cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2bvp85
title: CCDC 2170597: Experimental Crystal Structure Determination

description: Related Article: Krishna Kumar, Anand K. Agrahari, Rajesh Pratap, Vinod K. Tiwari, Subrato Bhattacharya|2022|New J.Chem.|46|18471|doi:10.1039/D2NJ03433F
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.cc2bvp74
title: CCDC 2170596: Experimental Crystal Structure Determination

description: Related Article: Krishna Kumar, Anand K. Agrahari, Rajesh Pratap, Vinod K. Tiwari, Subrato Bhattacharya|2022|New J.Chem.|46|18471|doi:10.1039/D2NJ03433F
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.cc2bvp96
title: CCDC 2170598: Experimental Crystal Structure Determination

description: Related Article: Krishna Kumar, Anand K. Agrahari, Rajesh Pratap, Vinod K. Tiwari, Subrato Bhattacharya|2022|New J.Chem.|46|18471|doi:10.1039/D2NJ03433F
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.cc2c1sbk
title: CCDC 2176458: Experimental Crystal Structure Determination

description: Related Article: Krishna Kumar, Anand K. Agrahari, Rajesh Pratap, Vinod K. Tiwari, Subrato Bhattacharya|2022|New J.Chem.|46|18471|doi:10.1039/D2NJ03433F
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.cc2d1kpq
title: CCDC 2206043: Experimental Crystal Structure Determination

description: Related Article: Gregory S. Hamilton, Takashi Tsukamoto, Dana V. Ferraris, Bridget Duvall, Rena Lapidus|2015|U.S.Patents|||
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.cc2d1xq3
title: CCDC 2206385: Experimental Crystal Structure Determination

description: Related Article: P. Priyanka, B.K. Jayanna, H. Kiran Kumar, H.S. Yathirajan, T.R. Divakara, S. Foro, R.J. Butcher|2022|IUCrData|7|x220904|doi:10.1107/S241431462200904X
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.cc2d4tw8
title: CCDC 2209180: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold|2022|CSD Communication|||
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.cc2d4tx9
title: CCDC 2209181: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold|2022|CSD Communication|||
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.cc2d542t
title: CCDC 2209465: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold and James A.Golen|2022|CSD Communication|||
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.cc2d4ydx
title: CCDC 2209289: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold|2022|CSD Communication|||
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.cc2d4yfy
title: CCDC 2209290: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold|2022|CSD Communication|||
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: 10.48667/6p1n-w007
title: The NASA Ames PAH IR Spectroscopic Database

description: The astronomical emission features, formerly dubbed the unidentified infrared bands, are now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory experiments and computational modeling done at the NASA Ames Research Center to create an unrivaled collection of PAH IR spectra relevant to test and refine the PAH hypothesis have been assembled into a spectroscopic database. This database contains the laboratory-measured and density-functional-theory-computed spectra of over 4,000 PAHs and PAH clusters. Online and offline Python/IDL tools are available to work with the data.
DOI: 10.34740/kaggle/dsv/3939303
title: Used_CarDataset_UAE
DOI: 10.6084/m9.figshare.21268179
title: 47 A-InDel loci genotyped from Han Dong Yi and Chuanqing in Southwest China.xlsx

description: We genotyped the 47 autosomal InDels of 592 Guizhou individuals from four populations, Han, Dong, Yi and Chuanqing, genotyped via the AGCU InDel 50 kit.
DOI: 10.6084/m9.figshare.21268179.v1
title: 47 A-InDel loci genotyped from Han Dong Yi and Chuanqing in Southwest China.xlsx

description: We genotyped the 47 autosomal InDels of 592 Guizhou individuals from four populations, Han, Dong, Yi and Chuanqing, genotyped via the AGCU InDel 50 kit.
DOI: 10.34740/kaggle/dsv/4280739
title: CVimages
DOI: 10.34740/kaggle/dsv/3555682
title: Social Media Addiction
DOI: 10.6084/m9.figshare.20449518
title: Dataset of "Effects of Surface Wave-induced Mixing and Wave-affected Exchange Coefficients on Tropical Cyclones"

description: Numerical simulation results for typhoon Shanshan and Megi using a coupled ocean-atmosphere-wave model.
DOI: 10.6084/m9.figshare.20449518.v2
title: Dataset of "Effects of Surface Wave-induced Mixing and Wave-affected Exchange Coefficients on Tropical Cyclones"

description: Numerical simulation results for typhoon Shanshan and Megi using a coupled ocean-atmosphere-wave model.
DOI: 10.6084/m9.figshare.20449518.v1
title: Dataset of "Effects of surface waves on tropical cyclones"

description: Numerical simulation results for typhoon Shanshan and Megi using a coupled ocean-atmosphere-wave model.
DOI: 10.34740/kaggle/dsv/4280878
title: CVimages
DOI: 10.17632/26cy79sv84.1
title: Dataset for Neural Network

