cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4535996
title: Dataset related to article "Circulating Tumor Cells and Metabolic Parameters in NSCLC Patients Treated With Checkpoint Inhibitors"

description: This record contains raw data related to article "Circulating Tumor Cells and Metabolic Parameters in NSCLC Patients Treated With Checkpoint Inhibitors" <sup> </sup> Abstract Circulating tumor cells (CTC) count and characterization have been associated with poor prognosis in recent studies. Our aim was to examine CTC count and its association with metabolic parameters and clinical outcomes in non-small cell lung carcinoma (NSCLC) patients treated with immune checkpoint inhibitors (ICI). For this prospective study, data from 35 patients (23 males, 12 females) were collected and analyzed. All patients underwent an 18F-fluorodeoxyglucose positron emission tomography/computed tomography (18F-FDG-PET/CT) scan and CTC detection through Isolation by Size of Tumor/Trophoblastic Cells (ISET) from peripheral blood samples obtained at baseline and 8 weeks after ICI initiation. Association of CTC count with clinical and metabolic characteristics was studied. Progression-free survival (PFS) and overall survival (OS) were analyzed using the Kaplan-Meier method and the log-rank test. Median follow-up was 13.2 months (range of 4.9-21.6). CTC were identified in 16 out of 35 patients (45.7%) at baseline and 10 out of 24 patients at 8 weeks (41.7%). Mean CTC numbers before and after 8 weeks were 15 ± 28 and 11 ± 19, respectively. Prior to ICI, the mean CTC number was significantly higher in treatment-naïve patients (34 ± 39 vs. 9 ± 21, <em>p</em> = 0.004). CTC count variation (ΔCTC) was significantly associated with tumor metabolic response set by European Organization for Research and Treatment of Cancer (EORTC) criteria (<em>p</em> = 0.033). At the first restaging, patients with a high tumor burden, that is, metabolic tumor volume (MTV) and total lesion glycolysis (TLG), had a higher CTC count (<em>p</em> = 0.009). The combination of mean CTC and median MTV at 8 weeks was associated with PFS (<em>p</em> &lt; 0.001) and OS (<em>p</em> = 0.024). Multivariate analysis identified CTC count at 8 weeks as an independent predictor for PFS and OS, whereas ΔMTV and maximum standardized uptake value variation (ΔSUVmax) was predictive for PFS and OS, respectively. Our study confirmed that CTC number is modulated by previous treatments and correlates with metabolic response during ICI. Moreover, elevated CTC count, along with metabolic parameters, were found to be prognostic factors for PFS and OS.
DOI: 10.5281/zenodo.4535995
title: Dataset related to article "Circulating Tumor Cells and Metabolic Parameters in NSCLC Patients Treated With Checkpoint Inhibitors"

