cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.7677284
title: Maximal Information Coefficient and Support Vector Regression Based Nonlinear Feature Selection and QSAR Modeling on Toxicity of Alcohol Compounds to Tadpoles of Rana temporaria

description: Efficient evaluation of biotoxicity of organics is of vital significance to resource utilization and environmental protection. In this study, toxicity of 110 alcohol compounds to tadpoles of Rana temporaria is adopted as the dependent variable and 1388 physiochemical parameters (features) calculated by PCLIENT are used for representing each compound. A feature selection pipeline with three steps is developed to refine the feature subset: 282 features that significantly correlated with biotoxicity of chemical compounds are preliminarily selected via the maximum information coefficient (MIC); 138 descriptors that have positive contribution to the model’s performance are reserved after a support vector regression (SVR) based backward elimination; 18 descriptors are finally selected via a forward selection process that integrated minimal redundancy maximal relevance (mRMR), MIC and SVR. In terms of feature subsets with different numbers of variables, quantitative structure activity relationship (QSAR) models are built using multiple linear regression (MLR), partial least square regression (PLS) and SVR, respectively. The independent prediction evaluation index, Q2, increases from -74.787, 0.824 and 0.868 to 0.892, 0.878 and 0.940, for the three regression models, respectively. Results suggest that nonlinear feature selection methods involved in MIC and SVR can effectively eliminate irrelevant descriptors. SVR outperforms classical statistical models to QSAR modeling on high-dimensional data containing nonlinear relationship between features. The methods proposed in this study have a potential application in the QSAR research field such as biotoxicity compounds.
DOI: 10.6084/m9.figshare.17638810.v1
title: Machine learning revealed molecular classification of colorectal cancer with negative lymph node metastasis

description: <b>Purpose:</b> Accurate preoperative staging directly affects the treatment decision of patients with rectal cancer. However, our understanding of the immune subclasses of CRC without lymph node metastasis is still incomplete. <b>Materials and methods:</b> Here, we first analyzed the subclasses of CRC without lymph node metastasis on the Cancer Genome Atlas (TCGA) and verified its stability in the GSE39582 dataset. Four immune subclasses (C1–C4) were identified and verified by non-negative matrix factorization (NMF) of gene expression profiles. Then, ICI scores of six genes were constructed to characterize subclasses. <b>Results:</b> There were significant differences in metabolic and progression-associated signatures, immune characteristics, and clinical characteristics among subclasses. C3 represented a good prognosis with high TMB. C4 showed unique immune characteristics. We believe that C3 is the initial stage of CRC. After the C1 and C2 stages, it progresses to the C4 stage, and finally, lymph node metastasis occurs. <b>Conclusions: </b>This work may help to provide a basis for immunotherapy decision-making in early CRC and may guide personalized methods of cancer immunotherapy.
DOI: 10.6084/m9.figshare.5580259
title: A novel lipid prodrug strategy for sustained delivery of hexadecyloxypropyl 9-[2-(phosphonomethoxy)ethyl]guanine (HDP-PMEG) on unwanted ocular proliferation

description: Proliferative vitreoretinopathy (PVR) is a blinding eye disease and there is no effective pharmacological measure to prevent PVR development. The difficulty comes from lack of potent antiproliferative agent and lack of sustained delivery to cover high-risk time window for PVR to develop. Lipid prodrug of PMEG, hexadecyloxypropyl 9-[(2-phosphonomethoxy)ethyl]guanine (HDP-PMEG), was prepared and was evaluated as a pharmacological adjuvant to surgical management of PVR. A dose-escalation study determined that the highest nontoxic dose for intravitreal use in pigmented rabbits was 3 µg per eye. The genotoxicity of HDP-PMEG was harnessed as a perioperative preventative measure against PVR in a rabbit eye model while the sustained intravitreal pharmacological effect was evaluated on a laser-induced fibrovascular model in rat eye. After intravitreal 3 µg, HDP-PMEG particles in the rabbit vitreous was visible for at least 6 weeks. A single 50-min intravitreal infusion of HDP-PMEG demonstrated significant inhibition of PVR formation when compared with the eyes infused with only BSS (BSS vs. HDP-PMEG: estimate = 1.14, OR = 3.1, <i>p</i> = .027). A single intravitreal 104 ng (equivalent to 3 µg for rabbit eye) of HDP-PMEG significantly inhibit laser-induced fibrovascular proliferation in rat eye by 55% (least square mean pixel, BSS = 4763569.5 vs. HDP-PMEG = 2148129.7, <i>p</i> &lt; .0001, generalized estimating equation [GEE]). Retinal fluorescein angiography showed the odds for BSS intervened eyes to have higher-rated FA leaking grades were 38.5 times compared with HDP-PMEG treated eyes (<i>p</i> &lt; .0001, GEE). Our study results indicate that single intravitreal HDP-PMEG may be a promising ocular drug delivery as a perioperative intervention to prevent PVR reoccurrence following primary surgical management.
DOI: 10.6084/m9.figshare.23930348
title: Additional file 1 of Protein regulator of cytokinesis 1: a potential oncogenic driver

