cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.20097608
title: Recent Developments on Palladium-Catalyzed Carbonylation Reactions in Renewable Solvents

description: Palladium-catalyzed carbonylation reaction has surfaced as a robust tool for insertion of the carbonyl group into organic molecules, and in the last decades enormous progress has been made. Nowadays, a plethora of methodologies is available to synthesize all kinds of carbonyl compounds. However, the focus has shifted during recent years to address rising concerns related to developing safe, cost-efficient, and more sustainable methodologies. The use of different carbon monoxide (CO) precursors/sources, avoiding handling of highly toxic and flammable gaseous carbon monoxide, and substituting nonrenewable solvents for those derived from renewable feedstock have contributed to aim these goals. In this review, we will discuss the advent of the application of renewable solvents to improve the sustainability and environmentally benign nature of Pd catalyzed carbonylation reactions.
DOI: 10.6084/m9.figshare.20097608.v1
title: Recent Developments on Palladium-Catalyzed Carbonylation Reactions in Renewable Solvents

description: Palladium-catalyzed carbonylation reaction has surfaced as a robust tool for insertion of the carbonyl group into organic molecules, and in the last decades enormous progress has been made. Nowadays, a plethora of methodologies is available to synthesize all kinds of carbonyl compounds. However, the focus has shifted during recent years to address rising concerns related to developing safe, cost-efficient, and more sustainable methodologies. The use of different carbon monoxide (CO) precursors/sources, avoiding handling of highly toxic and flammable gaseous carbon monoxide, and substituting nonrenewable solvents for those derived from renewable feedstock have contributed to aim these goals. In this review, we will discuss the advent of the application of renewable solvents to improve the sustainability and environmentally benign nature of Pd catalyzed carbonylation reactions.
DOI: 10.34740/kaggle/dsv/3823264
title: AutoXGB
DOI: 10.6084/m9.figshare.20097614
title: Data_Excelfile.xlsx

description: The data from the selected publications were extracted to assess the comprehensiveness and meet the study objectives which have been subsequently classified and entered into a spreadsheet.
DOI: 10.5517/ccdc.csd.cc25141f
title: CCDC 1997083: Experimental Crystal Structure Determination

description: Related Article: Fernando R.G. Bergamini, Julia H.B. Nunes, Carlos Marrote Manzano, Marcos Alberto de Carvalho, Marcos Antônio Ribeiro, Ana Lucia Tasca Gois Ruiz, João Ernesto de Carvalho, Wilton Rogério Lustri, Raphael Enoque Ferraz de Paiva, Marcelo Cecconi Portes, Ana Maria da Costa Ferreira, Pedro Paulo Corbi|2022|J.Inorg.Biochem.|234|111881|doi:10.1016/j.jinorgbio.2022.111881
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.cc285s2b
title: CCDC 2090921: Experimental Crystal Structure Determination

description: Related Article: Pavankumar Prabhala, Suraj M. Sutar, M.R. Manjunatha, Geeta M. Pawashe, Vivek K. Gupta, Lohit Naik, Rajesh G. Kalkhambkar|2022|J.Mol.Liq.|360|119520|doi:10.1016/j.molliq.2022.119520
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.cc285s3c
title: CCDC 2090922: Experimental Crystal Structure Determination

description: Related Article: Pavankumar Prabhala, Suraj M. Sutar, M.R. Manjunatha, Geeta M. Pawashe, Vivek K. Gupta, Lohit Naik, Rajesh G. Kalkhambkar|2022|J.Mol.Liq.|360|119520|doi:10.1016/j.molliq.2022.119520
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.cc28ml6q
title: CCDC 2104193: Experimental Crystal Structure Determination

description: Related Article: Fabiola A. López-Huerta, María Teresa Ramírez-Apan, Carlos A. Méndez-Cuesta, Antonio Nieto-Camacho, Simón Hernández-Ortega, Ericka K.P. Almeida-Aguirre, Marco A. Cerbón, Guillermo Delgado|2022|Bioorg.Chem.|125|105924|doi:10.1016/j.bioorg.2022.105924
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.cc29w65l
title: CCDC 2141299: Experimental Crystal Structure Determination

description: Related Article: Lingkai Kong, Wenyue Tian, Zhiyan Liu, Ting Xu, Haoyue Wen, Zihan Chen, Jin Gao, Li-Ping Bai|2022|J.Org.Chem.|87|7955|doi:10.1021/acs.joc.2c00598
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.cc29w68p
title: CCDC 2141302: Experimental Crystal Structure Determination

description: Related Article: Lingkai Kong, Wenyue Tian, Zhiyan Liu, Ting Xu, Haoyue Wen, Zihan Chen, Jin Gao, Li-Ping Bai|2022|J.Org.Chem.|87|7955|doi:10.1021/acs.joc.2c00598
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.cc2b5gww
title: CCDC 2150218: Experimental Crystal Structure Determination

