cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1nvn05
title: CCDC 1544947: Experimental Crystal Structure Determination

description: Related Article: Hyo Jin Jang, Samantha L. Hopkins, Maxime A. Siegler, Sylvestre Bonnet|2017|Dalton Trans.|46|9969|doi:10.1039/C7DT01540B
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.cc1nvn16
title: CCDC 1544948: Experimental Crystal Structure Determination

description: Related Article: Hyo Jin Jang, Samantha L. Hopkins, Maxime A. Siegler, Sylvestre Bonnet|2017|Dalton Trans.|46|9969|doi:10.1039/C7DT01540B
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.cc1nvn27
title: CCDC 1544949: Experimental Crystal Structure Determination

description: Related Article: Hyo Jin Jang, Samantha L. Hopkins, Maxime A. Siegler, Sylvestre Bonnet|2017|Dalton Trans.|46|9969|doi:10.1039/C7DT01540B
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.cc1nvn38
title: CCDC 1544950: Experimental Crystal Structure Determination

description: Related Article: Hyo Jin Jang, Samantha L. Hopkins, Maxime A. Siegler, Sylvestre Bonnet|2017|Dalton Trans.|46|9969|doi:10.1039/C7DT01540B
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.cc1nvn49
title: CCDC 1544951: Experimental Crystal Structure Determination

description: Related Article: B. Sridhar, J.B. Nanubolu, K. Ravikumar, G. Karthik, B.V.S. Reddy|2017|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|73|407|doi:10.1107/S2053229617005940
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.cc1nvn5b
title: CCDC 1544952: Experimental Crystal Structure Determination

description: Related Article: B. Sridhar, J.B. Nanubolu, K. Ravikumar, G. Karthik, B.V.S. Reddy|2017|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|73|407|doi:10.1107/S2053229617005940
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.cc1jz5zn
title: CCDC 1429192: Experimental Crystal Structure Determination

description: Related Article: Michelle Bezanson,  Anna Tomberg,  Nicolas Moitessier|2017|J.Org.Chem.|82|2579|doi:10.1021/acs.joc.6b02999
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.cc1nvn6c
title: CCDC 1544953: Experimental Crystal Structure Determination

description: Related Article: B. Sridhar, J.B. Nanubolu, K. Ravikumar, G. Karthik, B.V.S. Reddy|2017|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|73|407|doi:10.1107/S2053229617005940
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.cc1jz60q
title: CCDC 1429193: Experimental Crystal Structure Determination

description: Related Article: Michelle Bezanson,  Anna Tomberg,  Nicolas Moitessier|2017|J.Org.Chem.|82|2579|doi:10.1021/acs.joc.6b02999
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.cc1nmm85
title: CCDC 1538197: Experimental Crystal Structure Determination

description: Related Article: Kirsten Reuter, Stefan S. Rudel, Magnus R. Buchner, Florian Kraus, Carsten von Hänisch|2017|Chem.-Eur.J.|23|9607|doi:10.1002/chem.201701174
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.cc1nvn8f
title: CCDC 1544955: Experimental Crystal Structure Determination

description: Related Article: Raja Nandhini, Madhan Ramesh, Ganesan Prabusankar, Galmari Venkatachalam|2017|Inorg.Chem.Commun.|85|84|doi:10.1016/j.inoche.2017.06.027
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.16735631
title: Synthetically generated foam CT dataset

description: This dataset was used in a paper currently under review. It consists of synthetically generated computed tomography (CT) data of foam cylinders.

The foam_ct library [1] was used to generate random cylinders of foam and to discretize them into ground-truth volume data and noise-free projection data. 20 cylinders were generated: 2 were used for testing, 2 were used for validation, and the remaining 16 were used for training. Each cylinder was discretized into a volume of 256 slices of 256 × 256 pixels. Moreover, for each slice, 512 projections of width 384 were generated over a range of 180° in a parallel beam geometry.