description: This record contains raw data related to article "Circulating Tumor Cells and Metabolic Parameters in NSCLC Patients Treated With Checkpoint Inhibitors" <sup> </sup> Abstract Circulating tumor cells (CTC) count and characterization have been associated with poor prognosis in recent studies. Our aim was to examine CTC count and its association with metabolic parameters and clinical outcomes in non-small cell lung carcinoma (NSCLC) patients treated with immune checkpoint inhibitors (ICI). For this prospective study, data from 35 patients (23 males, 12 females) were collected and analyzed. All patients underwent an 18F-fluorodeoxyglucose positron emission tomography/computed tomography (18F-FDG-PET/CT) scan and CTC detection through Isolation by Size of Tumor/Trophoblastic Cells (ISET) from peripheral blood samples obtained at baseline and 8 weeks after ICI initiation. Association of CTC count with clinical and metabolic characteristics was studied. Progression-free survival (PFS) and overall survival (OS) were analyzed using the Kaplan-Meier method and the log-rank test. Median follow-up was 13.2 months (range of 4.9-21.6). CTC were identified in 16 out of 35 patients (45.7%) at baseline and 10 out of 24 patients at 8 weeks (41.7%). Mean CTC numbers before and after 8 weeks were 15 ± 28 and 11 ± 19, respectively. Prior to ICI, the mean CTC number was significantly higher in treatment-naïve patients (34 ± 39 vs. 9 ± 21, <em>p</em> = 0.004). CTC count variation (ΔCTC) was significantly associated with tumor metabolic response set by European Organization for Research and Treatment of Cancer (EORTC) criteria (<em>p</em> = 0.033). At the first restaging, patients with a high tumor burden, that is, metabolic tumor volume (MTV) and total lesion glycolysis (TLG), had a higher CTC count (<em>p</em> = 0.009). The combination of mean CTC and median MTV at 8 weeks was associated with PFS (<em>p</em> &lt; 0.001) and OS (<em>p</em> = 0.024). Multivariate analysis identified CTC count at 8 weeks as an independent predictor for PFS and OS, whereas ΔMTV and maximum standardized uptake value variation (ΔSUVmax) was predictive for PFS and OS, respectively. Our study confirmed that CTC number is modulated by previous treatments and correlates with metabolic response during ICI. Moreover, elevated CTC count, along with metabolic parameters, were found to be prognostic factors for PFS and OS.
DOI: 10.15468/axg6vx
title: A new unusual Anabropsis species from Mexico, with notes on the identity of A. rehni Griffini from Africa (Orthoptera: Anostostomatidae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Cadena-Castañeda, Rj., Db. Weissman, González-Castillo, Nédiker Stiven, Castillo-Avila, Camilo, Arias-Pineda, Julián Yessid (2020): A new unusual Anabropsis species from Mexico, with notes on the identity of A. rehni Griffini from Africa (Orthoptera: Anostostomatidae). Zootaxa 4860 (4): 592-600, DOI: https://doi.org/10.11646/zootaxa.4860.4.8
DOI: 10.5281/zenodo.4536020
title: Cluster-EDA-DV

description: Cluster-EDA-DV
DOI: 10.5281/zenodo.4536019
title: Cluster-EDA-DV

description: Cluster-EDA-DV
DOI: 10.6084/m9.figshare.12272351
title: Supplemental material for Singh et al. 2020

description: Title: "Network Analysis and Transcriptome Profiling Identify Autophagic and Mitochondrial Dysfunctions in SARS-CoV-2 Infection"<br><br>Dataset contains all supplemental files plus additional files including complete gene differential expression analysis and pathway enrichment analysis results.<br>
DOI: 10.5281/zenodo.4536016
title: Dataset related to article "The role of 11C-methionine PET in patients with negative diffusion-weighted magnetic resonance imaging: correlation with histology and molecular biomarkers in operated gliomas "

description: This record contains raw data related to article "The role of 11C-methionine PET in patients with negative diffusion-weighted magnetic resonance imaging: correlation with histology and molecular biomarkers in operated gliomas " Abstract <strong>Objective: </strong> To compare 11C-methionine (11C-METH) PET with diffusion-weighted MRI (DWI-MRI) diagnostic accuracy and prognostic value in patients with glioma candidate to neurosurgery. <strong>Methods: </strong> We collected and analyzed data from 124 consecutive patients (n = 124) investigated during preoperative work-up. Both visual and semiquantitative parameters were utilized for image analysis. The reference standard was based on histopathology. The median follow-up was 14.3 months. <strong>Results: </strong> Overall, 47 high-grade gliomas (HGG) and 77 low-grade gliomas (LGG) were diagnosed. On visual assessment, sensitivity and specificity for differentiating HGG from LGG were 80.8 and 59.7% for DWI-MRI, versus 95.7 and 41.5% for 11C-METH PET, respectively. On semiquantitative analysis, the sensitivity, specificity, and area under the curve were 78.7, 71.4, and 80.4% for SUVmax, 78.7, 70.1, and 81.1% for SUVratio, and 74.5, 61, and 76.7% for MTB (metabolic tumor burden), respectively. In patients with negative DWI-MRI and IDH-wild type, SUVmax and SUVratio were higher compared to IDH-mutated (P = 0.025 and P = 0.01, respectively). In LGG, patients with 1p/19q codeletion showed higher SUVmax (P = 0.044). In all patients with negative DWI-MRI, median PFS was longer for SUVmax &lt;3.9 (median not reached vs 34.2 months, P = 0.004), SUVratio &lt;2.3 (median not reached vs 21.5 months, P &lt; 0.001), and MTB &lt;3.1 (median not reached vs 45.7 months, P = 0.05). In LGG patients with negative DWI-MRI, only SUVratio &lt;2.3 and MTB &lt;3.1 were associated with longer PFS (P = 0.016 and P = 0.024, respectively). <strong>Conclusion: </strong> C-METH PET was found highly sensitive for glioma differentiation and molecular characterization. In DWI-negative patients, PET parameters correlated with molecular profile were associated with clinical outcome.
DOI: 10.5281/zenodo.4536015
title: Dataset related to article "The role of 11C-methionine PET in patients with negative diffusion-weighted magnetic resonance imaging: correlation with histology and molecular biomarkers in operated gliomas "

