cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2f42zn
title: CCDC 2238261: Experimental Crystal Structure Determination

description: Related Article: Sukanya Bagchi, Sujit Kamilya, Sakshi Mehta, Subhankar Mandal, Arka Bandyopadhyay, Awadhesh Narayan, Subrata Ghosh, Abhishake Mondal|2023|Dalton Trans.|52|11335|doi:10.1039/D3DT01707A
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: 10.57841/casdc.0001967
title: 不同钢轨材料的风沙冲蚀磨损与损伤行为研究
DOI: 10.5526/erdr-00000184
title: What Makes a Habitat a Home: Understanding Settlement and Recruitment Variation in European Sea Bass, Dicentrarchus labrax
DOI: 10.57841/casdc.0001968
title: 预紧方式对弹流润滑下角接触球轴承内部力学特性的影响
DOI: 10.6084/m9.figshare.21948435
title: The concentration and type of emulsifier rules the oil/water and water/oil/water emulsion size distribution

description: In the present work, we studied the effect of increasing different emulsifiers concentration on the size distribution of a simple emulsion (O/W) and double emulsion (W/OW). In one hand, we observed that increasing polycaprolactone (PCL) concentration in the O/W emulsion, the size of the droplets decreased. On the other hand, increasing the concentration of polyvinyl alcohol (PVA), pluronic f68 or bovine serum albumin (BSA) as second emulsion stabilizers of the “W/O/W” emulsion led to micrometer size droplets in all cases up to 7 μm. Also, when the concentration of pluronic f68 increased from 1.5% w/v to 6.0% w/v the size distribution of the double emulsion turned from polydisperse to monodisperse. We conclude that the chemical structure of pluronic provide a more stabilizing effect to the emulsion than PVA or BSA. Finally, we studied the inner morphology of the “W/O/W” by Focused Ion Beam technique combined with Scanning Electron Microscopy (FIB-SEM) and confirmed the development of a double emulsion. These results are promising for cosmetics of pharmaceutical applications because it is important to obtain a monodisperse size distribution of the emulsion and a detailed characterization of inner morphology of the microspheres.
DOI: 10.6084/m9.figshare.21948435.v2
title: The concentration and type of emulsifier rules the oil/water and water/oil/water emulsion size distribution

description: In the present work, we studied the effect of increasing different emulsifiers concentration on the size distribution of a simple emulsion (O/W) and double emulsion (W/OW). In one hand, we observed that increasing polycaprolactone (PCL) concentration in the O/W emulsion, the size of the droplets decreased. On the other hand, increasing the concentration of polyvinyl alcohol (PVA), pluronic f68 or bovine serum albumin (BSA) as second emulsion stabilizers of the “W/O/W” emulsion led to micrometer size droplets in all cases up to 7 μm. Also, when the concentration of pluronic f68 increased from 1.5% w/v to 6.0% w/v the size distribution of the double emulsion turned from polydisperse to monodisperse. We conclude that the chemical structure of pluronic provide a more stabilizing effect to the emulsion than PVA or BSA. Finally, we studied the inner morphology of the “W/O/W” by Focused Ion Beam technique combined with Scanning Electron Microscopy (FIB-SEM) and confirmed the development of a double emulsion. These results are promising for cosmetics of pharmaceutical applications because it is important to obtain a monodisperse size distribution of the emulsion and a detailed characterization of inner morphology of the microspheres.
DOI: 10.25345/c5xp6vd75
title: MassIVE MSV000092747 - Expanding the MAPPs assay to accommodate MHC-II pan re-ceptors for improved predictability of potential T cell epitopes
title: The appended raw files, csv files and other documents were deposited in the public domain in support for the publication "Expanding the MAPPs assay to accommodate MHC-II pan re-ceptors for improved predictability of potential T cell epitopes" by Katharina Hartman, Guido Steiner, Michel Siegel, Cary M. Looney, Timothy P. Hickling, Katharine Bray-French, Sebastian Springer, Celine Marban-Doran and Axel Ducret. The abstract is as follows: A critical step in the immunogenicity cascade is attributed to human leukocyte antigen (HLA) II presentation triggering T cell immune responses. The liquid chromatography-tandem mass spectrometry (LC-MS/MS)-based major histocompatibility complex (MHC) II-associated peptide proteomics (MAPPs) assay is implemented during preclinical risk assessments to identify bio-therapeutic-derived T cell epitopes. Although studies indicate HLA-DP and HLA-DQ alleles are linked to immunogenicity, most MAPPs studies are restricted to HLA-DR as the dominant HLA II genotype due to lack of well-characterized immunoprecipitating antibodies. Herein we ad-dress this issue by testing various commercially-available clones of MHC-II pan (CR3/43, WR18, and Tu39), HLA-DP (B7/21), and HLA-DQ (SPV-L3 and 1a3) antibodies in the MAPPs assay, and characterizing identified peptides according to binding specificity. Our results reveal that HLA II receptor-precipitating reagents with similar reported specificities differ based on clonality and that MHC-II pan antibodies do not entirely exhibit pan-specific tendencies. Since no individual antibody clone is able to recover the complete HLA II peptide repertoire, we recommend a mixed strategy of clones L243, WR18, and SPV-L3 in a single immunoprecipitation step for more robust compound-specific peptide detection. Ultimately, our optimized MAPPs strategy im-proves the predictability and additional identification of T cell epitopes in immunogenicity risk assessments. The dataset is divided in two sections, one supporting the figures 1-4, the other one supporting the figure 5-6. The collective data has aslo be used to generate the supplementary tables S1-S9.
DOI: 10.5517/ccdc.csd.cc21k3h7
title: CCDC 1893278: Experimental Crystal Structure Determination

