cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2ghxhd
title: CCDC 2279414: Experimental Crystal Structure Determination

description: Related Article: Aidan P. McKay, Kane C. Bastick, Allan J. B. Watson, David B. Cordes|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ghxjf
title: CCDC 2279415: Experimental Crystal Structure Determination

description: Related Article: Aidan P. McKay, Kane C. Bastick, Allan J. B. Watson, David B. Cordes|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15151/esrf-es-1337414098
title: Stockholm BAG

description: The Stockholm BAG is a constellation of seven research groups, whose PIs are affiliated to Karolinska Institutet (Adnane Achour, Jesper Haeggström, Luca Jovine and Robert Schnell) or Stockholm University (David Drew, Martin Hogböm, Pål Stenmark). Together, these groups are responsible for the large majority of the macromolecular crystallography research taking place in the Swedish capital. The scientific interests of the BAG encompass a broad variety of topics that include structural immunology, bacterial adhesion and toxicity, membrane proteins involved in inflammation and transport, fertilization, and enzymatic catalysis relevant to antibiotic production, green chemistry and cancer.
DOI: 10.5281/zenodo.8428384
title: Ancient varieties can help control weed density while preserving weed diversity

description: Weeds are a major component of agricultural diversity affecting crop yield and ecosystem services. Compared to modern varieties, ancient wheat cultivars (released before 1960) are taller and this trait can be used to control weeds in organic farming systems, especially without herbicides. However, there is still a lack of quantitative assessments of the relative contribution of wheat breeding-history (ancient vs modern varieties) and synthetic inputs in explaining weed density and community structure. In this study, a field experiment was undertaken where five modern and five ancient varieties were either treated as in a conventional system with synthetic inputs (nitrogen, herbicide and fungicide) or as in an organic system without synthetic inputs. Crop light interception and weed density was recorded for 12 weeks until crop maturity. On average, ancient varieties reduced weed density by 17% compared with modern varieties, while the application of chemical inputs was responsible for an average reduction of 37%. The stronger competitive effect of ancient varieties was associated with increased sunlight interception. Species richness was higher in the absence of inputs for some weeks, but not by the end of the experiment. The field-based results illustrated that ancient varieties helped to control weed density in organic systems that do not rely on synthetic inputs to control weeds. Despite this effect of crop interference on weed density, a reduction in weed diversity was not observed. These findings could be of particular interest to promote agrobiodiversity in agricultural systems without synthetic inputs.
DOI: 10.5281/zenodo.8428383
title: Ancient varieties can help control weed density while preserving weed diversity

description: Weeds are a major component of agricultural diversity affecting crop yield and ecosystem services. Compared to modern varieties, ancient wheat cultivars (released before 1960) are taller and this trait can be used to control weeds in organic farming systems, especially without herbicides. However, there is still a lack of quantitative assessments of the relative contribution of wheat breeding-history (ancient vs modern varieties) and synthetic inputs in explaining weed density and community structure. In this study, a field experiment was undertaken where five modern and five ancient varieties were either treated as in a conventional system with synthetic inputs (nitrogen, herbicide and fungicide) or as in an organic system without synthetic inputs. Crop light interception and weed density was recorded for 12 weeks until crop maturity. On average, ancient varieties reduced weed density by 17% compared with modern varieties, while the application of chemical inputs was responsible for an average reduction of 37%. The stronger competitive effect of ancient varieties was associated with increased sunlight interception. Species richness was higher in the absence of inputs for some weeks, but not by the end of the experiment. The field-based results illustrated that ancient varieties helped to control weed density in organic systems that do not rely on synthetic inputs to control weeds. Despite this effect of crop interference on weed density, a reduction in weed diversity was not observed. These findings could be of particular interest to promote agrobiodiversity in agricultural systems without synthetic inputs.
DOI: 10.5517/ccdc.csd.cc2ghzb9
title: CCDC 2279471: Experimental Crystal Structure Determination

description: Related Article: Rachel Slater, Graham Sandford, Dmitry S. Yufit, Judith A. K. Howard|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ghzrq
title: CCDC 2279484: Experimental Crystal Structure Determination

description: Related Article: Graham Pattison, Graham Sandford, Dmitry S. Yufit, Judith A. K. Howard|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gj034
title: CCDC 2279495: Experimental Crystal Structure Determination

description: Related Article: A. K. Bauri, Sabine Foro, A. F. M. Rahman Mustafizur |2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gj0xy
title: CCDC 2279520: Experimental Crystal Structure Determination

description: Related Article: David Johnson, Neil Cameron, Dmitry S. Yufit|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gj1hk
title: CCDC 2279538: Experimental Crystal Structure Determination

description: Related Article: Rachel Slater, Graham Sandford, Dmitry S. Yufit, Judith A. K. Howard|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2g0s9l
title: CCDC 2264869: Experimental Crystal Structure Determination

description: Related Article: Arruri Sathyanarayana, François Réveret, Laurent Jouffret, Damien Boyer, Geneviève Chadeyron, Federico Cisnetti|2023|Dalton Trans.|52|13677|doi:10.1039/D3DT01669B
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.cc2g0scn
title: CCDC 2264871: Experimental Crystal Structure Determination