description: This record contains raw data related to article "The role of 11C-methionine PET in patients with negative diffusion-weighted magnetic resonance imaging: correlation with histology and molecular biomarkers in operated gliomas " Abstract <strong>Objective: </strong> To compare 11C-methionine (11C-METH) PET with diffusion-weighted MRI (DWI-MRI) diagnostic accuracy and prognostic value in patients with glioma candidate to neurosurgery. <strong>Methods: </strong> We collected and analyzed data from 124 consecutive patients (n = 124) investigated during preoperative work-up. Both visual and semiquantitative parameters were utilized for image analysis. The reference standard was based on histopathology. The median follow-up was 14.3 months. <strong>Results: </strong> Overall, 47 high-grade gliomas (HGG) and 77 low-grade gliomas (LGG) were diagnosed. On visual assessment, sensitivity and specificity for differentiating HGG from LGG were 80.8 and 59.7% for DWI-MRI, versus 95.7 and 41.5% for 11C-METH PET, respectively. On semiquantitative analysis, the sensitivity, specificity, and area under the curve were 78.7, 71.4, and 80.4% for SUVmax, 78.7, 70.1, and 81.1% for SUVratio, and 74.5, 61, and 76.7% for MTB (metabolic tumor burden), respectively. In patients with negative DWI-MRI and IDH-wild type, SUVmax and SUVratio were higher compared to IDH-mutated (P = 0.025 and P = 0.01, respectively). In LGG, patients with 1p/19q codeletion showed higher SUVmax (P = 0.044). In all patients with negative DWI-MRI, median PFS was longer for SUVmax &lt;3.9 (median not reached vs 34.2 months, P = 0.004), SUVratio &lt;2.3 (median not reached vs 21.5 months, P &lt; 0.001), and MTB &lt;3.1 (median not reached vs 45.7 months, P = 0.05). In LGG patients with negative DWI-MRI, only SUVratio &lt;2.3 and MTB &lt;3.1 were associated with longer PFS (P = 0.016 and P = 0.024, respectively). <strong>Conclusion: </strong> C-METH PET was found highly sensitive for glioma differentiation and molecular characterization. In DWI-negative patients, PET parameters correlated with molecular profile were associated with clinical outcome.
DOI: 10.6084/m9.figshare.12272351.v7
title: Supplemental material for Singh et al. 2020

description: Title: "Network Analysis and Transcriptome Profiling Identify Autophagic and Mitochondrial Dysfunctions in SARS-CoV-2 Infection"<br><br>Dataset contains all supplemental files plus additional files including complete gene differential expression analysis and pathway enrichment analysis results.<br>
DOI: 10.5281/zenodo.3556419
title: andhrarolls2014-splita

description: This deposit serves as a long-term archive for the unprocessed raw data behind the andhrarolls2014 table in my comprehensive dataset on religion and politics in India, which is available at https://github.com/raphael-susewind/india-religion-politics/tree/master/andhrarolls2014
DOI: 10.5281/zenodo.3556418
title: andhrarolls2014-splita

description: This deposit serves as a long-term archive for the unprocessed raw data behind the andhrarolls2014 table in my comprehensive dataset on religion and politics in India, which is available at https://github.com/raphael-susewind/india-religion-politics/tree/master/andhrarolls2014
DOI: 10.5281/zenodo.4536043
title: Dataset related to article "Metabolic Switch in Hepatocellular Carcinoma Patients Treated with Sorafenib: a Proof-of-Concept Trial "

