cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1pggvg
title: CCDC 1563046: Experimental Crystal Structure Determination

description: Related Article: A. S. Ovsyannikov, S. Ferlay, S. E. Solovieva, I. S. Antipin, A. I. Konovalov, N. Kyritsakas, M. W. Hosseini|2018|CrystEngComm|20|1130|doi:10.1039/C7CE02105D
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.cc1yyrj5
title: CCDC 1816058: Experimental Crystal Structure Determination

description: Related Article: Min-Seob Seo, Sumin Jang, Hyunwoo Kim|2018|Chem.Commun.|54|6804|doi:10.1039/C8CC00574E
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.30442870.v1
title: A new sesquiterpenoid from the roots of <i>Nardostachys jatamansi</i> (D.Don) DC

description: Five molecules, including a new sesquiterpenoid (3a<i>R</i>,5<i>R</i>,8a<i>R</i>)-5-isopropyl-8a-methyl-8-methyleneoctahydroazulen-3a(1H)-ol (<b>1</b>), valeranone (<b>2</b>), 4<i>β</i>,5<i>β</i>-dihydroxy-10-epi-eudesmane (<b>3</b>), halanpinol (<b>4</b>) and <i>β</i>-sitosterol (<b>5</b>), have been isolated from the roots of <i>Nardostachys jatamansi</i> (D.Don) DC. Compounds <b>2</b> and <b>3</b> have been reported for the first time from this plant species. The structure elucidation of these five molecules has been established based on 1D, 2D NMR and HRESIMS-based spectroscopic data analysis. All the isolated compounds were subjected to <i>in silico</i> molecular docking studies against multiple acetylcholinesterase proteins. Further <i>in vitro</i> potential of the compounds was also evaluated.
DOI: 10.5517/ccdc.csd.cc1yypm6
title: CCDC 1815999: Experimental Crystal Structure Determination

description: Related Article: Jianmin Hao, Sijia Li, Limin Han, Lin Cheng, Quanling Suo, Yang Xiao, Xiaoli Jiao, Xuemin Feng, Weiwei Bai, Xiaofei Song|2014|Inorg.Chim.Acta|421|246|doi:10.1016/j.ica.2014.06.005
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.cc1yypp8
title: CCDC 1816001: Experimental Crystal Structure Determination

description: Related Article: Lei Gao, Chang Liu, Fei Wang, Wen-Kui Dong|2018|Crystals|8|77|doi:10.3390/cryst8020077
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.30442870
title: A new sesquiterpenoid from the roots of <i>Nardostachys jatamansi</i> (D.Don) DC

description: Five molecules, including a new sesquiterpenoid (3a<i>R</i>,5<i>R</i>,8a<i>R</i>)-5-isopropyl-8a-methyl-8-methyleneoctahydroazulen-3a(1H)-ol (<b>1</b>), valeranone (<b>2</b>), 4<i>β</i>,5<i>β</i>-dihydroxy-10-epi-eudesmane (<b>3</b>), halanpinol (<b>4</b>) and <i>β</i>-sitosterol (<b>5</b>), have been isolated from the roots of <i>Nardostachys jatamansi</i> (D.Don) DC. Compounds <b>2</b> and <b>3</b> have been reported for the first time from this plant species. The structure elucidation of these five molecules has been established based on 1D, 2D NMR and HRESIMS-based spectroscopic data analysis. All the isolated compounds were subjected to <i>in silico</i> molecular docking studies against multiple acetylcholinesterase proteins. Further <i>in vitro</i> potential of the compounds was also evaluated.
DOI: 10.6084/m9.figshare.30442871.v1
title: Biochemical profiling, anti-biofilm, and anti-quorum sensing activities of <i>Psophocarpus tetragonolobus</i> (L.) DC. root-tuber