description: Related Article: Arruri Sathyanarayana, François Réveret, Laurent Jouffret, Damien Boyer, Geneviève Chadeyron, Federico Cisnetti|2023|Dalton Trans.|52|13677|doi:10.1039/D3DT01669B
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.cc2g0rnx
title: CCDC 2264849: Experimental Crystal Structure Determination

description: Related Article: Arruri Sathyanarayana, François Réveret, Laurent Jouffret, Damien Boyer, Geneviève Chadeyron, Federico Cisnetti|2023|Dalton Trans.|52|13677|doi:10.1039/D3DT01669B
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.cc2gpkyp
title: CCDC 2284853: Experimental Crystal Structure Determination

description: Related Article: Simon Soldner, Olga Anhalt, Menyhárt B. Sárosi, Matthias Stolte, Frank Würthner|2023|Chem.Commun.|59|11656|doi:10.1039/D3CC03704E
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.cc2gpkzq
title: CCDC 2284854: Experimental Crystal Structure Determination

description: Related Article: Simon Soldner, Olga Anhalt, Menyhárt B. Sárosi, Matthias Stolte, Frank Würthner|2023|Chem.Commun.|59|11656|doi:10.1039/D3CC03704E
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.cc2gpl0s
title: CCDC 2284855: Experimental Crystal Structure Determination

description: Related Article: Simon Soldner, Olga Anhalt, Menyhárt B. Sárosi, Matthias Stolte, Frank Würthner|2023|Chem.Commun.|59|11656|doi:10.1039/D3CC03704E
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.cc2gpl1t
title: CCDC 2284856: Experimental Crystal Structure Determination

description: Related Article: Simon Soldner, Olga Anhalt, Menyhárt B. Sárosi, Matthias Stolte, Frank Würthner|2023|Chem.Commun.|59|11656|doi:10.1039/D3CC03704E
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: 10.5281/zenodo.8428481
title: Supplementary Data for Chaojie Yang's Dissertation

description: Supplementary Data for Chaojie Yang's Dissertation
DOI: 10.5517/ccdc.csd.cc2fw0fs
title: CCDC 2260285: Experimental Crystal Structure Determination

description: Related Article: Yuuya Kawasaki, Tomoya Hayashibara, Yuki Seto, Yutaro Taniguchi, Kazunobu Igawa, Katsuhiko Tomooka|2023|Chem.Commun.|59|11724|doi:10.1039/D3CC03023G
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: 10.5281/zenodo.8428480
title: Supplementary Data for Chaojie Yang's Dissertation

description: Supplementary Data for Chaojie Yang's Dissertation
DOI: 10.18739/a29p2w75x
title: Atmospheric methane interpolar difference, four-box troposphere modeled sources, Last Glacial Maximum and Deglaciation

description: This dataset includes estimates of the atmospheric methane relative interpolar difference (rIPD) across the Last Glacial Maximum and Deglaciation. The rIPD was calculated using discrete, high-resolution methane measurements from the WAIS Divide, NEEM and GISP2 ice cores. Two independent IPD records were determined: One using NEEM and WAIS and one using GISP2 and WAIS. The dataset includes rIPD values calculated using both Greenland methane data both corrected and uncorrected for excess methane (Lee et al., 2020). The rIPD was calculated by smoothing each methane record and synchronizing them to the WD2014 gas age scale. 1-sigma rIPD uncertainties are included. This dataset also includes the output of the four-box troposphere model used to interpret the rIPD. For both excess methane-corrected records, the model output and 1-sigma uncertainty is provided for northern extratropical (30N - 90N) and total tropical (30S - 30N) sources in Tg yr-1. For the NEEM-derived rIPD, sections of the rIPD where atmospheric methane changed rapidly were deemed untrustworthy were removed from the dataset. Lee, J. E. et al. Excess methane in Greenland ice cores associated with high dust concentrations. Geochimica et cosmochimica acta 270, 409-430 (2020).
DOI: 10.5281/zenodo.8428514
title: Iterative convergent computation may not be a useful inductive bias for residual neural networks

description: This repository contains the code and data necessary to reproduce the results and figures in "Iterative convergent computation may not be a useful inductive bias for residual neural networks".
DOI: 10.5281/zenodo.8428513
title: Iterative convergent computation may not be a useful inductive bias for residual neural networks

