cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.11997951
title: Supporting Information for "A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization"

description: COCONUT_Compounds.sdf, ChEMBL_Compounds.csv and REAL_Compounds.csv contain the curated structures of drug-like subsets from those major compound data sets. All files contain the following information for each compound: identification number (ID), simplified molecular input line entry system (Smiles), Average Molecular Weight (AMW), partition coefficient octanol/water (SlogP), number of hydrogen bond donors (HBD), number of hydrogen bond acceptors (HBA), number of rotatable bonds (RB), topological polar surface area (TPSA), fraction of sp3 carbons(FractionCSP3), fraction of chiral carbons (FractionCC), number of generated fragments (NFragments) and a list of the fragments obtained if any (LFragments).<br>COCONUT_Fragments.sdf, ChEMBL_Fragments.csv and REAL_Fragments.csv contain the structures generated from the respective compound data sets. All files include the following information for each fragment: identification number (ID), source collection (Data Set), simplified molecular input line entry system (Fragment), belonging to one (Unique) or the three data sets (Overlapped), number of compounds containing that fragment in the data set (Counts) and fraction of them (Proportion), fraction of sp3 carbons (FractionCSP3), fraction of chiral carbons (FractionCC), number of heavy atoms (NumHeavyAtoms), number of oxygen atoms (NumO), number of nitrogen atoms (NumN), number of bridgehead atoms (NumBridgeHead), number of spiro atoms (NumSpiro), number of rings (NumRings), number of aromatic rings (NumArRings), number of aliphatic rings (NumAlRings), number of heterocycles (NumHet), number of aromatic heterocycles (NumArHet) and number of aliphatic heterocycles (NumAlHet).<br>SB-DFPs.csv contains Statistical-Based Database Fingerprints for COCONUT and REAL data sets. The file includes the value for each bit for a Morgan fingerprint of radius 2 (1024-bits) according to RDKit algorithm as well as the empirical minimum and maximum Tanimoto similarity values used for scaling of the data (MinSimilarity and MaxSimilarity).
DOI: 10.6084/m9.figshare.11997954
title: Tugas hospitality covid-19.docx

description: Pendapat tentang COVID-19
DOI: 10.6084/m9.figshare.11997954.v1
title: Tugas hospitality covid-19.docx

description: Pendapat tentang COVID-19
DOI: 10.6084/m9.figshare.11997951.v1
title: Supporting Information for "A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization"

description: COCONUT_Compounds.sdf, ChEMBL_Compounds.csv and REAL_Compounds.csv contain the curated structures of drug-like subsets from those major compound data sets. All files contain the following information for each compound: identification number (ID), simplified molecular input line entry system (Smiles), Average Molecular Weight (AMW), partition coefficient octanol/water (SlogP), number of hydrogen bond donors (HBD), number of hydrogen bond acceptors (HBA), number of rotatable bonds (RB), topological polar surface area (TPSA), fraction of sp3 carbons(FractionCSP3), fraction of chiral carbons (FractionCC), number of generated fragments (NFragments) and a list of the fragments obtained inf any (LFragments).<br>COCONUT_Fragments.sdf, ChEMBL_Fragments.csv and REAL_Fragments.csv contain the structures generated from the respective compound data sets. All files include the following information for each fragment: identification number (ID), source collection (Data Set), simplified molecular input line entry system (Fragment), uniqueness (Unique), number of compounds containing that fragment in the data set (Counts) and fraction of them (Proportion), fraction of sp3 carbons (FractionCSP3) and fraction of chiral carbons (FractionCC).FRAG8718983,COCONUT,*O,False,19145,0.1006894955795497,0.0,0.0<br>
DOI: 10.6084/m9.figshare.11997927
title: Implementation of a Best Practice in Cardiology (BPC) Program Adapted from Get With The Guidelines®in Brazilian Public Hospitals: Study Design and Rationale

description: Abstract Background There are substantial opportunities to improve the quality of cardiovascular care in developing countries through the implementation of a quality program. Objective To evaluate the effect of a Best Practice in Cardiology (BPC) program on performance measures and patient outcomes related to heart failure, atrial fibrillation and acute coronary syndromes in a subset of Brazilian public hospitals. Methods The Boas Práticas em Cardiologia (BPC) program was adapted from the American Heart Association’s (AHA) Get With The Guidelines (GWTG) Program for use in Brazil. The program is being started simultaneously in three care domains (acute coronary syndrome, atrial fibrillation and heart failure), which is an approach that has never been tested within the GWTG. There are six axes of interventions borrowed from knowledge translation literature that will address local barriers identified through structured interviews and regular audit and feedback meetings. The intervention is planned to include at least 10 hospitals and 1,500 patients per heart condition. The primary endpoint includes the rates of overall adherence to care measures recommended by the guidelines. Secondary endpoints include the effect of the program on length of stay, overall and specific mortality, readmission rates, quality of life, patients’ health perception and patients’ adherence to prescribed interventions. Results It is expected that participating hospitals will improve and sustain their overall adherence rates to evidence-based recommendations and patient outcomes. This is the first such cardiovascular quality improvement (QI) program in South America and will provide important information on how successful programs from developed countries like the United States can be adapted to meet the needs of countries with developing economies like Brazil. Also, a successful program will give valuable information for the development of QI programs in other developing countries. Conclusions This real-world study provides information for assessing and increasing adherence to cardiology guidelines in Brazil, as well as improvements in care processes. (Arq Bras Cardiol. 2019; xx(x):xxx-xxx)
DOI: 10.6084/m9.figshare.11997951.v2
title: Supporting Information for "A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization"

