cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.24650930
title: Molecular structure, electronic properties, spectroscopic, quantum computational studies of 1-(4-hydroxy-3-methoxyphenyl)ethanone-effective anticancer medicine

description: The molecular structure of 1-(4-hydroxy-3-methoxyphenyl) ethenone has been optimized, and its various parameters were ascertained, using Density Functional Theory. The molecule’s Fourier Transform-Infra Red and Raman spectra are recorded and examined. By comparing the computational and experimental results, molecular structure, bond length, and vibrational band intensity were all interpreted. The Integral Equation Formalism polarizable continuum model’s depictions of electronic and Frontier Molecular Orbital solvent interaction investigations are sported to perceive the charge transfer among the atoms of the molecule in eco-green solvents such as water, acetone, and ethanol. The reactivity sites can be studied by locating and charting the electron density on the surface. The compound’s hardness, softness, electrophilicity, and ionization potential were all analyzed. The pharmacological effects and intra-molecular hyper conjugative interactions are liable for its molecular stability, as shown by Natural Bond Orbital research. Topological studies, including Electron Localized Function, Localized Orbital Locator, and Reduced density gradient analysis, were performed to locate the compound’s bonding area and Vander Waals interactions. Urea was used as a reference compound to examine the substance’s non-linear optical characteristics. Total Density of States has investigated the role of molecular orbitals. Drug-likeness, a Ramachandran plot, and molecular docking were also performed to further analyze 1-(4-hydroxy-3-methoxyphenyl) ethanone’s biological activity. The docking results lend credence to the idea that the title compound could function as a powerful cancer treatment.
DOI: 10.25387/g3.12477842
title: Supplemental Material for Cheng et al., 2020

description: <b>File 1. The GWAS summary statistics of SIS</b><b>Figure S1. Quantile-quantile (QQ) plots of
observed against expected P values for shoulder impingement syndrome</b>The
QQ plot is a graphical representation of the deviation of the observed <i>P</i> values from the null hypothesis: the
observed <i>P</i> values for each SNP are
sorted from largest to smallest and plotted against expected values from a
theoretical χ<sup>2</sup>-distribution.<b>Table S1. Summary
of genome-wide significant loci associated with shoulder impingement syndrome</b>







<b>Table S2. Summary
of significant pathway (P &lt; 0.05) associated with TWAS of</b><b> shoulder impingement syndrome</b>
DOI: 10.25387/g3.12477842.v1
title: Supplemental Material for Cheng et al., 2020

description: <b>File 1. The GWAS summary statistics of SIS</b><b>Figure S1. Quantile-quantile (QQ) plots of
observed against expected P values for shoulder impingement syndrome</b>The
QQ plot is a graphical representation of the deviation of the observed <i>P</i> values from the null hypothesis: the
observed <i>P</i> values for each SNP are
sorted from largest to smallest and plotted against expected values from a
theoretical χ<sup>2</sup>-distribution.<b>Table S1. Summary
of genome-wide significant loci associated with shoulder impingement syndrome</b>







<b>Table S2. Summary
of significant pathway (P &lt; 0.05) associated with TWAS of</b><b> shoulder impingement syndrome</b>
DOI: 10.6084/m9.figshare.20342159.v1
title: Additional file 1 of Identification and validation of a siglec-based and aging-related 9-gene signature for predicting prognosis in acute myeloid leukemia patients

description: Additional file 1: Supplementary Table 1. The aging-related gene set from the National Genomics Data Center.
DOI: 10.6084/m9.figshare.20342159
title: Additional file 1 of Identification and validation of a siglec-based and aging-related 9-gene signature for predicting prognosis in acute myeloid leukemia patients

description: Additional file 1: Supplementary Table 1. The aging-related gene set from the National Genomics Data Center.
DOI: 10.6084/m9.figshare.20342181
title: Additional file 2 of Prevalence, awareness and control of type 2 diabetes mellitus and risk factors in Chinese elderly population

description: Additional file 2: Table 2. Prevalence, awareness, and control of T2DM among adults aged 65 and older in Wuhan. Notes: T2DM, type 2 diabetes mellitus; CI, confidence interval; BMI, body mass index. a Central obesity was defined as waist circumference 90 cm or more in men and 85 cm or more in women. * P &lt; 0.05；** P &lt; 0.01；***P &lt; 0.001; Categorical variables were analyzed by chi-square test.
DOI: 10.6084/m9.figshare.20342181.v1
title: Additional file 2 of Prevalence, awareness and control of type 2 diabetes mellitus and risk factors in Chinese elderly population