description: This record contains raw data related to article "Metabolic Switch in Hepatocellular Carcinoma Patients Treated with Sorafenib: a Proof-of-Concept Trial" Abstract <strong>Background: </strong> Sorafenib is a multikinase inhibitor used to treat advanced hepatocellular carcinoma (HCC). Recently, a preclinical trial has shown that response to sorafenib is associated with a metabolic shift towards aerobic glycolysis. To test this observation in humans, we decided to conduct a proof-of-concept trial investigating the role of metabolic shift detected on [<sup>18</sup>F]FDG PET/CT in predicting survival and tumor response in HCC patients treated with sorafenib. <strong>Methods: </strong> We prospectively enrolled advanced HCC patients candidate to sorafenib and undergoing [<sup>18</sup>F]FDG PET/CT at baseline, at 24 h, and at day 7 following treatment start. Response evaluation was obtained after 8 weeks according to Response Evaluation Criteria in Solid Tumors (RECIST). All clinical variables and metabolic parameters (i.e., SUVmax; metabolic tumor volume, MTV; total lesion glycolysis, TLG; and their variations, Δ) were compared with those of treatment response and correlated to progression-free (PFS) and overall survival (OS). <strong>Results: </strong> For this proof-of-concept trial, between August 2016 and August 2018, 13 patients (10 male, 3 female, median age 69) were enrolled. Considering the entire cohort, we demonstrated a significant negative correlation between ΔSUVmax at 24 h and 1 week (rho = - 0.733, p = 0.016). The metabolic shift, as expected, demonstrated median SUVmax, MTV, and TLG after 1 week lower in patients with a stable disease than a progressive disease (p = 0.019). Metabolic parameters and ECOG performance status (PS) resulted significantly correlated to PFS and OS at univariate analysis. On multivariate analysis, only median MTV at 1 week resulted as an independent prognostic factor for PFS (p = 0.033). <strong>Conclusions: </strong> As hypothesized, [<sup>18</sup>F]FDG PET/CT resulted in able to evaluate metabolic shift at 24 h and early treatment response already 1 week after treatment start. Moreover, metabolic parameters and ECOG PS resulted in predictive and prognostic factors to PFS and OS, with MTV at 1 week appearing as an independent predictive factor for PFS. <strong>Trial registration: </strong> ClinicalTrials.gov NCT02977754.
DOI: 10.5281/zenodo.4536050
title: Associated data files for Disrupting Upstream translation in mRNAs is associated with human disease

description: Associated data files to reproduce analyses published in "Disrupting Upstream translation in mRNAs is associated with human disease".
DOI: 10.5281/zenodo.4441225
title: Associated data files for Disrupting Upstream translation in mRNAs is associated with human disease

description: Associated data files to reproduce analyses published in "Disrupting Upstream translation in mRNAs is associated with human disease".
DOI: 10.5281/zenodo.4536042
title: Dataset related to article "Metabolic Switch in Hepatocellular Carcinoma Patients Treated with Sorafenib: a Proof-of-Concept Trial "

description: This record contains raw data related to article "Metabolic Switch in Hepatocellular Carcinoma Patients Treated with Sorafenib: a Proof-of-Concept Trial" Abstract <strong>Background: </strong> Sorafenib is a multikinase inhibitor used to treat advanced hepatocellular carcinoma (HCC). Recently, a preclinical trial has shown that response to sorafenib is associated with a metabolic shift towards aerobic glycolysis. To test this observation in humans, we decided to conduct a proof-of-concept trial investigating the role of metabolic shift detected on [<sup>18</sup>F]FDG PET/CT in predicting survival and tumor response in HCC patients treated with sorafenib. <strong>Methods: </strong> We prospectively enrolled advanced HCC patients candidate to sorafenib and undergoing [<sup>18</sup>F]FDG PET/CT at baseline, at 24 h, and at day 7 following treatment start. Response evaluation was obtained after 8 weeks according to Response Evaluation Criteria in Solid Tumors (RECIST). All clinical variables and metabolic parameters (i.e., SUVmax; metabolic tumor volume, MTV; total lesion glycolysis, TLG; and their variations, Δ) were compared with those of treatment response and correlated to progression-free (PFS) and overall survival (OS). <strong>Results: </strong> For this proof-of-concept trial, between August 2016 and August 2018, 13 patients (10 male, 3 female, median age 69) were enrolled. Considering the entire cohort, we demonstrated a significant negative correlation between ΔSUVmax at 24 h and 1 week (rho = - 0.733, p = 0.016). The metabolic shift, as expected, demonstrated median SUVmax, MTV, and TLG after 1 week lower in patients with a stable disease than a progressive disease (p = 0.019). Metabolic parameters and ECOG performance status (PS) resulted significantly correlated to PFS and OS at univariate analysis. On multivariate analysis, only median MTV at 1 week resulted as an independent prognostic factor for PFS (p = 0.033). <strong>Conclusions: </strong> As hypothesized, [<sup>18</sup>F]FDG PET/CT resulted in able to evaluate metabolic shift at 24 h and early treatment response already 1 week after treatment start. Moreover, metabolic parameters and ECOG PS resulted in predictive and prognostic factors to PFS and OS, with MTV at 1 week appearing as an independent predictive factor for PFS. <strong>Trial registration: </strong> ClinicalTrials.gov NCT02977754.
DOI: 10.5517/ccdc.csd.cc1khlj5
title: CCDC 1444957: Experimental Crystal Structure Determination

