.|52|434|doi:10.1007/s10870-021-00908-y
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.cc27mx71
title: CCDC 2074713: Experimental Crystal Structure Determination

description: Related Article: Md. Mahfujar Rohman, Md Imran Hossain, Nikhil C. Bhoumik, Shafikul Islam, Md. Manzurul Karim
|2022|J.Chem.Cryst.|52|223|doi:10.1007/s10870-021-00910-4
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: 10.18112/openneuro.ds004346.v1.0.3
title: FLUX: A pipeline for MEG analysis
DOI: 10.6084/m9.figshare.21967700
title: An inflammation-associated ferroptosis signature can optimize the diagnosis, prognosis evaluation and immunotherapy options in hepatocellular carcinoma

description: Background: Inflammation and ferroptosis crosstalk complexly with immune microenvironment of hepatocellular carcinoma (HCC), thus affecting the efficacy of immunotherapy. Herein, our aim was to identify the inflammation associated ferroptosis (IAF)- biomarkers for contributing the immunotherapy of HCC. Methods: The train cohort from The Cancer Genome Atlas (TCGA) was clustered into three subtypes (C1, C2, and C3) based on the genes related to inflammation and ferroptosis. Intersecting differentially expressed genes (DEGs) among the subtypes were set as IAF-genes and enrolled into construction of a risk model following by LASSO, univariate Cox and multivariate COX regression analysis. The effectiveness of risk model on prognosis evaluation, immunological signature recognition and immunotherapy options was analyzed by ESTIMATE, CIBERSORT, and TIDE algorithm. The practicability of risk model in HCC tissues (N = 40) from our research group were detected by performing qRT-PCR, immunohistochemical (IHC) analysis and reviewing of clinical characters. Results: A total of 224 intersecting DEGs identified from different inflammation- and ferroptosis-subtypes were set as IAF-genes. Seven of them including ADH4, APOA5, CFHR3, CXCL8, FTCD, G6PD and PON1 were used for construction of a risk model which classified HCC patients into two groups (high and low risk). HCC patients in high risk group exhibited shorter survival rate and higher immune score, and were predicted to have higher respond rate in immune checkpoint inhibition (ICI) therapy. qRT-PCR results demonstrated that levels of the seven genes were significantly changed in HCC tissues in comparison to adjacent tissues. After inserting the gene expression into the risk model, we found that the risk model exhibited the higher diagnostic value for distinguish HCC tissues compared each single gene. Furthermore, through performing reviewing clinical characters and IHC analysis, we found HCC tissues from our research group with high risk score exhibited more cases of microsatellite instability (MSI), heavier tumor mutational burden (TMB), higher expression level of PDL1 and cells with CD8. Conclusions: The signature constructed by seven IAF-genes including ADH4, APOA5, CFHR3, CXCL8, FTCD, G6PD and PON1 can act as a biomarker for optimizing the diagnosis, prognosis evaluation and immunotherapy options in HCC patients. <br>
DOI: 10.6084/m9.figshare.21967700.v1
title: An inflammation-associated ferroptosis signature can optimize the diagnosis, prognosis evaluation and immunotherapy options in hepatocellular carcinoma

description: Background: Inflammation and ferroptosis crosstalk complexly with immune microenvironment of hepatocellular carcinoma (HCC), thus affecting the efficacy of immunotherapy. Herein, our aim was to identify the inflammation associated ferroptosis (IAF)- biomarkers for contributing the immunotherapy of HCC. Methods: The train cohort from The Cancer Genome Atlas (TCGA) was clustered into three subtypes (C1, C2, and C3) based on the genes related to inflammation and ferroptosis. Intersecting differentially expressed genes (DEGs) among the subtypes were set as IAF-genes and enrolled into construction of a risk model following by LASSO, univariate Cox and multivariate COX regression analysis. The effectiveness of risk model on prognosis evaluation, immunological signature recognition and immunotherapy options was analyzed by ESTIMATE, CIBERSORT, and TIDE algorithm. The practicability of risk model in HCC tissues (N = 40) from our research group were detected by performing qRT-PCR, immunohistochemical (IHC) analysis and reviewing of clinical characters. Results: A total of 224 intersecting DEGs identified from different inflammation- and ferroptosis-subtypes were set as IAF-genes. Seven of them including ADH4, APOA5, CFHR3, CXCL8, FTCD, G6PD and PON1 were used for construction of a risk model which classified HCC patients into two groups (high and low risk). HCC patients in high risk group exhibited shorter survival rate and higher immune score, and were predicted to have higher respond rate in immune checkpoint inhibition (ICI) therapy. qRT-PCR results demonstrated that levels of the seven genes were significantly changed in HCC tissues in comparison to adjacent tissues. After inserting the gene expression into the risk model, we found that the risk model exhibited the higher diagnostic value for distinguish HCC tissues compared each single gene. Furthermore, through performing reviewing clinical characters and IHC analysis, we found HCC tissues from our research group with high risk score exhibited more cases of microsatellite instability (MSI), heavier tumor mutational burden (TMB), higher expression level of PDL1 and cells with CD8. Conclusions: The signature constructed by seven IAF-genes including ADH4, APOA5, CFHR3, CXCL8, FTCD, G6PD and PON1 can act as a biomarker for optimizing the diagnosis, prognosis evaluation and immunotherapy options in HCC patients. <br>
DOI: 10.17864/1947.000442
title: Data used in the article ‘Effect of fat replacement with HPMC and lecithin stabilised nanoemulsion on the physical characteristics and sensory attributes of short dough biscuits’

