cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2by05h
title: CCDC 2172826: Experimental Crystal Structure Determination

description: Related Article: Natalia Prusinowska, Joanna Szymkowiak, Marcin Kwit|2022|J.Org.Chem.|88|285|doi:10.1021/acs.joc.2c02319
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.cc2c7r2g
title: CCDC 2182185: Experimental Crystal Structure Determination

description: Related Article: Xia Hao, Chensheng Lin, Ning Ye, Donghong Lin, Dan Zhao, Yuqiao Zhou, Enbo Shangguan, Min Luo|2022|Cryst.Growth Des.|23|362|doi:10.1021/acs.cgd.2c01050
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.cc27nyvq
title: CCDC 2075724: Experimental Crystal Structure Determination

description: Related Article: Ana Karina Seguin, Carlos Cruz, Katherine Villafuerte, Dayán Páez-Hernández, Diego Venegas-Yazigi, Verónica Paredes-García|2022|Cryst.Growth Des.|23|77|doi:10.1021/acs.cgd.2c00728
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.cc26pk4m
title: CCDC 2046500: Experimental Crystal Structure Determination

description: Related Article: Ana Karina Seguin, Carlos Cruz, Katherine Villafuerte, Dayán Páez-Hernández, Diego Venegas-Yazigi, Verónica Paredes-García|2022|Cryst.Growth Des.|23|77|doi:10.1021/acs.cgd.2c00728
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.cc2c8sdv
title: CCDC 2183187: Experimental Crystal Structure Determination

description: Related Article: Josué Vazquez-Chavez, Fátima C. Martínez-Torres, Armando Navarro-Huerta, Marcos Flores-Alamo, Mauricio Maldonado-Domínguez, Jan Blahut, Jakub Radek Štoček, Martin Dračínský, Braulio Rodríguez-Molina, Martín A. Iglesias-Arteaga|2022|J.Org.Chem.|88|49|doi:10.1021/acs.joc.2c01676
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.cc2c8sfw
title: CCDC 2183188: Experimental Crystal Structure Determination

description: Related Article: Josué Vazquez-Chavez, Fátima C. Martínez-Torres, Armando Navarro-Huerta, Marcos Flores-Alamo, Mauricio Maldonado-Domínguez, Jan Blahut, Jakub Radek Štoček, Martin Dračínský, Braulio Rodríguez-Molina, Martín A. Iglesias-Arteaga|2022|J.Org.Chem.|88|49|doi:10.1021/acs.joc.2c01676
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.cc2c8sgx
title: CCDC 2183189: Experimental Crystal Structure Determination

description: Related Article: Josué Vazquez-Chavez, Fátima C. Martínez-Torres, Armando Navarro-Huerta, Marcos Flores-Alamo, Mauricio Maldonado-Domínguez, Jan Blahut, Jakub Radek Štoček, Martin Dračínský, Braulio Rodríguez-Molina, Martín A. Iglesias-Arteaga|2022|J.Org.Chem.|88|49|doi:10.1021/acs.joc.2c01676
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.21903624
title: Responses of belowground bud banks and their relationships with aboveground vegetation to experimental drought along an aridity gradient in temperate grasslands

description: 1. Climate change is expected to increase the magnitude and frequency of extreme drought in most grassland ecosystems. Exploring the responses of the belowground bud banks and their relationships with aboveground plant parts to drought is of great significance in explaining impacts of climate change on grasslands. However, studies on the response patterns of community-scale bud and shoot densities and their ratios to experimental drought along an aridity gradient are rare. 2. We experimentally removed 66% of growing season precipitation for 4 years in three temperate grasslands that spanned an aridity gradient in northern China, and tracked the legacy effects of drought on community belowground bud density, community aboveground shoot density, and the ratio of bud to shoot density one year following treatment. 3. Belowground bud density was the lowest at the highest aridity site for the entire community, while aboveground shoot density was the highest at the medium aridity site. Belowground bud and aboveground shoot densities were the lowest at the high aridity site for grasses, but the highest for forbs at this site. Bud:shoot ratios decreased with increasing aridity for grasses, yet remained constant for forbs along the aridity gradient. Experimental drought reduced community belowground bud density a year following drought at each site. Experimental drought did not alter belowground bud bank for grasses, but decreased forb bud banks across sites. Experimental drought had little legacy effects on aboveground shoot density and bud:shoot ratios for the entire community or each functional type (grasses and forbs) at each site. 4. We found that grasses and forb bud banks differ in their responses to both multi-year drought and long-term climate patterns, and that community meristem limitation may increase as grasslands get drier. Bud bank responses to climate will likely alter future plant communities and functioning, and incorporating bud bank dynamics may improve projections of grassland ecosystems under future climate changes.
DOI: 10.6084/m9.figshare.21903627.v1
title: data.xlsx