description: Related Article: Radha Raman Maurya, Varun Mohan, Prashant Singh, Sangeeta Singh, Indra Bahadur|2021|J.Mol.Liq.|328|115471|doi:10.1016/j.molliq.2021.115471
DOI: 10.5517/ccdc.csd.cc1z4m7z
title: CCDC 1821691: Experimental Crystal Structure Determination

description: Related Article: Sibo Liu, Chenguang Wang, Hongbo Chen, Changquan Calvin Sun|2021|Cryst.Growth Des.|21|1077|doi:10.1021/acs.cgd.0c01395
DOI: 10.5281/zenodo.4536029
title: Global consumption and international trade in deforestation-associated commodities could influence malaria risk

description: <strong>Data Availability: </strong>Data on global final consumption and total output were taken from the Eora MRIO database that consists of a multi-region input-output table (MRIO) model providing a time series of high-resolution IO tables with matching environmental and social satellite accounts for 190 countries (https://worldmrio.com). In the data file which we originally provided on Zenodo, there were duplicated rows for the years 2001, 2005, and 2014 which were weighted more heavily, but these rows were hidden. For the sake of transparency, we have also updated the dataset with the rows unhidden.
DOI: 10.5281/zenodo.3630652
title: Global consumption and international trade in deforestation-associated commodities could influence malaria risk

description: <strong>Data Availability: </strong>Data on global final consumption and total output were taken from the Eora MRIO database that consists of a multi-region input-output table (MRIO) model providing a time series of high-resolution IO tables with matching environmental and social satellite accounts for 190 countries (https://worldmrio.com). In the data file which we originally provided on Zenodo, there were duplicated rows for the years 2001, 2005, and 2014 which were weighted more heavily, but these rows were hidden. For the sake of transparency, we have also updated the dataset with the rows unhidden.
DOI: 10.21227/vg25-sd32
title: 5Gophers v1.0

description: We conduct to our knowledge a first measurement study of commercial 5G performance on smartphones by closely examining 5G networks of three carriers (two mmWave carriers, one mid-band 5G carrier) in three U.S. cities. We conduct extensive field tests on 5G performance in diverse urban environments. We systematically analyze the handoff mechanisms in 5G and their impact on network performance, and explore the feasibility of using location and possibly other environmental information to predict the network performance. We also study the app performance (web browsing, HTTP download, and volumetric video streaming) over 5G. Our study consumes more than 15 TB of data. Conducted when 5G just made its debut, it provides a “baseline” for studying how 5G performance evolves, and identifies key research directions on improving 5G users’ experience in a cross-layer manner.
DOI: 10.5517/ccdc.csd.cc247k0z
title: CCDC 1973460: Experimental Crystal Structure Determination

description: Related Article: Yanning Han, Tong Zhang, Qiao Chen, Xinyu Chen, Pengchong Xue|2021|Cryst.Growth Des.|21|1342|doi:10.1021/acs.cgd.0c01637
DOI: 10.5517/ccdc.csd.cc247k54
title: CCDC 1973465: Experimental Crystal Structure Determination

description: Related Article: Yanning Han, Tong Zhang, Qiao Chen, Xinyu Chen, Pengchong Xue|2021|Cryst.Growth Des.|21|1342|doi:10.1021/acs.cgd.0c01637
DOI: 10.5517/ccdc.csd.cc24zxvx
title: CCDC 1995930: Experimental Crystal Structure Determination