description: This is the dataset for the manuscript named with "Neural Network Establish Co-Occurrence Links between Transformation Products of Contaminants and Soil Microbiomes". Quantitative data of HRMS were provided here. The abstract for the manuscript is as following: It is still challenging for ecologists and environmentalists to identify which microorganisms are carrying out specific metabolic processes in the natural environment, even though stable isotope probing (e.g., DNA-SIP) could link degraders and their substrates. As a new strategy, we combined the use of a network-based algorithm, MMvec, and our developed 2H-labeled Stable Isotope-Assisted Metabolomics pipeline (2H-SIAM) to discover links between transformation products (TPs) of the contaminant and microbes in soils. Abiotic stresses were firstly used to constitute the assembly of soil microbiomes, characterized by 16S rRNA gene sequencing. Pyrene and pyrene-d10 were added into soils for biodegradation, and 2H-SIAM was used to obtain TPs of pyrene. Then, MMvec was used to establish a co-occurrence network between TPs and microbiomes. The results confirmed the role of Pseudomonas and Phenylobacterium in the oxidation, mineralization, and methylation of pyrene. Sphingomonas and phylum Acidobacteria contributed to the oxidation of pyrene. The obtained co-occurrence network was markedly following the reports studied by DNA-SIP, indicating the performance and reliability of the co-occurrence network. In summary, we firstly depict the links between TPs and microbes in the environment matrix, which exhibits unique advantages comparing to the other isotope-based approaches..
DOI: 10.17632/26cy79sv84.2
title: Dataset for Neural Network

description: This is the dataset for the manuscript named with "Neural Network Establish Co-Occurrence Links between Transformation Products of Contaminants and Soil Microbiomes". Quantitative data of HRMS were provided here. The abstract for the manuscript is as following: It is still challenging for ecologists and environmentalists to identify which microorganisms are carrying out specific metabolic processes in the natural environment, even though stable isotope probing (e.g., DNA-SIP) could link degraders and their substrates. As a new strategy, we combined the use of a network-based algorithm, MMvec, and our developed 2H-labeled Stable Isotope-Assisted Metabolomics pipeline (2H-SIAM) to discover links between transformation products (TPs) of the contaminant and microbes in soils. Abiotic stresses were firstly used to constitute the assembly of soil microbiomes, characterized by 16S rRNA gene sequencing. Pyrene and pyrene-d10 were added into soils for biodegradation, and 2H-SIAM was used to obtain TPs of pyrene. Then, MMvec was used to establish a co-occurrence network between TPs and microbiomes. The results confirmed the role of Pseudomonas and Phenylobacterium in the oxidation, mineralization, and methylation of pyrene. Sphingomonas and phylum Acidobacteria contributed to the oxidation of pyrene. The obtained co-occurrence network was markedly following the reports studied by DNA-SIP, indicating the performance and reliability of the co-occurrence network. In summary, we firstly depict the links between TPs and microbes in the environment matrix, which exhibits unique advantages comparing to the other isotope-based approaches..
The installation of the MMvec please refer to https://github.com/biocore/mmvec.
In this study, the MMvec was carried out in qiime2-2020.6 platform, and the MMvec was carried out with the codes provided in a .doc document. Additionally, two necessary documents, "lcms_nt.txt" and "otus_nt.txt", for the evaluation of the MMvec are provided here.
DOI: 10.17632/gvx4bwygdz.1
title: Evidence for SARS-CoV-2 Delta and Omicron co-infections and recombination

description: We hypothesized that some individuals may be co-infected by Delta and Omicron, or that some individuals may be infected by a virus resulting from the recombination of Delta and Omicron during a period when the two SARS-CoV-2 variants were co-circulating. 
To identify co-infection and recombinant samples, we looked at the sequencing results of SARS-CoV-2 genomes. We specifically looked and visualized the alternate allele fraction for mutations specific to Delta and mutations specific to Omicron. 

For co-infection samples, we expect that all of the mutations specific to Delta and all of the mutations specific to Omicron be present with complementary alternate allele fractions. While the sequencing of viruses resulting from a recombination will show all of the mutations specific to one variant on the 5'-end and all of the mutations specific to the other variant on the 3'-end. Importantly the alternate allele fraction at each site should be either 0 or 1 for sequences of a virus resulting from a clonal recombination. 

In this repository, we have the python code used to visualize the alternate allele fractions. This code was used to create the figures of our manuscript.
DOI: 10.17632/gvx4bwygdz.2
title: Evidence for SARS-CoV-2 Delta and Omicron co-infections and recombination

description: We hypothesized that some individuals may be co-infected by Delta and Omicron, or that some individuals may be infected by a virus resulting from the recombination of Delta and Omicron during a period when the two SARS-CoV-2 variants were co-circulating. 
To identify co-infection and recombinant samples, we looked at the sequencing results of SARS-CoV-2 genomes. We specifically looked and visualized the alternate allele fraction for mutations specific to Delta and mutations specific to Omicron. 