description: Supplemental text file 1: Materials and Methods. Additional file 1: Differentially expressed genes (56493 genes) in tumor tissues compared by PRC1: High vs. Low in 36 cancer types, the data is separately shown in sheets 1–36 in 36 cancer types; Additional file 2. GSEA-based pathway analysis of the differentially expressed genes (56493 genes) in 36 cancers, the data is separately shown in sheets 1–36 in 36 cancer types; Additional file 3. The correlation analysis of PRC1 with the 56493 genes in 36 cancers, the data is separately shown in sheets 1–36 in 36 cancer types; Additional file 4. The predicted and experimentally validated transcription factors upstream of PRC1, Additional file 5. The predicted and validated miRNAs targeting PRC1, and Additional file 6. Chemicals that affect the expression/phosphorylation of PRC1.
DOI: 10.6084/m9.figshare.5580154
title: Middle Jurassic–Early Cretaceous tectonic evolution of the Bayanhushuo area, southern Great Xing’an Range, NE China: constraints from zircon U–Pb geochronological and geochemical data of volcanic and subvolcanic rocks

description: This study presents new zircon U–Pb geochronology, geochemistry, and zircon Hf isotopic data of volcanic and subvolcanic rocks that crop out in the Bayanhushuo area of the southern Great Xing’an Range (GXR) of NE China. These data provide insights into the tectonic evolution of this area during the late Mesozoic and constrain the evolution of the Mongol–Okhotsk Ocean. Combining these new ages with previously published data suggests that the late Mesozoic volcanism occurred in two distinct episodes: Early–Middle Jurassic (176–173 Ma) and Late Jurassic–Early Cretaceous (151–138 Ma). The Early–Middle Jurassic dacite porphyry belongs to high-K calc-alkaline series, showing the features of I-type igneous rock. This unit has zircon ε<sub>Hf</sub>(t) values from +4.06 to +11.62 that yield two-stage model ages (T<sub>DM2</sub>) from 959 to 481 Ma. The geochemistry of the dacite porphyry is indicative of formation in a volcanic arc tectonic setting, and it is derived from a primary magma generated by the partial melting of juvenile mafic crustal material. The Late Jurassic–Early Cretaceous volcanic rocks belong to high-K calc-alkaline or shoshonite series and have A<sub>2</sub>-type affinities. These volcanics have ε<sub>Hf</sub>(t) and T<sub>DM2</sub> values from +5.00 to +8.93 and from 879 to 627 Ma, respectively. The geochemistry of these Late Jurassic–Early Cretaceous volcanic rocks is indicative of formation in a post-collisional extensional environment, and they formed from primary magmas generated by the partial melting of juvenile mafic lower crust. The discovery of late Mesozoic volcanic and subvolcanic rocks within the southern GXR indicates that this region was in volcanic arc and extensional tectonic settings during the Early–Middle Jurassic and the Late Jurassic–Early Cretaceous, respectively. This indicates that the Mongol–Okhotsk oceanic plate was undergoing subduction during the Early–Middle Jurassic, and this ocean adjacent to the GXR may have closed by the Late Middle Jurassic–Early Late Jurassic.
DOI: 10.6084/m9.figshare.9250289
title: Analytical code and experimental thermography from A widely adaptable analytical method for thermal analysis of flexible electronics with complex heat source structures

description: The supplementary materials contain a maple document and three experimental thermographs. The analytical results can be obtained from the maple code. And all experiment data are extracted from the thermographs which can be opened by the soft ware “IRBIS3 professional”.
DOI: 10.6084/m9.figshare.5580154.v1
title: Middle Jurassic–Early Cretaceous tectonic evolution of the Bayanhushuo area, southern Great Xing’an Range, NE China: constraints from zircon U–Pb geochronological and geochemical data of volcanic and subvolcanic rocks