description: Related Article: Debanjana Biswal, Nikhil Ranjan Pramanik, Michael G. B. Drew, Nancy Jangra, Mannar R. Maurya, Mousumi Kundu, Parames C. Sil, Syamal Chakrabarti|2019|New J.Chem.|43|17783|doi:10.1039/C9NJ02471A
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.cc226h82
title: CCDC 1912863: Experimental Crystal Structure Determination

description: Related Article: Toshiyuki Moriuchi, Takashi Sakuramoto, Masafumi Nishina, Yosuke Donaka, Toshikazu Hirao|2019|J.Inorg.Biochem.|203|110880|doi:10.1016/j.jinorgbio.2019.110880
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.cc20kppz
title: CCDC 1864051: Experimental Crystal Structure Determination

description: Related Article: Gholamhossein Mohammadnezhad, Oluseun Akintola, Axel Buchholz, Helmar Görls, Winfried Plass|2019|New J.Chem.|43|17735|doi:10.1039/C9NJ02881A
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.cc244f1s
title: CCDC 1970454: Experimental Crystal Structure Determination

description: Related Article: Cary R. Stennett, Thien H. Nguyen, Philip P. Power|2020|Inorg.Chem.|59|11079|doi:10.1021/acs.inorgchem.0c01572
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.cc24dg23
title: CCDC 1978174: Experimental Crystal Structure Determination

description: Related Article: Neetu Patel, A.K. Prajapati, R.N. Jadeja, R.N. Patel, S.K. Patel, I.P. Tripathi, N. Dwivedi, V.K. Gupta, Raymond.J. Butcher|2020|Polyhedron|180|114434|doi:10.1016/j.poly.2020.114434
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.cc24s054
title: CCDC 1989275: Experimental Crystal Structure Determination

description: Related Article: Fabian Mohr|2020|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.cc27nygb
title: CCDC 2075712: Experimental Crystal Structure Determination

description: Related Article: Sui Hasegawa, Yutaka Ishida, Hiroyuki Kawaguchi|2021|Chem.Commun.|57|8296|doi:10.1039/D1CC03463D
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.cc27qzrq
title: CCDC 2077674: Experimental Crystal Structure Determination

description: Related Article: Yuta Kawamoto, Iris Elser, Michael R. Buchmeiser, Kotohiro Nomura|2021|Organometallics|40|2017|doi:10.1021/acs.organomet.1c00271
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.cc2f42rf
title: CCDC 2238254: Experimental Crystal Structure Determination

description: Related Article: Sukanya Bagchi, Sujit Kamilya, Sakshi Mehta, Subhankar Mandal, Arka Bandyopadhyay, Awadhesh Narayan, Subrata Ghosh, Abhishake Mondal|2023|Dalton Trans.|52|11335|doi:10.1039/D3DT01707A
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.cc2f42sg
title: CCDC 2238255: Experimental Crystal Structure Determination

description: Related Article: Sukanya Bagchi, Sujit Kamilya, Sakshi Mehta, Subhankar Mandal, Arka Bandyopadhyay, Awadhesh Narayan, Subrata Ghosh, Abhishake Mondal|2023|Dalton Trans.|52|11335|doi:10.1039/D3DT01707A
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.cc2f430q
title: CCDC 2238262: Experimental Crystal Structure Determination

description: Related Article: Sukanya Bagchi, Sujit Kamilya, Sakshi Mehta, Subhankar Mandal, Arka Bandyopadhyay, Awadhesh Narayan, Subrata Ghosh, Abhishake Mondal|2023|Dalton Trans.|52|11335|doi:10.1039/D3DT01707A
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.cc2f431r
title: CCDC 2238263: Experimental Crystal Structure Determination

description: Related Article: Sukanya Bagchi, Sujit Kamilya, Sakshi Mehta, Subhankar Mandal, Arka Bandyopadhyay, Awadhesh Narayan, Subrata Ghosh, Abhishake Mondal|2023|Dalton Trans.|52|11335|doi:10.1039/D3DT01707A
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.cc2frm72
title: CCDC 2257024: Experimental Crystal Structure Determination