description: Related Article: Joshua J. Clarke, Kevin Basemann, Neyen Romano, Stephen J. Lee, Michel R. Gagné|2022|Org.Lett.|24|4135|doi:10.1021/acs.orglett.2c01243
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.cc2b831s
title: CCDC 2152734: Experimental Crystal Structure Determination

description: Related Article: Guang-Jin Shi, Yue-Dong Wang, Zhen-Xing Yu, Qi Zhang, Shaojin Chen, Liang-Zhong Xu, Kun-Peng Wang, Zhi-Qiang Hu|2022|Dyes Pigm.|204|110471|doi:10.1016/j.dyepig.2022.110471
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.cc2b9cgh
title: CCDC 2153956: Experimental Crystal Structure Determination

description: Related Article: Jianli Wang, Jing Liang, Yuchen Lin, Kejin Shao, Xue Chang, Lijuan Qian, Zhan Li, Peizhuo Hu|2022|Chem.Eng.Journal|446|137368|doi:10.1016/j.cej.2022.137368
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.cc2bbf48
title: CCDC 2154969: Experimental Crystal Structure Determination

description: Related Article: Xiao-Hong Li, Jin-Long Yan, Wei-Na Wu, Xiao-Lei Zhao, Yuan Wang, Yun-Chang Fan, Zhi-Hong Xu|2022|Microchemical Journal|181|107653|doi:10.1016/j.microc.2022.107653
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.cc2bdwf2
title: CCDC 2157334: Experimental Crystal Structure Determination

description: Related Article: Kyle D. Spielvogel, Gummadi Durgaprasad, Scott R. Daly|2022|Organometallics|41|1344|doi:10.1021/acs.organomet.2c00121
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.cc2bdwg3
title: CCDC 2157335: Experimental Crystal Structure Determination

description: Related Article: Kyle D. Spielvogel, Gummadi Durgaprasad, Scott R. Daly|2022|Organometallics|41|1344|doi:10.1021/acs.organomet.2c00121
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.cc2bdwh4
title: CCDC 2157336: Experimental Crystal Structure Determination

description: Related Article: Kyle D. Spielvogel, Gummadi Durgaprasad, Scott R. Daly|2022|Organometallics|41|1344|doi:10.1021/acs.organomet.2c00121
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.cc2bdwj5
title: CCDC 2157337: Experimental Crystal Structure Determination

description: Related Article: Kyle D. Spielvogel, Gummadi Durgaprasad, Scott R. Daly|2022|Organometallics|41|1344|doi:10.1021/acs.organomet.2c00121
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.cc2bdwk6
title: CCDC 2157338: Experimental Crystal Structure Determination

description: Related Article: Kyle D. Spielvogel, Gummadi Durgaprasad, Scott R. Daly|2022|Organometallics|41|1344|doi:10.1021/acs.organomet.2c00121
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.cc2bdwl7
title: CCDC 2157339: Experimental Crystal Structure Determination

description: Related Article: Kyle D. Spielvogel, Gummadi Durgaprasad, Scott R. Daly|2022|Organometallics|41|1344|doi:10.1021/acs.organomet.2c00121
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.cc2bdwm8
title: CCDC 2157340: Experimental Crystal Structure Determination

description: Related Article: Kyle D. Spielvogel, Gummadi Durgaprasad, Scott R. Daly|2022|Organometallics|41|1344|doi:10.1021/acs.organomet.2c00121
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.cc2bj7dj
title: CCDC 2160557: Experimental Crystal Structure Determination

description: Related Article: Hsuan-Jung Tseng, Liang-Mou Kuo, Po-Jen Chen, Shun-Hua Chen, Chia-Jung Liu, Su-Ying Chien, Yu-Chi Tsai, Yu-Jen Wu, Tzu-Rong Su, Ping-Jyun Sung|2022|Tetrahedron|119|132851|doi:10.1016/j.tet.2022.132851
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.cc2bkdr2
title: CCDC 2161684: Experimental Crystal Structure Determination

description: Related Article: Micha Tryniszewski, Dariusz Basiak, Micha Barbasiewicz|2022|Org.Lett.|24|4270|doi:10.1021/acs.orglett.2c01604
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.cc2bkmq8
title: CCDC 2161900: Experimental Crystal Structure Determination

description: Related Article: Su-Yeon Kim, Seokwoo Kang, Byung Hak Jhun, Min-Woo Choi, Hayoon Lee, In-Su Jin, Jae-Woong Jung, Jongwook Park, Soo Young Park|2022|Dyes Pigm.|204|110465|doi:10.1016/j.dyepig.2022.110465
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.cc2bkmr9
title: CCDC 2161901: Experimental Crystal Structure Determination

