cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc4xdbr
title: CCDC 146454: Experimental Crystal Structure Determination

description: Related Article: Y.Mekmouche, S.Menage, C.Toia-Duboc, M.Fontecave, J.-B.Galey, C.Lebrun, J.Pecaut|2001|Angew.Chem.,Int.Ed.|40|949|doi:10.1002/1521-3773(20010302)40:5<949::AID-ANIE949>3.3.CO;2-W
description: Related Article: Y.Mekmouche, S.Menage, J.Pecaut, C.Lebrun, L.Reilly, V.Schuenemann, A.Trautwein, M.Fontecave|2004|Eur.J.Inorg.Chem.|2004|3163|doi:10.1002/ejic.200300926
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/cc4xdcs
title: CCDC 146455: Experimental Crystal Structure Determination

description: Related Article: Y.Mekmouche, S.Menage, C.Toia-Duboc, M.Fontecave, J.-B.Galey, C.Lebrun, J.Pecaut|2001|Angew.Chem.,Int.Ed.|40|949|doi:10.1002/1521-3773(20010302)40:5<949::AID-ANIE949>3.3.CO;2-W
description: Related Article: Y.Mekmouche, S.Menage, J.Pecaut, C.Lebrun, L.Reilly, V.Schuenemann, A.Trautwein, M.Fontecave|2004|Eur.J.Inorg.Chem.|2004|3163|doi:10.1002/ejic.200300926
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/cc50hg3
title: CCDC 149434: Experimental Crystal Structure Determination

description: Related Article: C.Bibal, S.Mazieres, H.Gornitzka, C.Couret|2001|Angew.Chem.,Int.Ed.|40|952|doi:10.1002/1521-3773(20010302)40:5<952::AID-ANIE952>3.3.CO;2-J
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/cc506kx
title: CCDC 149158: Experimental Crystal Structure Determination

description: Related Article: M.Nowotny, T.Maschmeyer, B.F.G.Johnson, P.Lahuerta, J.M.Thomas, J.E.Davies|2001|Angew.Chem.,Int.Ed.|40|955|doi:10.1002/1521-3773(20010302)40:5<955::AID-ANIE955>3.3.CO;2-7
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/cc50b8r
title: CCDC 149273: Experimental Crystal Structure Determination

description: Related Article: Y.Matsuo, K.Mashima, K.Tani|2001|Angew.Chem.,Int.Ed.|40|960|doi:10.1002/1521-3773(20010302)40:5<960::AID-ANIE960>3.0.CO;2-W
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/cc50b9s
title: CCDC 149274: Experimental Crystal Structure Determination

description: Related Article: Y.Matsuo, K.Mashima, K.Tani|2001|Angew.Chem.,Int.Ed.|40|960|doi:10.1002/1521-3773(20010302)40:5<960::AID-ANIE960>3.0.CO;2-W
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/cc523fr
title: CCDC 150983: Experimental Crystal Structure Determination

description: Related Article: C.Held, R.Frohlich, P.Metz|2001|Angew.Chem.,Int.Ed.|40|1058|doi:10.1002/1521-3773(20010316)40:6<1058::AID-ANIE10580>3.3.CO;2-V
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/cc539k3
title: CCDC 152134: Experimental Crystal Structure Determination

description: Related Article: T.Nakajima, A.Ishiguro, Y.Wakatsuki|2001|Angew.Chem.,Int.Ed.|40|1066|doi:10.1002/1521-3773(20010316)40:6<1066::AID-ANIE10660>3.0.CO;2-1
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/cc539l4
title: CCDC 152135: Experimental Crystal Structure Determination

description: Related Article: T.Nakajima, A.Ishiguro, Y.Wakatsuki|2001|Angew.Chem.,Int.Ed.|40|1066|doi:10.1002/1521-3773(20010316)40:6<1066::AID-ANIE10660>3.0.CO;2-1
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/cc539m5
title: CCDC 152136: Experimental Crystal Structure Determination

description: Related Article: T.Nakajima, A.Ishiguro, Y.Wakatsuki|2001|Angew.Chem.,Int.Ed.|40|1066|doi:10.1002/1521-3773(20010316)40:6<1066::AID-ANIE10660>3.0.CO;2-1
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/cc4xt72
title: CCDC 146854: Experimental Crystal Structure Determination