description: COCONUT_Compounds.sdf, ChEMBL_Compounds.csv and REAL_Compounds.csv contain the curated structures of drug-like subsets from those major compound data sets. All files contain the following information for each compound: identification number (ID), simplified molecular input line entry system (Smiles), Average Molecular Weight (AMW), partition coefficient octanol/water (SlogP), number of hydrogen bond donors (HBD), number of hydrogen bond acceptors (HBA), number of rotatable bonds (RB), topological polar surface area (TPSA), fraction of sp3 carbons(FractionCSP3), fraction of chiral carbons (FractionCC), number of generated fragments (NFragments) and a list of the fragments obtained inf any (LFragments).<br>COCONUT_Fragments.sdf, ChEMBL_Fragments.csv and REAL_Fragments.csv contain the structures generated from the respective compound data sets. All files include the following information for each fragment: identification number (ID), source collection (Data Set), simplified molecular input line entry system (Fragment), uniqueness (Unique), number of compounds containing that fragment in the data set (Counts) and fraction of them (Proportion), fraction of sp3 carbons (FractionCSP3) and fraction of chiral carbons (FractionCC).<br>SB-DFPs contains Statistical-Based Database Fingerprints for COCONUT and REAL data sets. The file includes the value for each bit for a Morgan fingerprint of radius 2 (1024-bits) according to RDKit algorithm as well as the empirical minimum and maximum Tanimoto similarity values used for scaling of the data (MinSimilarity and MaxSimilarity).
DOI: 10.6084/m9.figshare.11997927.v1
title: Implementation of a Best Practice in Cardiology (BPC) Program Adapted from Get With The Guidelines®in Brazilian Public Hospitals: Study Design and Rationale

description: Abstract Background There are substantial opportunities to improve the quality of cardiovascular care in developing countries through the implementation of a quality program. Objective To evaluate the effect of a Best Practice in Cardiology (BPC) program on performance measures and patient outcomes related to heart failure, atrial fibrillation and acute coronary syndromes in a subset of Brazilian public hospitals. Methods The Boas Práticas em Cardiologia (BPC) program was adapted from the American Heart Association’s (AHA) Get With The Guidelines (GWTG) Program for use in Brazil. The program is being started simultaneously in three care domains (acute coronary syndrome, atrial fibrillation and heart failure), which is an approach that has never been tested within the GWTG. There are six axes of interventions borrowed from knowledge translation literature that will address local barriers identified through structured interviews and regular audit and feedback meetings. The intervention is planned to include at least 10 hospitals and 1,500 patients per heart condition. The primary endpoint includes the rates of overall adherence to care measures recommended by the guidelines. Secondary endpoints include the effect of the program on length of stay, overall and specific mortality, readmission rates, quality of life, patients’ health perception and patients’ adherence to prescribed interventions. Results It is expected that participating hospitals will improve and sustain their overall adherence rates to evidence-based recommendations and patient outcomes. This is the first such cardiovascular quality improvement (QI) program in South America and will provide important information on how successful programs from developed countries like the United States can be adapted to meet the needs of countries with developing economies like Brazil. Also, a successful program will give valuable information for the development of QI programs in other developing countries. Conclusions This real-world study provides information for assessing and increasing adherence to cardiology guidelines in Brazil, as well as improvements in care processes. (Arq Bras Cardiol. 2019; xx(x):xxx-xxx)
DOI: 10.6084/m9.figshare.11997921
title: EPIDEMIOLOGICAL PROFILE AND OUTCOMES IN POSTOPERATIVE NEUROMUSCULAR ESCOLIOSIS

