cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc13znyp
title: CCDC 1042373: Experimental Crystal Structure Determination

description: Related Article: Ashley N. Dame, Mohan S. Bharara, Charles L. Barnes, Justin R. Walensky|2015|J.Coord.Chem.|68|3718|doi:10.1080/00958972.2015.1070953
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/cc1j56fb
title: CCDC 1405181: Experimental Crystal Structure Determination

description: Related Article: Gerard Tobin, Steve Comby, Nianyong Zhu, Rodolphe Clérac, Thorfinnur Gunnlaugsson, Wolfgang Schmitt|2015|Chem.Commun.|51|13313|doi:10.1039/C5CC04928H
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/cc1j56gc
title: CCDC 1405182: Experimental Crystal Structure Determination

description: Related Article: Michael Yanney, Frank R. Fronczek, Andrzej Sygula|2015|Angew.Chem.,Int.Ed.|54|11153|doi:10.1002/anie.201505327
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/cc1j56hd
title: CCDC 1405183: Experimental Crystal Structure Determination

description: Related Article: Michael Yanney, Frank R. Fronczek, Andrzej Sygula|2015|Angew.Chem.,Int.Ed.|54|11153|doi:10.1002/anie.201505327
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/cc1j56jf
title: CCDC 1405184: Experimental Crystal Structure Determination

description: Related Article: Marc Montesinos-Magraner, Carlos Vila, Gonzalo Blay, Isabel Fernández, M. Carmen Muñoz and José R. Pedro|2015|Adv.Synth.Catal.|357|3047|doi:10.1002/adsc.201500548
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: 10.17632/sgfwkhngfn
title: Mendeley Supplemental Material

description: This dataset includes supplemental methods, supplemental tables 1-6, and supplemental figures 1-7 for the original article: Development of Gene-Expression Panel Predictive of Local Recurrence, Metastasis, and Overall Survival in Intermediate to High-risk Cutaneous Squamous Cell Carcinoma: A Cohort Study in the Journal of the American Academy of Dermatology. The SupplementalMaterial.docx file contains all supplemental materials. The RNA Nanostring data are available in supplemental table 1 and can be accessed through the TableS1.xlsx file.

Mendeley Supplemental Table 1. Differentially expressed genes in 186 samples.
Mendeley Supplemental Table 2. Risk score comparison between metastasis and non-metastasis groups.
Mendeley Supplemental Table 3. Risk score comparison between local recurrence and non-local recurrence groups.
Mendeley Supplemental Table 4. Risk score by BWH tumor stage.
Mendeley Supplemental Table 5. Metastasis by Metastasis risk score with BWH staging.
Mendeley Supplemental Table 6. Multivariable Cox regression model summary for overall survival.
Mendeley Supplemental Figure 1. Gene panel data using Nanostring platform.
Mendeley Supplemental Figure 2. Volcano plot with all modeling-selected genes highlighted.
Mendeley Supplemental Figure 3. Model-predicted genes associated with Metastasis.
Mendeley Supplemental Figure 4. Receiver operating characteristic curve (ROC) for the risk score to predict local recurrence.
Mendeley Supplemental Figure 5. Overall Survival by Risk Groups with BWH staging.
Mendeley Supplemental Figure 6. Overall survival KM curves by risk scores (CXCL8, ZNF750, CDCA5, KRT2, ALOX12, ALDH3A2, DMD) in 3 groups (risk scores by (0,1), (2,3,4), (5,6)).
Mendeley Supplemental Figure 7. Heat map presenting calculated Pearson correlation coefficients using the genes’ normalized raw expression data.
DOI: 10.5517/cc1j56kg
title: CCDC 1405185: Experimental Crystal Structure Determination

description: Related Article: Péter Bagi, Kinga Juhász, István Timári, Katalin E. Kövér, Dávid Mester, Mihály Kállay, Miklós Kubinyi, Tibor Szilvási, Péter Pongrácz, László Kollár, Konstantin Karaghiosoff, Mátyás Czugler, László Drahos, Elemér Fogassy, György Keglevich|2015|J.Organomet.Chem.|797|140|doi:10.1016/j.jorganchem.2015.08.013
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/cc1j56zw
title: CCDC 1405198: Experimental Crystal Structure Determination