description: Related Article: L.J.Childs, N.W.Alcock, M.J.Hannon|2001|Angew.Chem.,Int.Ed.|40|1079|doi:10.1002/1521-3773(20010316)40:6<1079::AID-ANIE10790>3.0.CO;2-Q
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/cc4z53c
title: CCDC 148152: Experimental Crystal Structure Determination

description: Related Article: Shi-Xiong Liu, Shen Lin, Bi-Zhou Lin, Chi-Chang Lin, Jian-Quan Huang|2001|Angew.Chem.,Int.Ed.|40|1084|doi:10.1002/1521-3773(20010316)40:6<1084::AID-ANIE10840>3.3.CO;2-L
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/cc4z54d
title: CCDC 148153: Experimental Crystal Structure Determination

description: Related Article: Shi-Xiong Liu, Shen Lin, Bi-Zhou Lin, Chi-Chang Lin, Jian-Quan Huang|2001|Angew.Chem.,Int.Ed.|40|1084|doi:10.1002/1521-3773(20010316)40:6<1084::AID-ANIE10840>3.3.CO;2-L
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/cc52mf8
title: CCDC 151479: Experimental Crystal Structure Determination

description: Related Article: G.Grogan, J.Graf, A.Jones, S.Parsons, N.J.Turner, S.L.Flitsch|2001|Angew.Chem.,Int.Ed.|40|1111|doi:10.1002/1521-3773(20010316)40:6<1111::AID-ANIE11110>3.3.CO;2-U
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/cc51j8z
title: CCDC 150420: Experimental Crystal Structure Determination

description: Related Article: R.Goikhman, D.Milstein|2001|Angew.Chem.,Int.Ed.|40|1119|doi:10.1002/1521-3773(20010316)40:6<1119::AID-ANIE11190>3.3.CO;2-E
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/cc5b2vd
title: CCDC 158653: Experimental Crystal Structure Determination

description: Related Article: B.M.Trost, F.D.Toste|2001|Angew.Chem.,Int.Ed.|40|1114|doi:10.1002/1521-3773(20010316)40:6<1114::AID-ANIE11140>3.0.CO;2-X
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/cc51j90
title: CCDC 150421: Experimental Crystal Structure Determination

description: Related Article: R.Goikhman, D.Milstein|2001|Angew.Chem.,Int.Ed.|40|1119|doi:10.1002/1521-3773(20010316)40:6<1119::AID-ANIE11190>3.3.CO;2-E
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/cc52v35
title: CCDC 151686: Experimental Crystal Structure Determination

description: Related Article: B.Le Guennic, Haijun Jiao, S.Kahlal, J.-Y.Saillard, J.-F.Halet, S.Ghosh, Maoyu Shang, A.M.Beatty, A.L.Rheingold, T.P.Fehlner|2004|J.Am.Chem.Soc.|126|3203|doi:10.1021/ja039770b
description: Related Article: S.Ghosh, Maoyu Shang, Yaping Li, T.P.Fehlner|2001|Angew.Chem.,Int.Ed.|40|1125|doi:10.1002/1521-3773(20010316)40:6<1125::AID-ANIE11250>3.0.CO;2-P
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/cc52v46
title: CCDC 151687: Experimental Crystal Structure Determination

description: Related Article: B.Le Guennic, Haijun Jiao, S.Kahlal, J.-Y.Saillard, J.-F.Halet, S.Ghosh, Maoyu Shang, A.M.Beatty, A.L.Rheingold, T.P.Fehlner|2004|J.Am.Chem.Soc.|126|3203|doi:10.1021/ja039770b
description: Related Article: S.Ghosh, Maoyu Shang, Yaping Li, T.P.Fehlner|2001|Angew.Chem.,Int.Ed.|40|1125|doi:10.1002/1521-3773(20010316)40:6<1125::AID-ANIE11250>3.0.CO;2-P
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/cc52v57
title: CCDC 151688: Experimental Crystal Structure Determination