description: This study presents new zircon U–Pb geochronology, geochemistry, and zircon Hf isotopic data of volcanic and subvolcanic rocks that crop out in the Bayanhushuo area of the southern Great Xing’an Range (GXR) of NE China. These data provide insights into the tectonic evolution of this area during the late Mesozoic and constrain the evolution of the Mongol–Okhotsk Ocean. Combining these new ages with previously published data suggests that the late Mesozoic volcanism occurred in two distinct episodes: Early–Middle Jurassic (176–173 Ma) and Late Jurassic–Early Cretaceous (151–138 Ma). The Early–Middle Jurassic dacite porphyry belongs to high-K calc-alkaline series, showing the features of I-type igneous rock. This unit has zircon ε<sub>Hf</sub>(t) values from +4.06 to +11.62 that yield two-stage model ages (T<sub>DM2</sub>) from 959 to 481 Ma. The geochemistry of the dacite porphyry is indicative of formation in a volcanic arc tectonic setting, and it is derived from a primary magma generated by the partial melting of juvenile mafic crustal material. The Late Jurassic–Early Cretaceous volcanic rocks belong to high-K calc-alkaline or shoshonite series and have A<sub>2</sub>-type affinities. These volcanics have ε<sub>Hf</sub>(t) and T<sub>DM2</sub> values from +5.00 to +8.93 and from 879 to 627 Ma, respectively. The geochemistry of these Late Jurassic–Early Cretaceous volcanic rocks is indicative of formation in a post-collisional extensional environment, and they formed from primary magmas generated by the partial melting of juvenile mafic lower crust. The discovery of late Mesozoic volcanic and subvolcanic rocks within the southern GXR indicates that this region was in volcanic arc and extensional tectonic settings during the Early–Middle Jurassic and the Late Jurassic–Early Cretaceous, respectively. This indicates that the Mongol–Okhotsk oceanic plate was undergoing subduction during the Early–Middle Jurassic, and this ocean adjacent to the GXR may have closed by the Late Middle Jurassic–Early Late Jurassic.
DOI: 10.6084/m9.figshare.7677491.v1
title: Free vibration analysis of nano-tubes consisted of functionally graded bi-semi-tubes by a two-steps perturbation method

description: Abstract Free vibration of a bimaterial circular nano-tube is investigated. The tube is formed by bonding together a Si3N4/SUS304 functionally graded upper semi tube and a ZrO2/Ti-6Al-4V functionally graded lower semi tube. The material properties of the tube are assumed to vary along the radius according to power law with the power index of upper semi tube differing from that of lower semi tube. Based on non-local elasticity theory and Hamilton’s principle, a refined beam model considering the effect of transverse shear deformation is used to derive the governing equations, then analytical solution is obtained by using a two-steps perturbation method. Our results were compared with the existing ones. The effects on tube’s linear and non-linear frequency are analyzed of the factors, including small scale parameter, temperature, the double volume fraction indexes, slenderness ratio and different types of beam model. A new approach is suggested in this article to change the natural frequency of the tubes by adjusting constituent materials. In contrast to conventional approach, the new one can result in more accurate frequency control in the same dimensionless size of tubes.
DOI: 10.6084/m9.figshare.25243561
title: HISAT2 indexes for mm39

description: HISAT2 indexes for mm39Kim, D., Paggi, J.M., Park, C. <i>et al.</i> Graph-based genome alignment and genotyping with HISAT2 and HISAT-genotype. <i>Nat Biotechnol</i> <b>37</b>, 907–915 (2019).
DOI: 10.6084/m9.figshare.7677491
title: Free vibration analysis of nano-tubes consisted of functionally graded bi-semi-tubes by a two-steps perturbation method