description: Related Article: Dimitris I. Ioannou, Dimitra K. Gioftsidou, Vasiliki E. Tsina, Michael G. Kallitsakis, Antonios G. Hatzidimitriou, Michael A. Terzidis, Panagiotis A. Angaridis, Ioannis N. Lykakis|2021|J.Org.Chem.|86|2895|doi:10.1021/acs.joc.0c02814
DOI: 10.5517/ccdc.csd.cc26fw7s
title: CCDC 2039125: Experimental Crystal Structure Determination

description: Related Article: Fangdong Hu, Jie Jia, Ximing Li, Ying Xia|2021|Org.Lett.|23|896|doi:10.1021/acs.orglett.0c04114
DOI: 10.5517/ccdc.csd.cc26fw8t
title: CCDC 2039126: Experimental Crystal Structure Determination

description: Related Article: Fangdong Hu, Jie Jia, Ximing Li, Ying Xia|2021|Org.Lett.|23|896|doi:10.1021/acs.orglett.0c04114
DOI: 10.5517/ccdc.csd.cc26fw9v
title: CCDC 2039127: Experimental Crystal Structure Determination

description: Related Article: Fangdong Hu, Jie Jia, Ximing Li, Ying Xia|2021|Org.Lett.|23|896|doi:10.1021/acs.orglett.0c04114
DOI: 10.5517/ccdc.csd.cc26fwbw
title: CCDC 2039128: Experimental Crystal Structure Determination

description: Related Article: Fangdong Hu, Jie Jia, Ximing Li, Ying Xia|2021|Org.Lett.|23|896|doi:10.1021/acs.orglett.0c04114
DOI: 10.5517/ccdc.csd.cc26fwcx
title: CCDC 2039129: Experimental Crystal Structure Determination

description: Related Article: Fangdong Hu, Jie Jia, Ximing Li, Ying Xia|2021|Org.Lett.|23|896|doi:10.1021/acs.orglett.0c04114
DOI: 10.5517/ccdc.csd.cc26fwdy
title: CCDC 2039130: Experimental Crystal Structure Determination

description: Related Article: Fangdong Hu, Jie Jia, Ximing Li, Ying Xia|2021|Org.Lett.|23|896|doi:10.1021/acs.orglett.0c04114
DOI: 10.5517/ccdc.csd.cc26gdps
title: CCDC 2039635: Experimental Crystal Structure Determination

description: Related Article: Xin-Ting Liang, Bao-Chuan Sun, Chang Liu, Yuan-He Li, Nan Zhang, Qian-Qian Xu, Zhong-Chao Zhang, Yi-Xin Han, Jia-Hua Chen, Zhen Yang|2021|J.Org.Chem.|86|2135|doi:10.1021/acs.joc.0c02494
DOI: 10.5517/ccdc.csd.cc26gdvy
title: CCDC 2039640: Experimental Crystal Structure Determination

description: Related Article: Xin-Ting Liang, Bao-Chuan Sun, Chang Liu, Yuan-He Li, Nan Zhang, Qian-Qian Xu, Zhong-Chao Zhang, Yi-Xin Han, Jia-Hua Chen, Zhen Yang|2021|J.Org.Chem.|86|2135|doi:10.1021/acs.joc.0c02494
DOI: 10.5517/ccdc.csd.cc26gf37
title: CCDC 2039648: Experimental Crystal Structure Determination

description: Related Article: Xin-Ting Liang, Bao-Chuan Sun, Chang Liu, Yuan-He Li, Nan Zhang, Qian-Qian Xu, Zhong-Chao Zhang, Yi-Xin Han, Jia-Hua Chen, Zhen Yang|2021|J.Org.Chem.|86|2135|doi:10.1021/acs.joc.0c02494
DOI: 10.5517/ccdc.csd.cc26gf48
title: CCDC 2039649: Experimental Crystal Structure Determination

description: Related Article: Xin-Ting Liang, Bao-Chuan Sun, Chang Liu, Yuan-He Li, Nan Zhang, Qian-Qian Xu, Zhong-Chao Zhang, Yi-Xin Han, Jia-Hua Chen, Zhen Yang|2021|J.Org.Chem.|86|2135|doi:10.1021/acs.joc.0c02494