description: Additional file 2: Table 2. Prevalence, awareness, and control of T2DM among adults aged 65 and older in Wuhan. Notes: T2DM, type 2 diabetes mellitus; CI, confidence interval; BMI, body mass index. a Central obesity was defined as waist circumference 90 cm or more in men and 85 cm or more in women. * P &lt; 0.05；** P &lt; 0.01；***P &lt; 0.001; Categorical variables were analyzed by chi-square test.
DOI: 10.6084/m9.figshare.20342178
title: Additional file 1 of Prevalence, awareness and control of type 2 diabetes mellitus and risk factors in Chinese elderly population

description: Additional file 1: Table 1. Sociodemographic characteristics of adults aged 65 and older in Wuhan. Notes: T2DM, type 2 diabetes mellitus; SD, standard deviation; BMI, body mass index; SBP, systolic blood pressure; DBP, diastolic blood pressure; WC, waist circumference; FBG, fasting plasma glucose. * P &lt; 0.05；** P &lt; 0.01；***P &lt; 0.001; Categorical variables were analyzed by chi-square test.
DOI: 10.6084/m9.figshare.20342178.v1
title: Additional file 1 of Prevalence, awareness and control of type 2 diabetes mellitus and risk factors in Chinese elderly population

description: Additional file 1: Table 1. Sociodemographic characteristics of adults aged 65 and older in Wuhan. Notes: T2DM, type 2 diabetes mellitus; SD, standard deviation; BMI, body mass index; SBP, systolic blood pressure; DBP, diastolic blood pressure; WC, waist circumference; FBG, fasting plasma glucose. * P &lt; 0.05；** P &lt; 0.01；***P &lt; 0.001; Categorical variables were analyzed by chi-square test.
DOI: 10.6084/m9.figshare.20342184
title: Additional file 3 of Prevalence, awareness and control of type 2 diabetes mellitus and risk factors in Chinese elderly population

description: Additional file 3: Table 3. Risk factors for the prevalence, awareness, and control of T2DM. Notes: T2DM, type 2 diabetes mellitus; OR, odds ratio; CI, confidence interval; BMI, body mass index. a Multivariate logistic analysis. Model fittings were conducted using stepwise method with a threshold of 0.10 for variable inclusion in the model. b Central obesity was defined as waist circumference 90 cm or more in men and 85 cm or more in women. * P &lt; 0.05；** P &lt; 0.01；***P &lt; 0.001; Variables that were not included in the final logistic regression model were marked with “-”.
DOI: 10.6084/m9.figshare.20342184.v1
title: Additional file 3 of Prevalence, awareness and control of type 2 diabetes mellitus and risk factors in Chinese elderly population

description: Additional file 3: Table 3. Risk factors for the prevalence, awareness, and control of T2DM. Notes: T2DM, type 2 diabetes mellitus; OR, odds ratio; CI, confidence interval; BMI, body mass index. a Multivariate logistic analysis. Model fittings were conducted using stepwise method with a threshold of 0.10 for variable inclusion in the model. b Central obesity was defined as waist circumference 90 cm or more in men and 85 cm or more in women. * P &lt; 0.05；** P &lt; 0.01；***P &lt; 0.001; Variables that were not included in the final logistic regression model were marked with “-”.
DOI: 10.6084/m9.figshare.20342183
title: Additional file 3 of Improvement of macrolactins production by the genetic adaptation of Bacillus siamensis A72 to saline stress via adaptive laboratory evolution

description: Additional file 3. Transcriptome analysis. (Sheet 1) All transcriptome data (3810 different transcripts in total). (Sheet 2) Different expression genes (log2 fold change &gt; 2, q &lt; 0.05). (Sheet 3) Assignment to GO category. (Sheet 4) KEGG Pathway. Genes involving amino acids metabolism from these data were used for the visualization of results presented in Fig. 5A. (Sheet 5) DEGs involving transmembrane transport. (Sheet 6) Accumulated alterations during adaptive laboratory evolution of genome. A file containing DNA mutations in IMD4001 compared to A72.
DOI: 10.6084/m9.figshare.20342183.v1
title: Additional file 3 of Improvement of macrolactins production by the genetic adaptation of Bacillus siamensis A72 to saline stress via adaptive laboratory evolution