description: Abstract Free vibration of a bimaterial circular nano-tube is investigated. The tube is formed by bonding together a Si3N4/SUS304 functionally graded upper semi tube and a ZrO2/Ti-6Al-4V functionally graded lower semi tube. The material properties of the tube are assumed to vary along the radius according to power law with the power index of upper semi tube differing from that of lower semi tube. Based on non-local elasticity theory and Hamilton’s principle, a refined beam model considering the effect of transverse shear deformation is used to derive the governing equations, then analytical solution is obtained by using a two-steps perturbation method. Our results were compared with the existing ones. The effects on tube’s linear and non-linear frequency are analyzed of the factors, including small scale parameter, temperature, the double volume fraction indexes, slenderness ratio and different types of beam model. A new approach is suggested in this article to change the natural frequency of the tubes by adjusting constituent materials. In contrast to conventional approach, the new one can result in more accurate frequency control in the same dimensionless size of tubes.
DOI: 10.6084/m9.figshare.24452517.v1
title: Additional file 1 of Composition of pathogenic microorganism in chronic osteomyelitis based on metagenomic sequencing and its application value in etiological diagnosis

description: Supplementary Material 1
DOI: 10.5517/ccdc.csd.cc2g3z7t
title: CCDC 2267936: Experimental Crystal Structure Determination

description: Related Article: Daniel W. N. Wilson, Majed S. Fataftah, Zachary Mathe, Brandon Q. Mercado, Serena DeBeer, Patrick L. Holland|2024|J.Am.Chem.Soc.|146|4013|doi:10.1021/jacs.3c12157
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.cc2gfd5h
title: CCDC 2276986: Experimental Crystal Structure Determination

description: Related Article: Noha Khamis, Ye Zheng, Marianna N. Diamantakis, Guy J. Clarkson, Jie Liu, Martin Wills|2024|J.Org.Chem.|89|2759|doi:10.1021/acs.joc.3c01950
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.cc2gfd6j
title: CCDC 2276987: Experimental Crystal Structure Determination

description: Related Article: Noha Khamis, Ye Zheng, Marianna N. Diamantakis, Guy J. Clarkson, Jie Liu, Martin Wills|2024|J.Org.Chem.|89|2759|doi:10.1021/acs.joc.3c01950
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.cc2gfd7k
title: CCDC 2276988: Experimental Crystal Structure Determination

description: Related Article: Noha Khamis, Ye Zheng, Marianna N. Diamantakis, Guy J. Clarkson, Jie Liu, Martin Wills|2024|J.Org.Chem.|89|2759|doi:10.1021/acs.joc.3c01950
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.cc2gfd8l
title: CCDC 2276989: Experimental Crystal Structure Determination

description: Related Article: Noha Khamis, Ye Zheng, Marianna N. Diamantakis, Guy J. Clarkson, Jie Liu, Martin Wills|2024|J.Org.Chem.|89|2759|doi:10.1021/acs.joc.3c01950
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.25244359
title: EJP SOIL SOMMIT: fatty acids and enzyme activities

description: Dataset corresponding to the fatty acids (microbial biomass) and enzyme activities of the soils incubated in the EJP Soil SOMMIT.
DOI: 10.6084/m9.figshare.25244359.v1
title: EJP SOIL SOMMIT: fatty acids and enzyme activities

description: Dataset corresponding to the fatty acids (microbial biomass) and enzyme activities of the soils incubated in the EJP Soil SOMMIT.
DOI: 10.6084/m9.figshare.16590494
title: Additional file 2 of Xanthine dehydrogenase as a prognostic biomarker related to tumor immunology in hepatocellular carcinoma

description: Additional file 2: Immunostaining score.
DOI: 10.11583/dtu.21501963.v1
title: Core field coefficients for additional models in the .mat format

description: Core field coefficients for additional models in the .mat format derived for the article "Localized origin at the core-mantle boundary of the 1969 geomagnetic impulse". 
<br>
Please refer to the project "Localized origin at the core-mantle boundary of the 1969 geomagnetic impulse" for further description (link in REFERENCES).
DOI: 10.6084/m9.figshare.16590497
title: Additional file 3 of Xanthine dehydrogenase as a prognostic biomarker related to tumor immunology in hepatocellular carcinoma

description: Additional file 3: WB quantification.
DOI: 10.6084/m9.figshare.7677599
title: Expressions of Transforming Growth Factor β1 Signaling Cytokines in Aortic Dissection