For co-infection samples, we expect that all of the mutations specific to Delta and all of the mutations specific to Omicron be present with complementary alternate allele fractions. While the sequencing of viruses resulting from a recombination will show all of the mutations specific to one variant on the 5'-end and all of the mutations specific to the other variant on the 3'-end. Importantly the alternate allele fraction at each site should be either 0 or 1 for sequences of a virus resulting from a clonal recombination. 

In this repository, we have the python code used to visualize the alternate allele fractions. This code was used to create the figures of our manuscript.
In this repository, we also have the supplemental tables of the paper, which have all of the raw data that were used to create the figures of the paper.
DOI: 10.6084/m9.figshare.21268533
title: New findings of intestinal alkaline phosphatase: effects on intestinal and organ health of piglets challenged with ETEC F4 (K88)

description: ABSTRACT The aim of this study was to assess the addition of intestinal alkaline phosphatase (IAP) to diets on the count of bacterial populations, pH of digestive organ contents, histopathological description, proinflammatory markers, hepatic glycogen reserve, and diarrhoea incidence of piglets challenged with Escherichia coli. Sixty-four crossbred piglets (7.16±0.28 kg body weight, 25-days-old) were assigned to four treatments in a completely randomised block design: negative control (NC), NC + antibiotic (ANT), NC + 15 mg IAP, or NC + 30 mg IAP kg−1 of diet, eight replications of two piglets per experimental unit. All piglets were orally challenged with 6 mL of a solution containing enterotoxigenic Escherichia coli K88 at 106 CFU mL−1 at 15 days of experimentation. The study lasted for 19 days. At the end of the experimental period, the piglets were slaughtered (six animals per treatment). Enterobacteriaceae in caecum and colon was lower in piglets on 30 mg IAP than with ANT and NC, ANT or 15 mg IAP, respectively. Enterobacteriaceae adhered to the mesenteric lymph nodes (MLN) was greater in piglets fed ANT than the other treatments. Lactic acid bacteria (LAB) count in caecum was greater in piglets fed NC and ANT. In MLN, LAB count was greater in ANT and 30 mg IAP-fed piglets compared with 15 mg IAP. Piglets in 30 mg IAP in diet showed a tendency for lowering tissue necrosis compared with NC or ANT. Piglets fed 30 mg IAP showed a reduction in diarrhoea incidence in the pre- and post-challenge compared with 15 mg IAP and all other treatments, respectively. Based on the criteria, addition of 30 mg IAP to diet inhibits Enterobacteriaceae population and suggests a potential effect in mitigating intestinal injuries, as observed in piglets in the NC for some of the parameters investigated.
DOI: 10.6084/m9.figshare.21268534
title: CLINICAL AND RADIOLOGICAL OUTCOMES OF THE NEUROMUSCULAR SCOLIOSIS TREATMENT WITH S2-ALAR-ILIAC SCREW BY INTRAOPERATIVE NAVIGATION

description: ABSTRACT Objective: Analyze the clinical and radiological aspects of the S2AI screw technique in patients with neuromuscular scoliosis undergoing deformity correction surgery by intraoperative navigation. Methods: Retrospective analysis of medical records of patients undergoing neuromuscular scoliosis correction surgery with the S2-alar-iliac technique between 2017-2020. Results: In the total sample of 35 patients, 18 (51.4%) were female, with an average age of 14.9. The average preoperative coronal curve was 100° ± 26.2, with an average correction of 55% ± 16.3, with an average coronal curve of 44.8°± 19.5 at the end of surgery and 45 ° ± 19.6 at the end of follow-up. The average preoperative pelvic obliquity was 27.9°± 10.9, with a correction rate of 66.1% ± 27.6, being 8.2° ± 5.4 at the end of surgery and 9 .4°± 7.0 at the end of the follow-up. The average of operated levels was 17.3± 0.7. All 70 S2 screws had a diameter of 7mm. The average duration of surgeries was 416 ± 86 minutes, with estimated intraoperative bleeding of 921 ± 394.1 ml. The average density of screws in the sample was 1.3 ± 0.2 screws per level, and the average density in the lumbosacral spine was 1.5 ± 0.2. Conclusions: Intraoperative navigation can contribute to the rate of complications related to the S2AI screw decrease; in addition, the length of this screw appears to have significant relevance in maintaining the correction throughout the follow-up. Level of evidence IV; Case series.
DOI: 10.6084/m9.figshare.21268534.v1
title: CLINICAL AND RADIOLOGICAL OUTCOMES OF THE NEUROMUSCULAR SCOLIOSIS TREATMENT WITH S2-ALAR-ILIAC SCREW BY INTRAOPERATIVE NAVIGATION