description: The parameter of the test power network.
DOI: 10.6084/m9.figshare.21903627.v2
title: data.xlsx

description: The parameter of the test power network.
DOI: 10.6084/m9.figshare.21903627.v3
title: data.xlsx

description: The parameter of the test power network.
DOI: 10.6084/m9.figshare.21903627
title: The parameters of the test network

description: The parameter of the test power network.
DOI: 10.6084/m9.figshare.21903627.v4
title: data.xlsx

description: The parameter of the test power network.
DOI: 10.6084/m9.figshare.21903627.v5
title: The parameters of the test network

description: The parameter of the test power network.
DOI: 10.5517/ccdc.csd.cc2c8shy
title: CCDC 2183190: Experimental Crystal Structure Determination

description: Related Article: Josué Vazquez-Chavez, Fátima C. Martínez-Torres, Armando Navarro-Huerta, Marcos Flores-Alamo, Mauricio Maldonado-Domínguez, Jan Blahut, Jakub Radek Štoček, Martin Dračínský, Braulio Rodríguez-Molina, Martín A. Iglesias-Arteaga|2022|J.Org.Chem.|88|49|doi:10.1021/acs.joc.2c01676
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.cc2c8sjz
title: CCDC 2183191: Experimental Crystal Structure Determination

description: Related Article: Josué Vazquez-Chavez, Fátima C. Martínez-Torres, Armando Navarro-Huerta, Marcos Flores-Alamo, Mauricio Maldonado-Domínguez, Jan Blahut, Jakub Radek Štoček, Martin Dračínský, Braulio Rodríguez-Molina, Martín A. Iglesias-Arteaga|2022|J.Org.Chem.|88|49|doi:10.1021/acs.joc.2c01676
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.cc2c8sk0
title: CCDC 2183192: Experimental Crystal Structure Determination

description: Related Article: Josué Vazquez-Chavez, Fátima C. Martínez-Torres, Armando Navarro-Huerta, Marcos Flores-Alamo, Mauricio Maldonado-Domínguez, Jan Blahut, Jakub Radek Štoček, Martin Dračínský, Braulio Rodríguez-Molina, Martín A. Iglesias-Arteaga|2022|J.Org.Chem.|88|49|doi:10.1021/acs.joc.2c01676
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.cc2cq4v3
title: CCDC 2196035: Experimental Crystal Structure Determination

description: Related Article: Protap Biswas, Abhishek Dutta, Parthasarathi Dastidar|2022|Cryst.Growth Des.|23|342|doi:10.1021/acs.cgd.2c01041
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.cc2d4z5q
title: CCDC 2209313: Experimental Crystal Structure Determination

description: Related Article: Natalia S. Soldatova, Vitalii V. Suslonov, Daniil M. Ivanov, Mekhman S. Yusubov, Giuseppe Resnati, Pavel S. Postnikov, Vadim Yu. Kukushkin|2022|Cryst.Growth Des.|23|413|doi:10.1021/acs.cgd.2c01090
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.cc2d4z6r
title: CCDC 2209314: Experimental Crystal Structure Determination

description: Related Article: Natalia S. Soldatova, Vitalii V. Suslonov, Daniil M. Ivanov, Mekhman S. Yusubov, Giuseppe Resnati, Pavel S. Postnikov, Vadim Yu. Kukushkin|2022|Cryst.Growth Des.|23|413|doi:10.1021/acs.cgd.2c01090
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.cc2d4z7s
title: CCDC 2209315: Experimental Crystal Structure Determination

description: Related Article: Natalia S. Soldatova, Vitalii V. Suslonov, Daniil M. Ivanov, Mekhman S. Yusubov, Giuseppe Resnati, Pavel S. Postnikov, Vadim Yu. Kukushkin|2022|Cryst.Growth Des.|23|413|doi:10.1021/acs.cgd.2c01090
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.cc2d4z9v
title: CCDC 2209317: Experimental Crystal Structure Determination