description: Related Article: B.Le Guennic, Haijun Jiao, S.Kahlal, J.-Y.Saillard, J.-F.Halet, S.Ghosh, Maoyu Shang, A.M.Beatty, A.L.Rheingold, T.P.Fehlner|2004|J.Am.Chem.Soc.|126|3203|doi:10.1021/ja039770b
description: Related Article: S.Ghosh, Maoyu Shang, Yaping Li, T.P.Fehlner|2001|Angew.Chem.,Int.Ed.|40|1125|doi:10.1002/1521-3773(20010316)40:6<1125::AID-ANIE11250>3.0.CO;2-P
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/cc544q4
title: CCDC 152945: Experimental Crystal Structure Determination

description: Related Article: Quan-Ming Wang, T.C.W.Mak|2001|Angew.Chem.,Int.Ed.|40|1130|doi:10.1002/1521-3773(20010316)40:6<1130::AID-ANIE11300>3.3.CO;2-K
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/cc544r5
title: CCDC 152946: Experimental Crystal Structure Determination

description: Related Article: Quan-Ming Wang, T.C.W.Mak|2001|Angew.Chem.,Int.Ed.|40|1130|doi:10.1002/1521-3773(20010316)40:6<1130::AID-ANIE11300>3.3.CO;2-K
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/cc544s6
title: CCDC 152947: Experimental Crystal Structure Determination

description: Related Article: Quan-Ming Wang, T.C.W.Mak|2001|Angew.Chem.,Int.Ed.|40|1130|doi:10.1002/1521-3773(20010316)40:6<1130::AID-ANIE11300>3.3.CO;2-K
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/cc50l4w
title: CCDC 149517: Experimental Crystal Structure Determination

description: Related Article: T.Konno, K.Tokuda, J.Sakurai, K.Okamoto|2000|Bull.Chem.Soc.Jpn.|73|2767|doi:10.1246/bcsj.73.2767
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/cc51jf4
title: CCDC 150425: Experimental Crystal Structure Determination

description: Related Article: O.Tissot, M.Gouygou, F.Dallemer, J.-C.Daran, G.G.A.Balavoine|2001|Angew.Chem.,Int.Ed.|40|1076|doi:10.1002/1521-3773(20010316)40:6<1076::AID-ANIE10760>3.3.CO;2-N
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/cc50l6y
title: CCDC 149519: Experimental Crystal Structure Determination

description: Related Article: T.Konno, K.Tokuda, J.Sakurai, K.Okamoto|2000|Bull.Chem.Soc.Jpn.|73|2767|doi:10.1246/bcsj.73.2767
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/cc5d1g1
title: CCDC 160532: Experimental Crystal Structure Determination

description: Related Article: N.G.Connelly, D.J.H.Emslie, W.E.Geiger, O.D.Hayward, E.B.Linehan, A.G.Orpen, M.J.Quayle, P.H.Rieger|2001|J.Chem.Soc.,Dalton Trans.||670|doi:10.1039/b008131k
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: 10.34804/supra.20210928187
title: ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger

description: A template-directed protocol, which capitalizes on donor–acceptor interactions, is employed to synthesize a semi-rigid cyclophane (ExBox4+) that adopts a box-like geometry and is comprised of π-electron-poor 1,4-phenylene-bridged (“extended”) bipyridinium units (ExBIPY2+). ExBox4+ functions as a high-affinity scavenger of an array of different polycyclic aromatic hydrocarbons (PAHs), ranging from two to seven fused rings, as a result of its large, accommodating cavity (approximately 3.5 Å in width and 11.2 Å in length when considering the van der Waals radii) and its ability to form strong non-covalent bonding interactions with π-electron-rich PAHs in either organic or aqueous media. In all, 11 PAH guests were observed to form inclusion complexes with ExBox4+, with coronene being the largest included guest. Single-crystal X-ray diffraction data for the 11 inclusion complexes ExBox4+⊂PAH as well as UV/vis spectroscopic data for 10 of the complexes provide evidence of the promiscuity of ExBox4+ for the various PAHs. Nuclear magnetic resonance spectroscopy and isothermal titration calorimetric analyses of 10 of the inclusion complexes are employed to further characterize the host–guest interactions in solution and determine the degree with which ExBox4+ binds each PAH compound. As a proof-of-concept, a batch of crude oil from Saudi Arabia was subjected to extraction with the water-soluble form of the PAH receptor, ExBox·4Cl, resulting in the isolation of different aromatic compounds after ExBox·4Cl was regenerated.
DOI: 10.34804/supra.20220628439
title: Eukaryotic Cell Toxicity and HSA Binding of [Ru(Me4phen)(bb7)]2+ and the Effect of Encapsulation in Cucurbit[10]uril