The subfolders contain the following data:



"h5" contains a continuous representation of the foam cylinder

"vol" contains ground-truth volumes

"proj" contains noise-free projection data

"proj_poisson500_gaus50" contains the same projection data as in "proj", but with added Poisson + Gaussian noise with a photon count of 500, and a Gaussian variance of 50

"proj_blurred_poisson500_gaus50" contains the same projection data as in "proj", but with simulated scintillator blurring and noise. After adding Poisson noise (with photon count 500), the images were blurred with a Gaussian blur kernel with sigma=0.8. After that, Gaussian noise was added (with variance 50).

"proj_blurred_poisson500_gaus50_ref" and "proj_poisson500_gaus50_ref" contain 1024 noise realizations of the first image of the training set (image 1024), with and without scintillator blurring, respectively. These images can be used as calibration measurements for estimating noise model parameters.


 

References

[1] Pelt, D. M., Hendriksen, A. A., & Batenburg, K. J. (2022). Foam-like phantoms for comparing tomography algorithms. Journal of Synchrotron Radiation, 29(1), 254-265.
DOI: 10.5281/zenodo.16735632
title: Synthetically generated foam CT dataset

description: This dataset was used in a paper currently under review. It consists of synthetically generated computed tomography (CT) data of foam cylinders.

The foam_ct library [1] was used to generate random cylinders of foam and to discretize them into ground-truth volume data and noise-free projection data. 20 cylinders were generated: 2 were used for testing, 2 were used for validation, and the remaining 16 were used for training. Each cylinder was discretized into a volume of 256 slices of 256 × 256 pixels. Moreover, for each slice, 512 projections of width 384 were generated over a range of 180° in a parallel beam geometry.

The subfolders contain the following data:



"h5" contains a continuous representation of the foam cylinder

"vol" contains ground-truth volumes

"proj" contains noise-free projection data

"proj_poisson500_gaus50" contains the same projection data as in "proj", but with added Poisson + Gaussian noise with a photon count of 500, and a Gaussian variance of 50

"proj_blurred_poisson500_gaus50" contains the same projection data as in "proj", but with simulated scintillator blurring and noise. After adding Poisson noise (with photon count 500), the images were blurred with a Gaussian blur kernel with sigma=0.8. After that, Gaussian noise was added (with variance 50).

"proj_blurred_poisson500_gaus50_ref" and "proj_poisson500_gaus50_ref" contain 1024 noise realizations of the first image of the training set (image 1024), with and without scintillator blurring, respectively. These images can be used as calibration measurements for estimating noise model parameters.


 

References

[1] Pelt, D. M., Hendriksen, A. A., & Batenburg, K. J. (2022). Foam-like phantoms for comparing tomography algorithms. Journal of Synchrotron Radiation, 29(1), 254-265.
DOI: 10.5517/ccdc.csd.cc1nmmb7
title: CCDC 1538199: Experimental Crystal Structure Determination

description: Related Article: Kirsten Reuter, Stefan S. Rudel, Magnus R. Buchner, Florian Kraus, Carsten von Hänisch|2017|Chem.-Eur.J.|23|9607|doi:10.1002/chem.201701174
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.cc1nmmd9
title: CCDC 1538201: Experimental Crystal Structure Determination

description: Related Article: Kirsten Reuter, Stefan S. Rudel, Magnus R. Buchner, Florian Kraus, Carsten von Hänisch|2017|Chem.-Eur.J.|23|9607|doi:10.1002/chem.201701174
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: 10.17632/2bh2nd2mhv
title: Effects of Arbuscular Mycorrhizal Fungi and Metal-Tolerant Pseudomonas fluorescens on Mitigating Cadmium and Zinc Stress in Tomato