description: Additional file 3. Transcriptome analysis. (Sheet 1) All transcriptome data (3810 different transcripts in total). (Sheet 2) Different expression genes (log2 fold change &gt; 2, q &lt; 0.05). (Sheet 3) Assignment to GO category. (Sheet 4) KEGG Pathway. Genes involving amino acids metabolism from these data were used for the visualization of results presented in Fig. 5A. (Sheet 5) DEGs involving transmembrane transport. (Sheet 6) Accumulated alterations during adaptive laboratory evolution of genome. A file containing DNA mutations in IMD4001 compared to A72.
DOI: 10.25824/redu/cpkwuc
title: Articulated_Truss_Slug.rar

description: :unav
DOI: 10.25824/redu/qhg1fs
title: Experimental database of air-water slug flow in inclined pipes: from zero to ninety degrees

description: Experimental data for air-water slug flow in inclined pipe with different orientations, including data from zero to ninety degrees. It contains data for bubble and liquid slug lengths, bubble and liquid slug velocities, frequency, pressure and pressure gradient, and volumetric void fraction. Both raw and processed data are available.
DOI: 10.6084/m9.figshare.20342186
title: Additional file 4 of Improvement of macrolactins production by the genetic adaptation of Bacillus siamensis A72 to saline stress via adaptive laboratory evolution

description: Additional file 4. Intracellular amino acids metabolome analysis. These data were used for the visualization of results presented in Fig. 5B.
DOI: 10.6084/m9.figshare.20342186.v1
title: Additional file 4 of Improvement of macrolactins production by the genetic adaptation of Bacillus siamensis A72 to saline stress via adaptive laboratory evolution

description: Additional file 4. Intracellular amino acids metabolome analysis. These data were used for the visualization of results presented in Fig. 5B.
DOI: 10.6084/m9.figshare.19817925
title: Additional file 4 of LINC01806 mediated by STAT1 promotes cell proliferation, migration, invasion, and stemness in non-small cell lung cancer through Notch signaling by miR-4428/NOTCH2 axis

description: Additional file 4: Table S2. Sequences of primers involved in RT-qPCR were listed.
DOI: 10.6084/m9.figshare.19817925.v1
title: Additional file 4 of LINC01806 mediated by STAT1 promotes cell proliferation, migration, invasion, and stemness in non-small cell lung cancer through Notch signaling by miR-4428/NOTCH2 axis

description: Additional file 4: Table S2. Sequences of primers involved in RT-qPCR were listed.
DOI: 10.6084/m9.figshare.19817945
title: Additional file 4 of Two new species of Dugesia (Platyhelminthes, Tricladida, Dugesiidae) from the subtropical monsoon region in Southern China, with a discussion on reproductive modalities

description: Additional file 4.
DOI: 10.6084/m9.figshare.19817945.v1
title: Additional file 4 of Two new species of Dugesia (Platyhelminthes, Tricladida, Dugesiidae) from the subtropical monsoon region in Southern China, with a discussion on reproductive modalities

description: Additional file 4.
DOI: 10.6084/m9.figshare.19817948
title: Additional file 5 of Two new species of Dugesia (Platyhelminthes, Tricladida, Dugesiidae) from the subtropical monsoon region in Southern China, with a discussion on reproductive modalities

description: Additional file 5.
DOI: 10.6084/m9.figshare.19817948.v1
title: Additional file 5 of Two new species of Dugesia (Platyhelminthes, Tricladida, Dugesiidae) from the subtropical monsoon region in Southern China, with a discussion on reproductive modalities

description: Additional file 5.
DOI: 10.6084/m9.figshare.12477986
title: Genomics analysis of the steroid estrogen-degrading bacterium <i>Serratia nematodiphila</i> DH-S01

description: At present, the oestrogens detected in the environment have been classified as group 1 carcinogens by the World Health Organization. They have obvious effects on organisms at extremely low environmental concentration (1.0 ng/L) and easily accumulate in the ecosystem, which has adverse effects on the environment and ecological health. The use of microbial degradation to remove steroid estrogens from polluted environments has received increasing attention. In this study, a bacterium capable of degrading 17β-estradiol was isolated from a sewage treatment plant in Jilin, China, and identified as <i>Serratia nematodiphila</i> DH-S01. The results of degradation experiments showed that after culturing the bacteria for 4 days, the degradation rate of oestrone and 17β-estradiol at 15 mg/L reached 93.47% and 93.2%, respectively. Genome-wide sequencing showed that the genome of strain DH-S01 consists of a single circular chromosome, 5,256,558 bp in length, which contains 4,874 predicted coding genes. Based on genome annotation, high abundance genes are related to the metabolism of terpenoids and polyketides. Nine types of sterol- and oestrogen-degrading enzymes were annotated in this strain, and the existence and expression of the enzymes were analyzed by polymerase chain reaction (PCR) and reverse transcription polymerase chain reaction (RT-PCR). Comparative genomic analysis showed that there are genes encoding eight enzymes in the common genes of the four <i>Serratia</i> strains, highlighting the potential of the other three <i>Serratia</i> strains to degrade steroid estrogen.
DOI: 10.6084/m9.figshare.12477986.v1
title: Genomics analysis of the steroid estrogen-degrading bacterium <i>Serratia nematodiphila</i> DH-S01