description: Related Article: Matthew J. Barrett, Paul W. Davies, Richard S. Grainger|2015|Org.Biomol.Chem.|13|8676|doi:10.1039/C5OB01241D
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/cc1j571z
title: CCDC 1405200: Experimental Crystal Structure Determination

description: Related Article: Alexander D. Sample, Robert L. LaDuca|2016|Inorg.Chim.Acta|443|198|doi:10.1016/j.ica.2016.01.007
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: 10.17632/sgfwkhngfn.1
title: Mendeley Supplemental Material

description: This dataset includes supplemental methods, supplemental tables 1-6, and supplemental figures 1-7 for the original article: Development of Gene-Expression Panel Predictive of Local Recurrence, Metastasis, and Overall Survival in Intermediate to High-risk Cutaneous Squamous Cell Carcinoma: A Cohort Study in the Journal of the American Academy of Dermatology. The SupplementalMaterial.docx file contains all supplemental materials. The RNA Nanostring data are available in supplemental table 1 and can be accessed through the TableS1.xlsx file.

Mendeley Supplemental Table 1. Differentially expressed genes in 186 samples.
Mendeley Supplemental Table 2. Risk score comparison between metastasis and non-metastasis groups.
Mendeley Supplemental Table 3. Risk score comparison between local recurrence and non-local recurrence groups.
Mendeley Supplemental Table 4. Risk score by BWH tumor stage.
Mendeley Supplemental Table 5. Metastasis by Metastasis risk score with BWH staging.
Mendeley Supplemental Table 6. Multivariable Cox regression model summary for overall survival.
Mendeley Supplemental Figure 1. Gene panel data using Nanostring platform.
Mendeley Supplemental Figure 2. Volcano plot with all modeling-selected genes highlighted.
Mendeley Supplemental Figure 3. Model-predicted genes associated with Metastasis.
Mendeley Supplemental Figure 4. Receiver operating characteristic curve (ROC) for the risk score to predict local recurrence.
Mendeley Supplemental Figure 5. Overall Survival by Risk Groups with BWH staging.
Mendeley Supplemental Figure 6. Overall survival KM curves by risk scores (CXCL8, ZNF750, CDCA5, KRT2, ALOX12, ALDH3A2, DMD) in 3 groups (risk scores by (0,1), (2,3,4), (5,6)).
Mendeley Supplemental Figure 7. Heat map presenting calculated Pearson correlation coefficients using the genes’ normalized raw expression data.
DOI: 10.5517/cc1j5720
title: CCDC 1405201: Experimental Crystal Structure Determination

description: Related Article: Alexander D. Sample, Robert L. LaDuca|2016|Inorg.Chim.Acta|443|198|doi:10.1016/j.ica.2016.01.007
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/cc1j5731
title: CCDC 1405202: Experimental Crystal Structure Determination

description: Related Article: Alexander D. Sample, Robert L. LaDuca|2016|Inorg.Chim.Acta|443|198|doi:10.1016/j.ica.2016.01.007
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/cc1j5742
title: CCDC 1405203: Experimental Crystal Structure Determination

description: Related Article: Dominik Lotter, Markus Neuburger, Michel Rickhaus, Daniel Häussinger, Christof Sparr|2016|Angew.Chem.,Int.Ed.|55|2920|doi:10.1002/anie.201510259
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/cc1j5753
title: CCDC 1405204: Experimental Crystal Structure Determination

description: Related Article: Dominik Lotter, Markus Neuburger, Michel Rickhaus, Daniel Häussinger, Christof Sparr|2016|Angew.Chem.,Int.Ed.|55|2920|doi:10.1002/anie.201510259
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/cc1j5764
title: CCDC 1405205: Experimental Crystal Structure Determination

description: Related Article: Dominik Lotter, Markus Neuburger, Michel Rickhaus, Daniel Häussinger, Christof Sparr|2016|Angew.Chem.,Int.Ed.|55|2920|doi:10.1002/anie.201510259
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/cc1j5775
title: CCDC 1405206: Experimental Crystal Structure Determination

description: Related Article: Dominik Lotter, Markus Neuburger, Michel Rickhaus, Daniel Häussinger, Christof Sparr|2016|Angew.Chem.,Int.Ed.|55|2920|doi:10.1002/anie.201510259
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/cc1j5786
title: CCDC 1405207: Experimental Crystal Structure Determination