description: Heavy metal (HM) contamination in agricultural soils poses a significant threat to soil health and plant productivity. This study investigates the impact of cadmium (Cd) and zinc (Zn) stress on tomato plants (Solanum lycopersicum) and explores the mitigation potential of microbial biostimulants (MBs), including arbuscular mycorrhizal fungi (AMF) and Pseudomonas fluorescens So_08 (PGPR), over a 52-day period using multi-omics ap-proaches. Root exudate profiling revealed distinct metabolic changes under HM stress, which compromised soil-plant interactions. Cd stress reduced the secretion of phe-nylpropanoids (sum LogFC: -45.18), lipids (sum LogFC: -27.67), and isoprenoids (sum LogFC: -11-67), key metabolites in antioxidative defense, while also suppressing rhi-zosphere fungal populations. Conversely, Zn stress enhanced lipid exudation (such as sphingolipids and sterols, as sum LogFC of 8,72 and 9.99, respectively) to maintain membrane integrity and reshaped rhizobacterial communities. The MBs application mitigated HM-induced stress by enhancing specialized metabolite syntheses, including cinnamic acids, terpenoids, and flavonoids, which promoted crop resilience. MBs also reshaped microbial diversity, fostering beneficial species like Portibacter spp., Alkalitalea saponilacus under Cd stress, and stimulating rhizobacteria like Aggregatilinea spp. under Zn stress. Specifically, under Cd stress, bacterial diversity remained relatively stable, suggesting their resilience to Cd. However, fungal communities exhibited greater sen-sitivity, with a decline in diversity in Cd-treated soils and partial recovery when MBs were applied. Conversely, Zn stress caused decline in bacterial α-diversity, while fungal diversity was maintained, indicating that Zn acts as an ecological filter that suppresses sensitive bacterial taxa and favors Zn-tolerant fungal species. Multi-omics data integration combined with network analysis highlighted key features associated with improved nutrient availability and reduced HM toxicity under MB treatments, including metabo-lites and microbial taxa linked to sulfur cycling, nitrogen metabolism, and iron reduction pathways. These findings demonstrate that MBs can modulate plant metabolic responses and restore rhizosphere microbial communities under Cd and Zn stress, with PGPR showing broader metabolomic recovery effects and AMF influencing specific metabolite pathways. This study provides new insights into plant-microbe interactions in HM-contaminated environments, supporting the potential application of biostimulants for sustainable soil remediation and plant health improvement.
Version 2: The data was changed based on reviewer request
DOI: 10.5517/ccdc.csd.cc1nmm96
title: CCDC 1538198: Experimental Crystal Structure Determination

description: Related Article: Kirsten Reuter, Stefan S. Rudel, Magnus R. Buchner, Florian Kraus, Carsten von Hänisch|2017|Chem.-Eur.J.|23|9607|doi:10.1002/chem.201701174
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: 10.48577/jpl.hjvhjc
title: [FLOAT] NIAC Symposium 2025 (Poster)

description: No abstract available.
DOI: 10.5517/ccdc.csd.cc1nmmc8
title: CCDC 1538200: Experimental Crystal Structure Determination

description: Related Article: Kirsten Reuter, Stefan S. Rudel, Magnus R. Buchner, Florian Kraus, Carsten von Hänisch|2017|Chem.-Eur.J.|23|9607|doi:10.1002/chem.201701174
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.cc1nmmfb
title: CCDC 1538202: Experimental Crystal Structure Determination

description: Related Article: Kirsten Reuter, Stefan S. Rudel, Magnus R. Buchner, Florian Kraus, Carsten von Hänisch|2017|Chem.-Eur.J.|23|9607|doi:10.1002/chem.201701174
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: 10.17632/2bh2nd2mhv.2
title: Effects of Arbuscular Mycorrhizal Fungi and Metal-Tolerant Pseudomonas fluorescens on Mitigating Cadmium and Zinc Stress in Tomato