description: Related Article: Natalia S. Soldatova, Vitalii V. Suslonov, Daniil M. Ivanov, Mekhman S. Yusubov, Giuseppe Resnati, Pavel S. Postnikov, Vadim Yu. Kukushkin|2022|Cryst.Growth Des.|23|413|doi:10.1021/acs.cgd.2c01090
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.cc2d4zbw
title: CCDC 2209318: Experimental Crystal Structure Determination

description: Related Article: Natalia S. Soldatova, Vitalii V. Suslonov, Daniil M. Ivanov, Mekhman S. Yusubov, Giuseppe Resnati, Pavel S. Postnikov, Vadim Yu. Kukushkin|2022|Cryst.Growth Des.|23|413|doi:10.1021/acs.cgd.2c01090
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.cc2d4zcx
title: CCDC 2209319: Experimental Crystal Structure Determination

description: Related Article: Natalia S. Soldatova, Vitalii V. Suslonov, Daniil M. Ivanov, Mekhman S. Yusubov, Giuseppe Resnati, Pavel S. Postnikov, Vadim Yu. Kukushkin|2022|Cryst.Growth Des.|23|413|doi:10.1021/acs.cgd.2c01090
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.cc2d4zdy
title: CCDC 2209320: Experimental Crystal Structure Determination

description: Related Article: Natalia S. Soldatova, Vitalii V. Suslonov, Daniil M. Ivanov, Mekhman S. Yusubov, Giuseppe Resnati, Pavel S. Postnikov, Vadim Yu. Kukushkin|2022|Cryst.Growth Des.|23|413|doi:10.1021/acs.cgd.2c01090
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.cc2d5nhr
title: CCDC 2209974: Experimental Crystal Structure Determination

description: Related Article: Xia Hao, Chensheng Lin, Ning Ye, Donghong Lin, Dan Zhao, Yuqiao Zhou, Enbo Shangguan, Min Luo|2022|Cryst.Growth Des.|23|362|doi:10.1021/acs.cgd.2c01050
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.cc2d74c5
title: CCDC 2211396: Experimental Crystal Structure Determination

description: Related Article: Helena Butkiewicz, Sandra Kosiorek, Volodymyr Sashuk, Magdalena M. Zimnicka, Oksana Danylyuk|2022|Cryst.Growth Des.|23|11|doi:10.1021/acs.cgd.2c01135
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.cc2d7493
title: CCDC 2211394: Experimental Crystal Structure Determination

description: Related Article: Helena Butkiewicz, Sandra Kosiorek, Volodymyr Sashuk, Magdalena M. Zimnicka, Oksana Danylyuk|2022|Cryst.Growth Des.|23|11|doi:10.1021/acs.cgd.2c01135
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: 10.5519/qd.7sctlg3y
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (821124 records)
DOI: 10.5519/qd.7iq7lsmm
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (942 records)
DOI: 10.5281/zenodo.4196842
title: Simulations of POPC membranes of various shapes

description: Simulations of POPC membranes in 1) <strong>budded</strong> shape with Gaussian curvature and 2) <strong>wave</strong> shape with mean curvature but no Gaussian curvature and with two wavelengths ("long" and "short"), and 3) a freely <strong>fluctuating</strong> membrane. Simulations were performed using GROMACS simulation engine (DOI: 10.1016/j.softx.2015.06.001 ) and the Martini 2 force field ( DOI:10.1021/jp071097f ). The budded and wavy geometries generated using BUMPy ( DOI: 10.1021/acs.jctc.8b00765 ) are maintained using restrained dummy particles that repel lipid acyl chains All input and output files are provided for each simulation, and the cpt files allow to extend the simulations. Additionally, topologies (in the TOP.tar archive) and simulation parameters (md.mdp) are provided. Some of the simulations have been used in DOI: 10.1101/2020.09.23.310086 and DOI: 10.26434/chemrxiv-2021-6wksn
DOI: 10.5281/zenodo.4196841
title: Simulations of POPC membranes of various shapes

description: Simulations of POPC membranes in 1) <strong>budded</strong> shape with Gaussian curvature and 2) <strong>wave</strong> shape with mean curvature but no Gaussian curvature and with two wavelengths ("long" and "short"), and 3) a freely <strong>fluctuating</strong> membrane. Simulations were performed using GROMACS simulation engine (DOI: 10.1016/j.softx.2015.06.001 ) and the Martini 2 force field ( DOI:10.1021/jp071097f ). The budded and wavy geometries generated using BUMPy ( DOI: 10.1021/acs.jctc.8b00765 ) are maintained using restrained dummy particles that repel lipid acyl chains All input and output files are provided for each simulation, and the cpt files allow to extend the simulations. Additionally, topologies (in the TOP.tar archive) and simulation parameters (md.mdp) are provided. Some of the simulations have been used in DOI: 10.1101/2020.09.23.310086 and DOI: 10.26434/chemrxiv-2021-6wksn
DOI: 10.25430/researchdata.cab.unipd.it.00000810
title: Development of an in vitro neuroblastoma 3D model and its application for sterigmatocystin-induced cytotoxicity testing