description: ABSTRACT Objective: Analyze the clinical and radiological aspects of the S2AI screw technique in patients with neuromuscular scoliosis undergoing deformity correction surgery by intraoperative navigation. Methods: Retrospective analysis of medical records of patients undergoing neuromuscular scoliosis correction surgery with the S2-alar-iliac technique between 2017-2020. Results: In the total sample of 35 patients, 18 (51.4%) were female, with an average age of 14.9. The average preoperative coronal curve was 100° ± 26.2, with an average correction of 55% ± 16.3, with an average coronal curve of 44.8°± 19.5 at the end of surgery and 45 ° ± 19.6 at the end of follow-up. The average preoperative pelvic obliquity was 27.9°± 10.9, with a correction rate of 66.1% ± 27.6, being 8.2° ± 5.4 at the end of surgery and 9 .4°± 7.0 at the end of the follow-up. The average of operated levels was 17.3± 0.7. All 70 S2 screws had a diameter of 7mm. The average duration of surgeries was 416 ± 86 minutes, with estimated intraoperative bleeding of 921 ± 394.1 ml. The average density of screws in the sample was 1.3 ± 0.2 screws per level, and the average density in the lumbosacral spine was 1.5 ± 0.2. Conclusions: Intraoperative navigation can contribute to the rate of complications related to the S2AI screw decrease; in addition, the length of this screw appears to have significant relevance in maintaining the correction throughout the follow-up. Level of evidence IV; Case series.
DOI: 10.6084/m9.figshare.21268536
title: HOUNSFIELD UNITS USE IN SPINAL SURGERY PLANNING: SYSTEMATIC REVIEW AND META-ANALYSIS

description: ABSTRACT Bone mineral density is a crucial factor in the success or failure of osteosynthesis in spine surgery; it shows the onset of osteoporosis and related complications. Its evaluation is verified by dual-energy X-ray absorptiometry (DEXA) and Hounsfield Unit (HU) measurement by CT scan. Objective: Determine the use of HU in surgical planning; compare utility in diagnosing osteoporosis by DEXA; and evaluate sensitivity in predicting complications. Method: A systemic literature review was conducted on PubMed, in line with PRISMA methodology. Including those who justified the use of pre-surgical planning, compared HU/DEXA, and assessed complications. For the statistical analysis, the χ2 was used. Results: 57 articles were identified by selecting nine that met the inclusion criteria. In patients undergoing spinal surgery for fixation and fusion for degenerative pathology, HU measurement showed a prevalence of osteoporosis of 58.5% (sensitivity 93.26%; specificity 90.22%), osteoporosis-associated complications of 24.5%, proper diagnosis of 71.98%, and screw release rate of 82.31%. Conclusions: UH measurement for the diagnosis of osteoporosis turns out to be more sensitive, specific, and predictive compared to DEXA, especially in elderly patients; it represents a useful tool in planning spinal surgery, minimizing the risk of complications such as screw release, fractures, pseudoarthrosis, subsidence of intersomatic devices, and kyphosis of the proximal junction. Level of evidence II; Study Design: Systematic Review and meta-analysis.
DOI: 10.6084/m9.figshare.21268536.v1
title: HOUNSFIELD UNITS USE IN SPINAL SURGERY PLANNING: SYSTEMATIC REVIEW AND META-ANALYSIS

description: ABSTRACT Bone mineral density is a crucial factor in the success or failure of osteosynthesis in spine surgery; it shows the onset of osteoporosis and related complications. Its evaluation is verified by dual-energy X-ray absorptiometry (DEXA) and Hounsfield Unit (HU) measurement by CT scan. Objective: Determine the use of HU in surgical planning; compare utility in diagnosing osteoporosis by DEXA; and evaluate sensitivity in predicting complications. Method: A systemic literature review was conducted on PubMed, in line with PRISMA methodology. Including those who justified the use of pre-surgical planning, compared HU/DEXA, and assessed complications. For the statistical analysis, the χ2 was used. Results: 57 articles were identified by selecting nine that met the inclusion criteria. In patients undergoing spinal surgery for fixation and fusion for degenerative pathology, HU measurement showed a prevalence of osteoporosis of 58.5% (sensitivity 93.26%; specificity 90.22%), osteoporosis-associated complications of 24.5%, proper diagnosis of 71.98%, and screw release rate of 82.31%. Conclusions: UH measurement for the diagnosis of osteoporosis turns out to be more sensitive, specific, and predictive compared to DEXA, especially in elderly patients; it represents a useful tool in planning spinal surgery, minimizing the risk of complications such as screw release, fractures, pseudoarthrosis, subsidence of intersomatic devices, and kyphosis of the proximal junction. Level of evidence II; Study Design: Systematic Review and meta-analysis.