description: Related Article: Su-Yeon Kim, Seokwoo Kang, Byung Hak Jhun, Min-Woo Choi, Hayoon Lee, In-Su Jin, Jae-Woong Jung, Jongwook Park, Soo Young Park|2022|Dyes Pigm.|204|110465|doi:10.1016/j.dyepig.2022.110465
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.cc2bkmsb
title: CCDC 2161902: Experimental Crystal Structure Determination

description: Related Article: Su-Yeon Kim, Seokwoo Kang, Byung Hak Jhun, Min-Woo Choi, Hayoon Lee, In-Su Jin, Jae-Woong Jung, Jongwook Park, Soo Young Park|2022|Dyes Pigm.|204|110465|doi:10.1016/j.dyepig.2022.110465
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.cc2bpd8q
title: CCDC 2165513: Experimental Crystal Structure Determination

description: Related Article: Zhineng Qing, Peng Mao, Tie Wang, Hongbin Zhai|2022|J.Am.Chem.Soc.|144|10640|doi:10.1021/jacs.2c03978
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.cc2bpd9r
title: CCDC 2165514: Experimental Crystal Structure Determination

description: Related Article: Zhineng Qing, Peng Mao, Tie Wang, Hongbin Zhai|2022|J.Am.Chem.Soc.|144|10640|doi:10.1021/jacs.2c03978
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.cc2btvst
title: CCDC 2169807: Experimental Crystal Structure Determination

description: Related Article: David R. Manke, James A. Golen, Cary R. Stennett, Marilyn Naeem, Diego R. Javier-Jimenez, Philip P. Power|2022|Polyhedron|222|115947|doi:10.1016/j.poly.2022.115947
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.cc2btvtv
title: CCDC 2169808: Experimental Crystal Structure Determination

description: Related Article: David R. Manke, James A. Golen, Cary R. Stennett, Marilyn Naeem, Diego R. Javier-Jimenez, Philip P. Power|2022|Polyhedron|222|115947|doi:10.1016/j.poly.2022.115947
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.6659352
title: Generic solving of a multi-compartment physiologically-based kinetic model

description: This repository makes available supplementary material related to a scientific paper in progress.
DOI: 10.5281/zenodo.6121762
title: Generic solving of a multi-compartment physiologically-based kinetic model

description: This repository makes available supplementary material related to a scientific paper in progress.
DOI: 10.34740/kaggle/ds/2103576
title: Victoria BC, Canada. Tree Species Data
DOI: 10.6084/m9.figshare.19446917
title: Transcriptome Profiling of a Common Mistletoe Species Parasitizing Four Typical Host Species in Urban Southwest China

description: Comparing gene expression among parasitic plants infecting different host species can have significant implications for understanding host-parasite interactions. <i>Taxillus nigrans</i> is a common hemiparasitic species in Southwest China that parasitizes a variety of host species. However, a lack of nucleotide sequence data to date has hindered transcriptome-level research on <i>T</i>.<i> nigrans</i>. In this study, the transcriptomes of <i>T. nigrans</i> individuals parasitizing four typical host species (<i>Broussonetia papyrifera</i> [Bpap] a broad-leaved tree species; <i>Cryptomeria fortunei </i>[Cfor] a coniferous tree species; <i>Cinnamomum septentrionale </i>[Csep] an evergreen tree species; and<i> Ginkgo biloba</i> [Gbil] a deciduous-coniferous tree species) were sequenced, and the expression profiles and metabolic pathways compared among hosts. A total of 40.06 Gb of clean sequence data were generated in nine cDNA libraries. These were <i>de novo</i> assembled into 293,823 transcripts with an N50 value of 1,790 bp. A large number of differentially expressed genes (DEGs) were identified when comparing <i>T. nigrans</i> individuals on different host species: Bpap vs. Cfor (713 DEGs), Bpap vs. Csep (1,219), Bpap vs. Gbil (1,514), Cfor vs. Csep (1,639), Cfor vs. Gbil (1,722), and Csep vs. Gbil (1,723). Three hundred and eighty-one unigenes were common to all six pairwise comparisons; these were primarily associated with carbohydrate metabolism and energy metabolism, as determined in a KEGG enrichment analysis. Specific involvements included: the TCA cycle, biosynthesis of secondary metabolites, carbon metabolism, biosynthesis of amino acids and glyoxylate/dicarboxylate metabolism. A total of 251 unique unigenes were also identified, specific to either the Bpap vs. Cfor (249 unigenes) or Csep vs. Gbil (two unigenes) comparisons; partial unigenes were associated with the plasma membrane, response to endogenous stimuli, ion binding, and organic hydroxy compound metabolic processes. These results provide a foundation for further explorations of the detailed molecular mechanisms involved in plant parasitism.