description: Image analysis data for publication
DOI: 10.5281/zenodo.7540093
title: Giraffe kimberlite pipe core GDGT fractional abundance

description: Database for the fractional abundances of GDGTs present in the Giraffe kimberlite pipe core (paleolatitude ~63o N). Dataset contains depth, in vertical-equivalent meters, of each sample, as well as the fractional abundance of each of the analyzed lipids. This is part of the Martínez-Sosa, et al., <em>in prep</em> manuscript.
DOI: 10.5281/zenodo.4413618
title: Ternary lipid composition in a curved geometry

description: Simulations of ternary DLiPC/DPPC/cholesterol membranes in a budded geometry with Gaussian curvature. Five replicas. Simulations were performed using GROMACS simulation engine (DOI: 10.1016/j.softx.2015.06.001 ) and the Martini 2 force field ( DOI:10.1021/jp071097f ). The geometries, generated using BUMPy ( DOI: 10.1021/acs.jctc.8b00765 ), are maintained using restrained dummy particles that repel lipid acyl chains All input and output files are provided for each simulation, and the cpt files allow to extend the simulations. The top, itp (in TOP.tar archive), mdp, and ndx files are common for each simulation. The simulations have been used in DOI: 10.1101/2020.09.23.310086.
DOI: 10.5281/zenodo.4413619
title: Ternary lipid composition in a curved geometry

description: To be written...
DOI: 10.5281/zenodo.4445375
title: Ternary lipid composition in a curved geometry

description: Simulations of ternary DLiPC/DPPC/cholesterol membranes in a budded geometry with Gaussian curvature. Five replicas. Simulations were performed using GROMACS simulation engine (DOI: 10.1016/j.softx.2015.06.001 ) and the Martini 2 force field ( DOI:10.1021/jp071097f ). The geometries, generated using BUMPy ( DOI: 10.1021/acs.jctc.8b00765 ), are maintained using restrained dummy particles that repel lipid acyl chains All input and output files are provided for each simulation, and the cpt files allow to extend the simulations. The top, itp (in TOP.tar archive), mdp, and ndx files are common for each simulation. The simulations have been used in DOI: 10.1101/2020.09.23.310086.
DOI: 10.21227/enay-qt85
title: MATLAB_files_to_generate_plots_doubleIRS

description: A single-user cellular communication system between a base station (BS) and a mobile user equipment (UE), assisted by intelligent reflecting surfaces is considered. The goal is to estimate the individual channels, i.e., BS-IRS-2, IRS-2-IRS-1 and UE-IRS-1. We propose a two-phase channel estimation (CE) algorithm wherein the BS-IRS-2 and IRS-1-IRS-2 channels are estimated simultaneously by utilizing the sparsity offered by mmWave channels in phase-1. In phase-2, in order to track the time-varying channel UE-IRS-1, we consider a channel model involving dynamic sparsity, and estimate it by using the dynamic turbo orthogonal approximate message passing (D-TOAMP) and dynamic compressive sensing AMP (DCS-AMP). Alternatively, we use Kalman-like filter (KLF) followed by Kalman filter (KF) to track UE-IRS-1 channel. Numerical results of phase-1 and phase-2 (for D-TOAMP, DCS-AMP) demonstrate the performance of our CE algorithm for double IRS assisted communication in terms of estimation error, computation time, and also provide a guideline for the choice of the appropriate version of the algorithm in each phase. Also, simulations of phase-2 (under KLF, KF) demonstrate the efficacy of our proposed KLF-KF algorithm over the Unscented Kalman filter (UKF)-KF in terms of estimation error. Finally, simulations show that D-TOAMP performs better than all other algorithms under consideration.
DOI: 10.5281/zenodo.6962517
title: Fast Modelling of Vegetated Flow and Sediment Transport over Mobile Beds Using Shallow Water Equations with Anisotropic Porosity

description: The data are the numerical solutions and errors in different cases by the present model.