description: The toxicity (IC50) of a series of mononuclear ruthenium complexes containing bis[4(4′-methyl-2,2′-bipyridyl)]-1,n-alkane (bbn) as a tetradentate ligand against three eukaryotic cell lines—BHK (baby hamster kidney), Caco-2 (heterogeneous human epithelial colorectal adenocarcinoma) and Hep-G2 (liver carcinoma)—have been determined. The results demonstrate that cis-α-[Ru(Me4phen)(bb7)]2+ (designated as α-Me4phen-bb7, where Me4phen = 3,4,7,8-tetramethyl-1,10-phenanthroline) showed little toxicity toward the three cell lines, and was considerably less toxic than cis-α-[Ru(phen)(bb12)]2+ (α-phen-bb12) and the dinuclear complex [{Ru(phen)2}2{μ-bb12}]4+. Fluorescence spectroscopy was used to study the binding of the ruthenium complexes with human serum albumin (HSA). The binding of α-Me4phen-bb7 to the macrocyclic host molecule cucurbit[10]uril (Q[10]) was examined by NMR spectroscopy. Large upfield 1H NMR chemical shift changes observed for the methylene protons in the bb7 ligand upon addition of Q[10], coupled with the observation of several intermolecular ROEs in ROESY spectra, indicated that α-Me4phen-bb7 bound Q[10] with the bb7 methylene carbons within the cavity and the metal center positioned outside one of the portals. Simple molecular modeling confirmed the feasibility of the binding model. An α-Me4phen-bb7-Q[10] binding constant of 9.9 ± 0.2 × 106 M−1 was determined by luminescence spectroscopy. Q[10]-encapsulation decreased the toxicity of α-Me4phen-bb7 against the th...
DOI: 10.34804/supra.20210928150
title: Study on the inclusion interaction of cucurbit[n]urils with sanguinarine by spectrofluorimetry and its analytical application

description: null
DOI: 10.34804/supra.2021092846
title: Interactions of amphiphilic drugs with?-,?-, and?-cyclodextrins

description: The association of several amphiphilic drugs with α-, β-, and γ-cyclodextrins has been measured by use of drug-sensitive electrodes. Drugs investigated are hydrochlorides of chlorpromazine, dibucaine, tetracaine, and procaine, and valethamate bromide. Each drug forms the drug:cyclodextrin=1∶1 complex with α- and β-cyclodextrin, and both the 1∶1 and 2∶1 complex with γ-cyclodextrin, except valethamate which only forms the 1∶1 complex. The strength of the 1∶1 complex formations is in the order of βCyD>α-CyD>γ-CyD. The association constant of the 2∶1 complex in drug-γ-CyD is larger than that of 1∶1 complex. The free energy change of the conplex formation has a positive correlation with that of the micelle formation of drugs. The deviation from this relation is explained in terms of fittability of the bulky hydrophobic group of drugs into the cyclodextrin's cavity. The free energy change for the complex formation between chlopromazine or valethamate and β-CyD is governed by the enthalpy term and not by the entropy term which controls the surfactant-β-CyD interactions.
DOI: 10.60712/si-id180120.1
title: StrainInfo SI-ID 180120.1

description: StrainInfo dataset 180120 about a strain of Metschnikowia gruessii. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id180121.1
title: StrainInfo SI-ID 180121.1

description: StrainInfo dataset 180121 about a strain of Metschnikowia pulcherrima. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id179945.1
title: StrainInfo SI-ID 179945.1

description: StrainInfo dataset 179945 about a strain of Pichia. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id179946.1
title: StrainInfo SI-ID 179946.1

description: StrainInfo dataset 179946 about a strain of Pichia. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.