description: At present, the oestrogens detected in the environment have been classified as group 1 carcinogens by the World Health Organization. They have obvious effects on organisms at extremely low environmental concentration (1.0 ng/L) and easily accumulate in the ecosystem, which has adverse effects on the environment and ecological health. The use of microbial degradation to remove steroid estrogens from polluted environments has received increasing attention. In this study, a bacterium capable of degrading 17β-estradiol was isolated from a sewage treatment plant in Jilin, China, and identified as <i>Serratia nematodiphila</i> DH-S01. The results of degradation experiments showed that after culturing the bacteria for 4 days, the degradation rate of oestrone and 17β-estradiol at 15 mg/L reached 93.47% and 93.2%, respectively. Genome-wide sequencing showed that the genome of strain DH-S01 consists of a single circular chromosome, 5,256,558 bp in length, which contains 4,874 predicted coding genes. Based on genome annotation, high abundance genes are related to the metabolism of terpenoids and polyketides. Nine types of sterol- and oestrogen-degrading enzymes were annotated in this strain, and the existence and expression of the enzymes were analyzed by polymerase chain reaction (PCR) and reverse transcription polymerase chain reaction (RT-PCR). Comparative genomic analysis showed that there are genes encoding eight enzymes in the common genes of the four <i>Serratia</i> strains, highlighting the potential of the other three <i>Serratia</i> strains to degrade steroid estrogen.
DOI: 10.6084/m9.figshare.25270012
title: Data-driven Design of High Pressure Hydride Superconductors using DFT and Deep Learning

description: Data and code associated with "Data-driven Design of High Pressure Hydride Superconductors using DFT and Deep Learning" by Daniel Wines and Kamal Choudhary, https://arxiv.org/abs/2312.12694raw-dft-hydride.tar.gz: Contains all of the raw DFT calculations reported in this study and used to train the ALIGNN modelalignn_hydride.tar.gz: Contains all relevant code and data for training both ALIGNN models presented in this work, one ALIGNN model trained only on hydride data and one trained on hydride+bulk JARVIS superconductor data (pretrained model from https://www.nature.com/articles/s41524-022-00933-1). The best pretrained models are provided for future use.ALIGNN_FF_hydride.ipynb: A notebook that uses ALIGNN-FF and ASE FIRE optimizer to optimize structures under pressure and predict Tc of the relaxed structures with the ALIGNN Tc models.phasediagram.tar.gz: Code and formation/total energy data (in eV/atom) to compute phase diagrams for selected systems.
DOI: 10.6084/m9.figshare.25281136
title: Database: Data analytics and Artificial Neural Network framework to profile academic success: Case Study of Leaders of Tomorrow Program

description: Database for the article: <b>Data analytics and </b><b>Artificial Neural Network</b><b> </b><b>framework to profile academic success: Case Study of Leaders of Tomorrow Progra</b><b>m</b>
DOI: 10.6084/m9.figshare.25281136.v1
title: Database: Data analytics and Artificial Neural Network framework to profile academic success: Case Study of Leaders of Tomorrow Program

description: Database for the article: <b>Data analytics and </b><b>Artificial Neural Network</b><b> </b><b>framework to profile academic success: Case Study of Leaders of Tomorrow Progra</b><b>m</b>
DOI: 10.6084/m9.figshare.13526613
title: Model Averaging for Nonlinear Regression Models

description: This article considers the problem of model averaging for regression models that can be nonlinear in their parameters and variables. We consider a nonlinear model averaging (NMA) framework and propose a weight-choosing criterion, the nonlinear information criterion (NIC). We show that up to a constant, NIC is an asymptotically unbiased estimator of the risk function under nonlinear settings with some mild assumptions. We also prove the optimality of NIC and show the convergence of the model averaging weights. Monte Carlo experiments reveal that NMA leads to relatively lower risks compared with alternative model selection and model averaging methods in most situations. Finally, we apply the NMA method to predicting the individual wage, where our approach leads to the lowest prediction errors in most cases.
DOI: 10.6084/m9.figshare.13526613.v2
title: Model Averaging for Nonlinear Regression Models