description: Related Article: S.T. Hailu, R.J. Butcher, P.F. Hudrlik, A.M. Hudrlik|2015|Acta Crystallogr.,Sect.E:Cryst.Commun.|71|772|doi:10.1107/S2056989015010932
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.cc1j57hf
title: CCDC 1405214: Experimental Crystal Structure Determination

description: Related Article: Lipiao Bao, Muqing Chen, Wangqiang Shen, Changwang Pan, Kamran B. Ghiassi, Marilyn M. Olmstead, Alan L. Balch, Takeshi Akasaka, Xing Lu|2016|Inorg.Chem.|55|4075|doi:10.1021/acs.inorgchem.6b00631
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/cc1j57jg
title: CCDC 1405215: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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: 10.17632/454n8g5hzj
title: OTU Abundance (Tax) and Metal resistance genes chip
DOI: 10.5517/cc1j57kh
title: CCDC 1405216: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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/cc1j57lj
title: CCDC 1405217: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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.17422742
title: Acoustic printing of conductive polymers

description: Dataset associated with:

Acoustic printing of conductive polymers

Dataset notes: 

Each folder contains data associated with the corresponding figure. The NMR data in Fig. S1, S2, & S12 are Mnova files that can be opened with the MestReNova software. The UV-vis files from the kinetics experiments in Fig. 2a, 2b, S6, S7, S8, & S9 include a cycle number in the filename which corresponds to time in three minute increments.
DOI: 10.5281/zenodo.17422743
title: Acoustic printing of conductive polymers

description: Dataset associated with:

Acoustic printing of conductive polymers

Dataset notes: 

Each folder contains data associated with the corresponding figure. The NMR data in Fig. S1, S2, & S12 are Mnova files that can be opened with the MestReNova software. The UV-vis files from the kinetics experiments in Fig. 2a, 2b, S6, S7, S8, & S9 include a cycle number in the filename which corresponds to time in three minute increments.
DOI: 10.5517/cc1j57mk
title: CCDC 1405218: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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/cc1j57nl
title: CCDC 1405219: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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: 10.17632/454n8g5hzj.1
title: OTU Abundance (Tax) and Metal resistance genes chip
DOI: 10.5517/cc1j57pm
title: CCDC 1405220: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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/cc1j57qn
title: CCDC 1405221: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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/cc1j57rp
title: CCDC 1405222: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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/cc1j57sq
title: CCDC 1405223: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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/cc1j57tr
title: CCDC 1405224: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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/cc1j57vs
title: CCDC 1405225: Experimental Crystal Structure Determination

description: Related Article: Constance R. Pfeiffer, Kyle A. Feaster, Scott J. Dalgarno, Jerry L. Atwood|2016|CrystEngComm|18|222|doi:10.1039/C5CE01792K
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: 10.17632/drwvbzh39x
title: Thermoelectric Performance and Plasticity of N-type Mg3Bi2-based Materials by Rare Earth Elements Doping

description: The computational data for the paper entitled “Thermoelectric Performance and Plasticity of N-type Mg3Bi2-based Materials by Rare Earth Elements Doping”comprises four folders.
1.The first folder contains computational data for the phonon dispersion of La-doped. Since the results do not meet practical requirements, further calculations will not be pursued.
2.The second folder contains computational data (input and output files) for the thermoelectric and mechanical properties of Mg₃Bi₂.
a.The band folder contains computational data for the HSE functional and PBE functional.
b.The boltztrap folder contains data for calculating thermoelectric properties. It performs post-processing on the case.trace file data, categorizing it into P-type and N-type, to derive the relationships between S, σ/τ, κe, and PF as a function of n.
c.The dos folder contains computational data for the partial and total density of states.
d.The phonon folder contains computational data for the phonon dispersion, yielding the FORCE_CONSTANTS file used for shengbte calculations.
e.The shengbte folder contains computational data for the group velocity and Grüneisen parameter.
f.The t folder contains calculation data for relaxation time, including Elastic modulus, DP constant, and Effective mass, used to obtain accurate conductivity values.
g.The thirdorder folder documents the FORCE_CONSTANTS_3RD calculation process, utilized for shengbte computations.
h.The txcs folder holds data for calculating mechanical properties using the stress-energy method.
3.The third file contains computational data (input and output files) for the thermoelectric and mechanical properties of Sc-doped, with details as above.
4.The fourth folder contains computational data (input and output files) for the thermoelectric and mechanical properties of Y-doped, with details as above.