description: Related Article: Sen Wang, Fengxia Xie, Shiwen Zhang, Xiaoqiang Liang, Qianhang Gao, Yu Chen, Feng Zhang, Chen Wen, Lei Feng, Chengan Wan|2023|CrystEngComm|25|4701|doi:10.1039/D3CE00438D
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.cc2frm83
title: CCDC 2257025: Experimental Crystal Structure Determination

description: Related Article: Sen Wang, Fengxia Xie, Shiwen Zhang, Xiaoqiang Liang, Qianhang Gao, Yu Chen, Feng Zhang, Chen Wen, Lei Feng, Chengan Wan|2023|CrystEngComm|25|4701|doi:10.1039/D3CE00438D
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.cc21j91y
title: CCDC 1892489: Experimental Crystal Structure Determination

description: Related Article: Wendell Saraiva Costa, Yara Santiago de Oliveira, Alejandro Pedro Ayala|2023|CrystEngComm|25|4716|doi:10.1039/D3CE00103B
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.cc2g6922
title: CCDC 2270163: Experimental Crystal Structure Determination

description: Related Article: Krishna Pandey, Prachi Bhatia, Khwaja Mohammad, Vikas D. Ghule, Dheeraj Kumar|2023|Org.Biomol.Chem.|21|6604|doi:10.1039/D3OB00949A
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.cc2fn9fv
title: CCDC 2253837: Experimental Crystal Structure Determination

description: Related Article: Ya-Nan Zhou, Si-Jia Zhao, Wen-Xing Leng, Xu Zhang, Dong-Yan Liu, Jia-Hui Zhang, Zhen-Gang Sun, Yan-Yu Zhu, Han-Wen Zheng, Cheng-Qi Jiao|2023|Inorg.Chem.|62|12730|doi:10.1021/acs.inorgchem.3c01224
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.cc2dvwdk
title: CCDC 2230369: Experimental Crystal Structure Determination

description: Related Article: Renato Rabelo, Luminita Toma, Nicolás Moliner, Miguel Julve, Francesc Lloret, Mario Inclán, Enrique García-España, Jorge Pasán, Rafael Ruiz-García, Joan Cano|2023|Chemical Science|14|8850|doi:10.1039/D3SC02777E
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.cc2ghyrp
title: CCDC 2279453: Experimental Crystal Structure Determination

description: Related Article: Lea Dettling, Niklas Limberg, Raphaela Küppers, Daniel Frost, Manuela Weber, Nathan T. Coles, Diego M. Andrada, Christian Müller|2023|Chem.Commun.|59|10243|doi:10.1039/D3CC03268J
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.cc2ghytr
title: CCDC 2279455: Experimental Crystal Structure Determination

description: Related Article: Lea Dettling, Niklas Limberg, Raphaela Küppers, Daniel Frost, Manuela Weber, Nathan T. Coles, Diego M. Andrada, Christian Müller|2023|Chem.Commun.|59|10243|doi:10.1039/D3CC03268J
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.cc2ghysq
title: CCDC 2279454: Experimental Crystal Structure Determination

description: Related Article: Lea Dettling, Niklas Limberg, Raphaela Küppers, Daniel Frost, Manuela Weber, Nathan T. Coles, Diego M. Andrada, Christian Müller|2023|Chem.Commun.|59|10243|doi:10.1039/D3CC03268J
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.cc2ghyvs
title: CCDC 2279456: Experimental Crystal Structure Determination

description: Related Article: Lea Dettling, Niklas Limberg, Raphaela Küppers, Daniel Frost, Manuela Weber, Nathan T. Coles, Diego M. Andrada, Christian Müller|2023|Chem.Commun.|59|10243|doi:10.1039/D3CC03268J
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.cc2ghywt
title: CCDC 2279457: Experimental Crystal Structure Determination

description: Related Article: Lea Dettling, Niklas Limberg, Raphaela Küppers, Daniel Frost, Manuela Weber, Nathan T. Coles, Diego M. Andrada, Christian Müller|2023|Chem.Commun.|59|10243|doi:10.1039/D3CC03268J
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.cc2gk27c
title: CCDC 2280522: Experimental Crystal Structure Determination

description: Related Article: Christoph Riesinger, Alexander Erhard, Manfred Scheer|2023|Chem.Commun.|59|10117|doi:10.1039/D3CC03369D
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.cc2gk28d
title: CCDC 2280523: Experimental Crystal Structure Determination

description: Related Article: Christoph Riesinger, Alexander Erhard, Manfred Scheer|2023|Chem.Commun.|59|10117|doi:10.1039/D3CC03369D
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.cc2dpfl4
title: CCDC 2225136: Experimental Crystal Structure Determination

description: Related Article: Guowei Xiao, Yu-Juan Ma, Xiaoyu Fang, Changhai Xu, Dongpeng Yan|2023|Chem.Commun.|59|10113|doi:10.1039/D3CC03265E
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.