description: This article considers the problem of model averaging for regression models that can be nonlinear in their parameters and variables. We consider a nonlinear model averaging (NMA) framework and propose a weight-choosing criterion, the nonlinear information criterion (NIC). We show that up to a constant, NIC is an asymptotically unbiased estimator of the risk function under nonlinear settings with some mild assumptions. We also prove the optimality of NIC and show the convergence of the model averaging weights. Monte Carlo experiments reveal that NMA leads to relatively lower risks compared with alternative model selection and model averaging methods in most situations. Finally, we apply the NMA method to predicting the individual wage, where our approach leads to the lowest prediction errors in most cases.
DOI: 10.6084/m9.figshare.13526613.v1
title: Model Averaging for Nonlinear Regression Models*

description: This paper considers the problem of model averaging for regression models that can be nonlinear in their parameters and variables. We consider a nonlinear model averaging (NMA) framework and propose a weight-choosing criterion, the nonlinear information criterion (NIC). We show that up to a constant, NIC is an asymptotically unbiased estimator of the risk function under nonlinear settings with some mild assumptions. We also prove the optimality of NIC and show the convergence of the model averaging weights. Monte Carlo experiments reveal that NMA leads to relatively lower risks compared with alternative model selection and model averaging methods in most situations. Finally, we apply the NMA method to predicting the individual wage, where our approach leads to the lowest prediction errors in most cases.
DOI: 10.6084/m9.figshare.14575199
title: Sema4D correlates with tumour immune infiltration and is a prognostic biomarker in bladder cancer, renal clear cell carcinoma, melanoma and thymoma

description: Sema4D, a member of the immune semaphorin family, plays crucial roles in the immune regulation, bone resorption and nervous system. It is also involved in angiogenesis and tumour progression. However, systemic studies on the correlation between Sema4D expression and the immune infiltration or clinical outcomes in tumours are still limited. Here, we analysed the landscape of Sema4D expression and its prognostic value in the cancer genome atlas pan-cancer as well as the correlation between Sema4D and immune cell infiltration by Tumour Immune Estimation Resource and Gene Expression Profiling interactive analysis online tools. Results showed that a higher Sema4D expression was significantly correlated with a favourable overall survival in diverse solid tumours including bladder cancer (Hazards Ratio (HR)=0.68, <i>p</i> = .0095), kidney renal clear cell carcinoma (HR = 0.61, <i>p</i> = .0016), melanoma (HR = 0.58, <i>p</i> = 6.6e-05) and thymoma (HR = 0.1, <i>p</i> = .011). Interestingly, Sema4D expression has positive correlation with various tumour infiltrating immune cells and immune cell biomarkers in these tumours. These results suggest that Sema4D could be a prospective biomarker for calculating hazard ratio of tumour patients and their tumour immune infiltration levels.
DOI: 10.6084/m9.figshare.14575199.v1
title: Sema4D correlates with tumour immune infiltration and is a prognostic biomarker in bladder cancer, renal clear cell carcinoma, melanoma and thymoma

description: Sema4D, a member of the immune semaphorin family, plays crucial roles in the immune regulation, bone resorption and nervous system. It is also involved in angiogenesis and tumour progression. However, systemic studies on the correlation between Sema4D expression and the immune infiltration or clinical outcomes in tumours are still limited. Here, we analysed the landscape of Sema4D expression and its prognostic value in the cancer genome atlas pan-cancer as well as the correlation between Sema4D and immune cell infiltration by Tumour Immune Estimation Resource and Gene Expression Profiling interactive analysis online tools. Results showed that a higher Sema4D expression was significantly correlated with a favourable overall survival in diverse solid tumours including bladder cancer (Hazards Ratio (HR)=0.68, <i>p</i> = .0095), kidney renal clear cell carcinoma (HR = 0.61, <i>p</i> = .0016), melanoma (HR = 0.58, <i>p</i> = 6.6e-05) and thymoma (HR = 0.1, <i>p</i> = .011). Interestingly, Sema4D expression has positive correlation with various tumour infiltrating immune cells and immune cell biomarkers in these tumours. These results suggest that Sema4D could be a prospective biomarker for calculating hazard ratio of tumour patients and their tumour immune infiltration levels.