description: This repository contains the code and data necessary to reproduce the results and figures in "Iterative convergent computation may not be a useful inductive bias for residual neural networks".
DOI: 10.25345/c5pg1hz8j
title: MassIVE MSV000093075 - Catalytic core function of yeast Pah1 phosphatidate phosphatase reveals structural insight into its membrane localization and activity control
title: The PAH1-encoded phosphatidate (PA) phosphatase is a major source of DAG for the production of the storage lipid triacylglycerol, and a key regulator for the de novo phospholipid synthesis in Saccharomyces cerevisiae. The catalytic function of Pah1 depends on its membrane localization that is mediated through its phosphorylation by multiple protein kinases and dephosphorylation by the Nem1-Spo7 protein phosphatase complex. The full-length Pah1 is composed of a catalytic core (N-LIP and HAD-like domains, amphipathic helix, and the WRDPLVDID domain) and non-catalytic regulatory sequences (intrinsically disordered regions, RP domain, and acidic tail) for phosphorylation and interaction with Nem1-Spo7. In this work, we analyzed a variant of Pah1 (i.e., Pah1-BR) that is composed only of the catalytic core. Pah1-BR expressed on a low-copy plasmid was functional to complement the pah1D mutant phenotypes (e.g., nuclear/ER membrane expansion, reduced levels of triacylglycerol and lipid droplet formation) without requiring Nem1-Spo7. The cellular function of Pah1-BR was supported by its PA phosphatase activity mostly associated with the membrane fraction as well as by the nuclear/ER membrane localization of its GFP fusion. Although functional, Pah1-BR was distinct from Pah1 in the protein and enzymological properties, which include the overexpression toxicity, association with heat shock proteins, and significant reduction of the Vmax value. These findings on the Pah1 catalytic core enhance the understanding of its structural requirements for membrane localization and activity control.
DOI: 10.5519/qd.b5sivxm5
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (215 records)
DOI: 10.6084/m9.figshare.24282055
title: Share Prices Data.csv

description: This data contains the stock prices of companies on the Ghana Stock Exchange
DOI: 10.5281/zenodo.8428604
title: Reactions of N2O and CO on neutral Rh10On clusters: A Density Functional Study

description: Rh10Om structures , optimized using BP86/DZP and octet multiplity in AMS2021.
DOI: 10.5281/zenodo.8415657
title: ANI-2X test Dataset and PDB ligand molecule files

description: Collected dataset for ANI-2X/CG-BS performance testing and ligands in PDB bound conformation which could have multiconformations.
DOI: 10.5281/zenodo.8415656
title: ANI-2X test Dataset and PDB ligand molecule files

description: Collected dataset for ANI-2X/CG-BS performance testing and ligands in PDB bound conformation which could have multiconformations.
DOI: 10.6084/m9.figshare.22149617
title: Su et al. 2023 DATA

description: This dataset contains1) The model output CWV data of a temporal snapshot in Fig. 1.2) The processed data of a temporal snapshot of the distance of each column to the nearest moist cluster edge.3) The processed data of a temporal snapshot of CCS.4) GrADS plotting scripts that generate figures in this study.
DOI: 10.6084/m9.figshare.22149617.v1
title: Su et al. 2023 DATA

description: This dataset contains 1) The model output data of a temporal snapshot used in Fig. 1. 2) Fortran programs that compute vertical atmospheric profiles conditional sampled by column water vapor and the distance to the nearest convective system. 3) GrADS plotting scripts that generate figures in this study.
DOI: 10.5517/ccdc.csd.cc2bn0vw
title: CCDC 2164198: Experimental Crystal Structure Determination

description: Related Article: Eunyoung Park, Jiho Lee, Jeong-Han Kim, Joon-Kwan Moon|2023|Appl. Biol. Chem.|66|21|doi:10.1186/s13765-023-00770-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/ccdc.csd.cc2d6931
title: CCDC 2210582: Experimental Crystal Structure Determination

description: Related Article: Lan Jiang, Hui Li, Ruibing Lv, Jinxing Wang, Siwei Song, Nan Sun, Michael Gozin, Kangcai Wang, Qinghua Zhang|2023|Combust. Flame|257|113048|doi:10.1016/j.combustflame.2023.113048
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.cc2d8911
title: CCDC 2212502: Experimental Crystal Structure Determination

description: Related Article: A. K. Bauri, Foro Sabine, Foro, A. F. M. M. Rahman|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dfph1
title: CCDC 2217693: Experimental Crystal Structure Determination

description: Related Article: Bangxiong Kang, Lu Wang, Xihu Sun, Hongjian Liu, Zhonglin Wen, Yanwei Ren, Chaorong Qi, Huanfeng Jiang|2023|Org.Chem.Front.|10|5231|doi:10.1039/D3QO01176C
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.cc2dg7x1
title: CCDC 2218233: Experimental Crystal Structure Determination

description: Related Article: G. Risi, A. Prescimone, C.E. Housecroft, E.C. Constable|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dj6hn
title: CCDC 2220111: Experimental Crystal Structure Determination

description: Related Article: Marvin Sindlinger, Markus Ströbele, Jörg Grunenberg, Holger F. Bettinger|2023|Chemical Science|14|10478|doi:10.1039/D3SC03433J
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.cc2gfjk0
title: CCDC 2277122: Experimental Crystal Structure Determination

description: Related Article: Ying Lu, Wen-Zhu Yang, Xiu-Xia Ding, Si-Qi Nie, Zhan-Guo Jiang, Cai-Hong Zhan|2023|Dalton Trans.|52|13063|doi:10.1039/D3DT02653A
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.