description: The root-tuber of underutilised <i>Psophocarpus tetragonolobus</i> (L.) DC., was evaluated for its biochemical, elemental, and antimicrobial properties. It revealed a high phenolic (456.58 µg GAE/mg) and flavonoid (586.27 µg QE/mg) content, with quercetin being the most abundant compound. High-performance liquid chromatography (HPLC) profiling reported the presence of catechin, epicatechin, gallic acid, and rutin. Elemental analysis confirmed the presence of beneficial minerals and absence of heavy metals in the root-tuber. Methanolic extracts demonstrated quorum sensing inhibition activity against <i>Chromobacterium violaceum</i> and significant antibiofilm inhibition activity against <i>Pseudomonas aeruginosa</i> PAO1. Molecular docking analyses revealed a strong binding affinity of lectins and thaumatin-like proteins with peroxidase and Glutathione S-Transferase (GST) enzymes, suggesting a mechanistic basis for their antimicrobial action. These findings support the therapeutic and nutraceutical potential of <i>P. tetragonolobus</i> root-tuber.
DOI: 10.5517/ccdc.csd.cc1yypn7
title: CCDC 1816000: Experimental Crystal Structure Determination

description: Related Article: Lei Gao, Chang Liu, Fei Wang, Wen-Kui Dong|2018|Crystals|8|77|doi:10.3390/cryst8020077
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.30442871
title: Biochemical profiling, anti-biofilm, and anti-quorum sensing activities of <i>Psophocarpus tetragonolobus</i> (L.) DC. root-tuber

description: The root-tuber of underutilised <i>Psophocarpus tetragonolobus</i> (L.) DC., was evaluated for its biochemical, elemental, and antimicrobial properties. It revealed a high phenolic (456.58 µg GAE/mg) and flavonoid (586.27 µg QE/mg) content, with quercetin being the most abundant compound. High-performance liquid chromatography (HPLC) profiling reported the presence of catechin, epicatechin, gallic acid, and rutin. Elemental analysis confirmed the presence of beneficial minerals and absence of heavy metals in the root-tuber. Methanolic extracts demonstrated quorum sensing inhibition activity against <i>Chromobacterium violaceum</i> and significant antibiofilm inhibition activity against <i>Pseudomonas aeruginosa</i> PAO1. Molecular docking analyses revealed a strong binding affinity of lectins and thaumatin-like proteins with peroxidase and Glutathione S-Transferase (GST) enzymes, suggesting a mechanistic basis for their antimicrobial action. These findings support the therapeutic and nutraceutical potential of <i>P. tetragonolobus</i> root-tuber.
DOI: 10.5517/ccdc.csd.cc1yypq9
title: CCDC 1816002: Experimental Crystal Structure Determination

description: Related Article: Lei Gao, Chang Liu, Fei Wang, Wen-Kui Dong|2018|Crystals|8|77|doi:10.3390/cryst8020077
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.cc1yyq3q
title: CCDC 1816014: Experimental Crystal Structure Determination

description: Related Article: Changyan Guo, Haobin Zhang, Xiaochuan Wang, Jinjiang Xu, Yu Liu, Xiaofeng Liu, Hui Huang, Jie Sun|2013|J.Mol.Struct.|1048|267|doi:10.1016/j.molstruc.2013.05.025
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.cc1qbt73
title: CCDC 1589315: Experimental Crystal Structure Determination

description: Related Article: Sylvain Sutour,  Bruno Therrien,  Stephan H. von Reuss,  and Félix Tomi|2018|J.Nat.Prod.|81|279|doi:10.1021/acs.jnatprod.7b00706
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.cc1yyq7v
title: CCDC 1816018: Experimental Crystal Structure Determination

description: Related Article: Mieko Arisawa, Kyosuke Sawahata, Tomoki Yamada, Debayan Sarkar, Masahiko Yamaguchi|2018|Org.Lett.|20|938|doi:10.1021/acs.orglett.7b03825
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.cc1yyqj4
title: CCDC 1816027: Experimental Crystal Structure Determination