description: This dataset contains data obtained from experimental work on the application of a complex nanoemulsion (CNE) made of extra virgin olive oil and stabilised with hydroxypropyl methylcellulose (HPMC) and lecithin on short-dough biscuits. Four dough and biscuit formulations were evaluated including a control (butter), three formulations where 33% of the butter was replaced with extra virgin olive oil (EVOO), with CNE, and with the individual ingredient of the nanoemulsion added separately (INE). Data was obtained using a texture analyser (dough hardness, biscuit fracture strength and the fracturability, and oil migration), moisture balance (biscuit moisture), water activity meter (biscuit water activity), oven (weight loss during baking), digital calliper (biscuit dimensions), Confocal Laser Scanning Microscopy and Scanning Electron Microscopy (dough and biscuit microstructure), and quantitative descriptive sensory analysis with a trained sensory panel (sensory profiling of the biscuits).
DOI: 10.6073/pasta/56402d767cfa871e66eae98d7c677303
title: Yearly survey of barnacle settlement near creekbank plots at GCE LTER study sites in October 2013

description: To characterize spatial variation in barnacle recruitment at the creekbank, and across a gradient in salinity and distance to ocean, we deployed PVC poles to passive sample barnacle settlement. Eight poles were deployed between 4-5m apart adjacent to the creekbank vegetation monitoring plots at each GCE LTER permanent monitoring site each Fall beginning in 2012. These poles were then collected the following Fall and all barnacle that settled on the poles were identified and counted on 50cm-long sections of the 8, 3/4" diameter PVC poles. Although a few other barnacle species are occur within this estuary, only Chlathamus fragilis settled on the poles.
DOI: 10.6084/m9.figshare.21792344.v1
title: STRUCTURE clustering files

description: Clustering data for 1000Genomes in STRUCTURE,
DOI: 10.5281/zenodo.7192883
title: Experimental Electrical Impedance Tomography Data Set Using the Spectra Bioimpedance and EIT Complete Kit

description: <strong>Abstract</strong> The amount of open-source EIT measurement data is low. This data set concerns the acquisition and processing of different measurement data using the SpectraEIT-Kit as well as information about the deposited files. <strong>Aknoelegenment</strong><br> Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – SFB 1270/2 - 299150580.
DOI: 10.5281/zenodo.7192882
title: Experimental Electrical Impedance Tomography Data Set Using the Spectra Bioimpedance and EIT Complete Kit

description: <strong>Abstract</strong> The amount of open-source EIT measurement data is low. This data set concerns the acquisition and processing of different measurement data using the SpectraEIT-Kit as well as information about the deposited files. <strong>Aknoelegenment</strong><br> Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – SFB 1270/2 - 299150580.
DOI: 10.5281/zenodo.5816706
title: VEP_workflow_simulatedData

description: This dataset is used for the paper: Wang, H. E., Woodman, M., Triebkorn, P., Lemarechal, J.-D., Jha, J., Dollomaja, B., Vattikonda, A. N., Sip, V., Medina Villalon, S., Hashemi, M., Guye, M., Makhalova, J., Bartolomei, F., & Jirsa, V. (2023). Delineating epileptogenic networks using brain imaging data and personalized modeling in drug-resistant epilepsy. <em>Science Translational Medicine</em>, <em>15</em>(680). https://doi.org/10.1126/scitranslmed.abp8982 Code to read and process this dataset: https://zenodo.org/record/7573382#.Y9PN9C8w3RI It includes both anatomical and simulated data for one example patient. The anatomical data includes the personalized brain surface meshes, gain matrix from SEEG electrodes and source brain regions, and global structural connectivity matrices. The functional data includes the neural field simulation on both vertices and SEEG sensors. The datasets are used in BIDS format. The codes to read and use this dataset are available in https://github.com/HuifangWang/VEP_INS_workflow.
description: This work is funded through the European Union's Horizon 2020 Framework Programme for Research and Innovation under the Specific Grant Agreement No. 945539 (Human Brain Project SGA3) and the French National Research Agency (ANR) as part of the second "Investissements d'Avenir" program (ANR-17-RHUS-0004, EPINOV).
description: {"references": ["Wang, H. E., Woodman, M., Triebkorn, P., Lemarechal, J.-D., Jha, J., Dollomaja, B., Vattikonda, A. N., Sip, V., Medina Villalon, S., Hashemi, M., Guye, M., Makhalova, J., Bartolomei, F., & Jirsa, V. (2023). Delineating epileptogenic networks using brain imaging data and personalized modeling in drug-resistant epilepsy. Science Translational Medicine, 15(680). https://doi.org/10.1126/scitranslmed.abp8982"]}