description: Abstract Objective: To demonstrate the underlying mechanisms of aortic dissection compared to those of coronary artery disease in terms of the transforming growth factor-beta (TGF-β) signaling pathway. Methods: Twenty consecutive aortic dissection patients and 20 consecutive coronary artery disease patients undergoing a surgical treatment in this hospital were enrolled into this study. The aortic tissues were sampled and the TGF-β1 and its receptor TGF-β receptor I (TβRI) were detected by Western blotting assay. Results: TGF-β1 and TβRI were positively expressed in the aortic tissues in both groups by Western blotting assay. The expressions of the two proteins were significantly higher in the aortic tissue of patients with aortic dissection than in those with coronary artery disease. The quantitative analyses of the relative gray scales of the proteins disclosed close correlations between the expressions of TGF-β1 and TβRI in both the study and control group patients. Conclusions: The aortic remodeling of aortic dissection might differ from that of coronary artery atherosclerosis concerning the nature, mechanism, mode, and activities of TGF-β signaling pathway. The development of aortic dissection could be associated with a significantly enhanced function of TGF-β1/Smad signaling transduction as a result of aortic remodeling incorporating both vascular injury and repair.
DOI: 10.6084/m9.figshare.7677599.v1
title: Expressions of Transforming Growth Factor β1 Signaling Cytokines in Aortic Dissection

description: Abstract Objective: To demonstrate the underlying mechanisms of aortic dissection compared to those of coronary artery disease in terms of the transforming growth factor-beta (TGF-β) signaling pathway. Methods: Twenty consecutive aortic dissection patients and 20 consecutive coronary artery disease patients undergoing a surgical treatment in this hospital were enrolled into this study. The aortic tissues were sampled and the TGF-β1 and its receptor TGF-β receptor I (TβRI) were detected by Western blotting assay. Results: TGF-β1 and TβRI were positively expressed in the aortic tissues in both groups by Western blotting assay. The expressions of the two proteins were significantly higher in the aortic tissue of patients with aortic dissection than in those with coronary artery disease. The quantitative analyses of the relative gray scales of the proteins disclosed close correlations between the expressions of TGF-β1 and TβRI in both the study and control group patients. Conclusions: The aortic remodeling of aortic dissection might differ from that of coronary artery atherosclerosis concerning the nature, mechanism, mode, and activities of TGF-β signaling pathway. The development of aortic dissection could be associated with a significantly enhanced function of TGF-β1/Smad signaling transduction as a result of aortic remodeling incorporating both vascular injury and repair.
DOI: 10.6084/m9.figshare.16590497.v1
title: Additional file 3 of Xanthine dehydrogenase as a prognostic biomarker related to tumor immunology in hepatocellular carcinoma

description: Additional file 3: WB quantification.
DOI: 10.6084/m9.figshare.25243786
title: PredGCN

description: PredGCN
DOI: 10.6084/m9.figshare.25243786.v2
title: PredGCN

description: PredGCN
DOI: 10.6084/m9.figshare.25243786.v1
title: PredGCN

description: PredGCN
DOI: 10.6084/m9.figshare.16590666.v1
title: Additional file 7 of Strategies and Structure Feature of the Aboveground and Belowground Microbial Community Respond to Drought in Wild Rice (Oryza longistaminata)

description: Additional file 7: Table S1. Soil texture data.
DOI: 10.6084/m9.figshare.16590672.v1
title: Additional file 9 of Strategies and Structure Feature of the Aboveground and Belowground Microbial Community Respond to Drought in Wild Rice (Oryza longistaminata)

description: Additional file 9: Table S3. The degree of fold change under drought at the family level.
DOI: 10.23670/irj.2023.131.59.2
title: The level of cytokines in the blood serum of patients with severe postoperative peritonitis

description: Международный научно-исследовательский журнал, Выпуск 5 (131) 2023
DOI: 10.23670/irj.2023.131.60.2
title: Константа скорости реакции окисления жирных кислот оливкового масла при хранении

description: Международный научно-исследовательский журнал, Выпуск 5 (131) 2023
DOI: 10.23670/irj.2023.131.93.1
title: Данные о заболеваемости липомами среди мужчин и женщин в разрезе возрастных групп за 2019 год

description: Международный научно-исследовательский журнал, Выпуск 5 (131) 2023
DOI: 10.23670/irj.2023.131.95.1
title: Результаты исследования Британского агентства ICM Research

description: Международный научно-исследовательский журнал, Выпуск 5 (131) 2023
DOI: 10.23670/irj.2023.131.60.3
title: Содержание насыщенных и ненасыщенных кислот оливкового масла при поступлении на хранение

description: Международный научно-исследовательский журнал, Выпуск 5 (131) 2023