description: Related Article: Chiaki Yamamoto, Kazutaka Takamatsu, Koji Hirano, and Masahiro Miura|2018|Heterocycles|97|395|doi:10.3987/COM-18-S(T)27
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.cc1yyqk5
title: CCDC 1816028: Experimental Crystal Structure Determination

description: Related Article: Chiaki Yamamoto, Kazutaka Takamatsu, Koji Hirano, and Masahiro Miura|2018|Heterocycles|97|395|doi:10.3987/COM-18-S(T)27
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.cc1np7vf
title: CCDC 1539765: Experimental Crystal Structure Determination

description: Related Article: S. Öztürk Yıldırım, R.J. Butcher|2018|IUCrData|3|x180062|doi:10.1107/S2414314618000627
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.cc1yyr7w
title: CCDC 1816049: Experimental Crystal Structure Determination

description: Related Article: Rodisnel Perdomo Rivera,  Peter Ehlers,  Lars Ohlendorf,  Eugenio Torres Rodríguez,  Alexander Villinger and Peter Langer|2018|Eur.J.Org.Chem.|2018|990|doi:10.1002/ejoc.201701718
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.cc1yyr8x
title: CCDC 1816050: Experimental Crystal Structure Determination

description: Related Article: Rodisnel Perdomo Rivera,  Peter Ehlers,  Lars Ohlendorf,  Eugenio Torres Rodríguez,  Alexander Villinger and Peter Langer|2018|Eur.J.Org.Chem.|2018|990|doi:10.1002/ejoc.201701718
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.cc1yyr9y
title: CCDC 1816051: Experimental Crystal Structure Determination

description: Related Article: Rodisnel Perdomo Rivera,  Peter Ehlers,  Lars Ohlendorf,  Eugenio Torres Rodríguez,  Alexander Villinger and Peter Langer|2018|Eur.J.Org.Chem.|2018|990|doi:10.1002/ejoc.201701718
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.cc1yyrc0
title: CCDC 1816053: Experimental Crystal Structure Determination

description: Related Article: Marco Paolino,  Giorgio Grisci,  Annalisa Reale,  Vincenzo Razzano,  Germano Giuliani,  Alessandro Donati,  Raniero Mendichi,  Daniele Piovani,  Antonella Boccia,  Alessandro Grillo,  Gianluca Giorgi,  Andrea Cappelli|2018|Polymers|10|752|doi:10.3390/polym10070752
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.cc1yyrd1
title: CCDC 1816054: Experimental Crystal Structure Determination

description: Related Article: Marco Paolino,  Giorgio Grisci,  Annalisa Reale,  Vincenzo Razzano,  Germano Giuliani,  Alessandro Donati,  Raniero Mendichi,  Daniele Piovani,  Antonella Boccia,  Alessandro Grillo,  Gianluca Giorgi,  Andrea Cappelli|2018|Polymers|10|752|doi:10.3390/polym10070752
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.cc1yyrf2
title: CCDC 1816055: Experimental Crystal Structure Determination

description: Related Article: Marco Paolino,  Giorgio Grisci,  Annalisa Reale,  Vincenzo Razzano,  Germano Giuliani,  Alessandro Donati,  Raniero Mendichi,  Daniele Piovani,  Antonella Boccia,  Alessandro Grillo,  Gianluca Giorgi,  Andrea Cappelli|2018|Polymers|10|752|doi:10.3390/polym10070752
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.cc1yyrh4
title: CCDC 1816057: Experimental Crystal Structure Determination

description: Related Article: Alan L. Myers, Yan-Ping Zhang, Mark A. Kramer, William G. Bornmann, Ahmed Kaseb, Peiying Yang, Hai T. Tran|2012|Lett.Org.Chem.|9|762|doi:10.2174/157017812803901890
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.cc1yvm1g
title: CCDC 1813036: Experimental Crystal Structure Determination