description: Heavy metal (HM) contamination in agricultural soils poses a significant threat to soil health and plant productivity. This study investigates the impact of cadmium (Cd) and zinc (Zn) stress on tomato plants (Solanum lycopersicum) and explores the mitigation potential of microbial biostimulants (MBs), including arbuscular mycorrhizal fungi (AMF) and Pseudomonas fluorescens So_08 (PGPR), over a 52-day period using multi-omics ap-proaches. Root exudate profiling revealed distinct metabolic changes under HM stress, which compromised soil-plant interactions. Cd stress reduced the secretion of phe-nylpropanoids (sum LogFC: -45.18), lipids (sum LogFC: -27.67), and isoprenoids (sum LogFC: -11-67), key metabolites in antioxidative defense, while also suppressing rhi-zosphere fungal populations. Conversely, Zn stress enhanced lipid exudation (such as sphingolipids and sterols, as sum LogFC of 8,72 and 9.99, respectively) to maintain membrane integrity and reshaped rhizobacterial communities. The MBs application mitigated HM-induced stress by enhancing specialized metabolite syntheses, including cinnamic acids, terpenoids, and flavonoids, which promoted crop resilience. MBs also reshaped microbial diversity, fostering beneficial species like Portibacter spp., Alkalitalea saponilacus under Cd stress, and stimulating rhizobacteria like Aggregatilinea spp. under Zn stress. Specifically, under Cd stress, bacterial diversity remained relatively stable, suggesting their resilience to Cd. However, fungal communities exhibited greater sen-sitivity, with a decline in diversity in Cd-treated soils and partial recovery when MBs were applied. Conversely, Zn stress caused decline in bacterial α-diversity, while fungal diversity was maintained, indicating that Zn acts as an ecological filter that suppresses sensitive bacterial taxa and favors Zn-tolerant fungal species. Multi-omics data integration combined with network analysis highlighted key features associated with improved nutrient availability and reduced HM toxicity under MB treatments, including metabo-lites and microbial taxa linked to sulfur cycling, nitrogen metabolism, and iron reduction pathways. These findings demonstrate that MBs can modulate plant metabolic responses and restore rhizosphere microbial communities under Cd and Zn stress, with PGPR showing broader metabolomic recovery effects and AMF influencing specific metabolite pathways. This study provides new insights into plant-microbe interactions in HM-contaminated environments, supporting the potential application of biostimulants for sustainable soil remediation and plant health improvement.
Version 2: The data was changed based on reviewer request
DOI: 10.5517/ccdc.csd.cc1nvn9g
title: CCDC 1544956: Experimental Crystal Structure Determination

description: Related Article: Harry Adams, Yvonne K. Booth, Elizabeth S. Cook, Sarah Riley, Michael J. Morris|2017|Organometallics|36|2254|doi:10.1021/acs.organomet.7b00300
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.cc1nvnbh
title: CCDC 1544957: Experimental Crystal Structure Determination

description: Related Article: Harry Adams, Yvonne K. Booth, Elizabeth S. Cook, Sarah Riley, Michael J. Morris|2017|Organometallics|36|2254|doi:10.1021/acs.organomet.7b00300
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.cc1nvnfl
title: CCDC 1544960: Experimental Crystal Structure Determination

description: Related Article: Qi Chen, Amber Davidson|2017|Bioorg.Med.Chem.Lett.|27|4436|doi:10.1016/j.bmcl.2017.08.009
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.cc1nvngm
title: CCDC 1544961: Experimental Crystal Structure Determination

description: Related Article: Qi Chen, Amber Davidson|2017|Bioorg.Med.Chem.Lett.|27|4436|doi:10.1016/j.bmcl.2017.08.009
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.cc1nvnjp
title: CCDC 1544963: Experimental Crystal Structure Determination

description: Related Article: Anthony P. Silvestri,  Philip A. Cistrone and Philip E. Dawson|2017|Angew.Chem.,Int.Ed.|56|10438|doi:10.1002/anie.201705065
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.cc1nvt4g
title: CCDC 1545106: Experimental Crystal Structure Determination

description: Related Article: R. F. D'Vries, R. Moreno-Fuquen, I. Camps, A. P. Ayala, A. R. Kennedy, E. W. Reinheimer, J. Ellena|2017|CrystEngComm|19|3753|doi:10.1039/C7CE00835J
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.cc1nvt5h
title: CCDC 1545107: Experimental Crystal Structure Determination

description: Related Article: R. F. D'Vries, R. Moreno-Fuquen, I. Camps, A. P. Ayala, A. R. Kennedy, E. W. Reinheimer, J. Ellena|2017|CrystEngComm|19|3753|doi:10.1039/C7CE00835J
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.