description: Related Article: Conrad A. P. Goodwin,   Floriana Tuna,   Eric J. L. McInnes,   David P. Mills|2018|Eur.J.Inorg.Chem.||2356|doi:10.1002/ejic.201800036 
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.cc1yxxsk
title: CCDC 1815260: Experimental Crystal Structure Determination

description: Related Article: Hiroki Yokoi,  Satoru Hiroto,  Hiroshi Shinokubo|2018|J.Am.Chem.Soc.|140|4649|doi:10.1021/jacs.8b00798
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/cc1j7mgv
title: CCDC 1407507: Experimental Crystal Structure Determination

description: Related Article: Li-Xin You, Bai-Bei Zhao, Hui-Jie Liu, Shu-Ju Wang, Gang Xiong, Yong-Ke He, Fu Ding, Jonas J. Joos, Philippe F. Smet, Ya-Guang Sun|2018|CrystEngComm|20|615|doi:10.1039/C7CE01773A
description: Related Article: Yining Sun|2015|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.cc1yyrzm
title: CCDC 1816072: Experimental Crystal Structure Determination

description: Related Article: Junfeng Wang, Ziwen Cong, Xiaolong Huang, Chenxi Hou, Weihao Chen, Zhengchao Tu, Dongyi Huang, Yonghong Liu|2018|Org.Lett.|20|1371|doi:10.1021/acs.orglett.8b00142
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.cc1m2sq6
title: CCDC 1492238: Experimental Crystal Structure Determination

description: Related Article: Jessica Castro, Ester Manrique, Marlon Bravo, Maria Vilanova, Antoni Benito, Xavier Fontrodona, Montserrat Rodríguez, Isabel Romero|2018|J.Inorg.Biochem.|182|124|doi:10.1016/j.jinorgbio.2018.01.021
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.cc1yys2r
title: CCDC 1816075: Experimental Crystal Structure Determination

description: Related Article: Pavlo Kos and Herbert Plenio|2015|Chem.-Eur.J.|21|1088|doi:10.1002/chem.201405316
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.cc1yys3s
title: CCDC 1816076: Experimental Crystal Structure Determination

description: Related Article: Zhang-Xin Yu,  Cai-Juan Zheng,  Guang-Ying Chen,  Rong-Li Huang,  Xue-Ming Zhou,  Zhi-Gang Niu,  Xiao-Bao Li,  Chang-Ri Han,  and Xiao-Ping Song|2019|J.Nat.Prod.|82|27|doi:10.1021/acs.jnatprod.8b00243
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.cc1yys4t
title: CCDC 1816077: Experimental Crystal Structure Determination

description: Related Article: Zhang-Xin Yu,  Cai-Juan Zheng,  Guang-Ying Chen,  Rong-Li Huang,  Xue-Ming Zhou,  Zhi-Gang Niu,  Xiao-Bao Li,  Chang-Ri Han,  and Xiao-Ping Song|2019|J.Nat.Prod.|82|27|doi:10.1021/acs.jnatprod.8b00243
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.cc1yys5v
title: CCDC 1816078: Experimental Crystal Structure Determination

description: Related Article: Zhang-Xin Yu,  Cai-Juan Zheng,  Guang-Ying Chen,  Rong-Li Huang,  Xue-Ming Zhou,  Zhi-Gang Niu,  Xiao-Bao Li,  Chang-Ri Han,  and Xiao-Ping Song|2019|J.Nat.Prod.|82|27|doi:10.1021/acs.jnatprod.8b00243
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.cc1yys6w
title: CCDC 1816079: Experimental Crystal Structure Determination

description: Related Article: Qing Zeng,  Demin Ren,  Xingliang Fu,  Xiaofang Li|2018|J.Chem.Res.|42|260|doi:10.3184/174751918X15260567362969
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.cc1yyssg
title: CCDC 1816097: Experimental Crystal Structure Determination

description: Related Article: Chao-Ze Zhu, Jian-Jun Feng, Junliang Zhang|2018|Chem.Commun.|54|2401|doi:10.1039/C8CC00279G
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.