description: ABSTRACT Objective To outline the epidemiological profile and identify the hospital outcomes of patients submitted to neuromuscular scoliosis correction surgery. Methods This was a descriptive study that included 50 patients hospitalized following surgery for neuromuscular scoliosis in a tertiary-level hospital in São Paulo from January 2017 to July 2017. The variables were collected retrospectively from the patients’ medical records: age, sex, main diagnosis, length of hospital stay, duration of surgery, hospital complications, and mobility. Results Surgeries were performed in boys and girls in similar proportions, adolescents, many with cerebral palsy (42%), with mean hospital stay of 10.8 days. Fifty-two percent presented some complication, such as constipation. Infection of the surgical site was present in 12% of the sample. Forty-two percent had moderate to intense pain and only 2% did not achieve the proposed mobility goals. Conclusion We observed that the epidemiological profile presented data consistent with the scarce literature available, while the definitions of complications, incidence, and hospital outcomes available in the literature were varied quite a bit from the findings in this study. Level of evidence III; Retrospective study.
DOI: 10.6084/m9.figshare.11997951.v3
title: Supporting Information for "A Fragment Library of Natural Products and its Comparative Chemoinformatic Characterization"

description: COCONUT_Compounds.sdf, ChEMBL_Compounds.csv and REAL_Compounds.csv contain the curated structures of drug-like subsets from those major compound data sets. All files contain the following information for each compound: identification number (ID), simplified molecular input line entry system (Smiles), Average Molecular Weight (AMW), partition coefficient octanol/water (SlogP), number of hydrogen bond donors (HBD), number of hydrogen bond acceptors (HBA), number of rotatable bonds (RB), topological polar surface area (TPSA), fraction of sp3 carbons(FractionCSP3), fraction of chiral carbons (FractionCC), number of generated fragments (NFragments) and a list of the fragments obtained if any (LFragments).<br>COCONUT_Fragments.sdf, ChEMBL_Fragments.csv and REAL_Fragments.csv contain the structures generated from the respective compound data sets. All files include the following information for each fragment: identification number (ID), source collection (Data Set), simplified molecular input line entry system (Fragment), uniqueness (Unique), number of compounds containing that fragment in the data set (Counts) and fraction of them (Proportion), fraction of sp3 carbons (FractionCSP3) and fraction of chiral carbons (FractionCC).<br>SB-DFPs.csv contains Statistical-Based Database Fingerprints for COCONUT and REAL data sets. The file includes the value for each bit for a Morgan fingerprint of radius 2 (1024-bits) according to RDKit algorithm as well as the empirical minimum and maximum Tanimoto similarity values used for scaling of the data (MinSimilarity and MaxSimilarity).
DOI: 10.25345/c5w17k
title: MassIVE MSV000086012 - GNPS - SD Zoo - Rhino fecal samples 2019 - QTOF
title: Small molecule analysis of Rhino fecal extracts, standard methanol extraction. Data were acquired using a Bruker Maxis Impact MS and C18 RP-UHPLC. Positive polarity acquisition of LC-MS/MS.
DOI: 10.6084/m9.figshare.11997921.v1
title: EPIDEMIOLOGICAL PROFILE AND OUTCOMES IN POSTOPERATIVE NEUROMUSCULAR ESCOLIOSIS

description: ABSTRACT Objective To outline the epidemiological profile and identify the hospital outcomes of patients submitted to neuromuscular scoliosis correction surgery. Methods This was a descriptive study that included 50 patients hospitalized following surgery for neuromuscular scoliosis in a tertiary-level hospital in São Paulo from January 2017 to July 2017. The variables were collected retrospectively from the patients’ medical records: age, sex, main diagnosis, length of hospital stay, duration of surgery, hospital complications, and mobility. Results Surgeries were performed in boys and girls in similar proportions, adolescents, many with cerebral palsy (42%), with mean hospital stay of 10.8 days. Fifty-two percent presented some complication, such as constipation. Infection of the surgical site was present in 12% of the sample. Forty-two percent had moderate to intense pain and only 2% did not achieve the proposed mobility goals. Conclusion We observed that the epidemiological profile presented data consistent with the scarce literature available, while the definitions of complications, incidence, and hospital outcomes available in the literature were varied quite a bit from the findings in this study. Level of evidence III; Retrospective study.
DOI: 10.6084/m9.figshare.11997900
title: ANRIL rs1333049 C/G polymorphism and coronary artery disease in a North Indian population - Gender and age specific associations

description: Abstract Many studies conducted worldwide substantiate a role of genetic polymorphisms in non-coding regions linked with coronary artery disease (CAD). One such single nucleotide polymorphism (SNP) of a non-coding RNA in the INK4 locus (ANRIL) i.e. rs1333049 C/G in the vicinity of cell cycle regulating genes is documented to have a role in CAD risk. In this study we aimed to determine the association of ANRIL rs1333049 C/G with CAD in a North Indian population. Five hundred disease free controls and 500 CAD patients were genotyped using allele specific ARMS-PCR method. High risk association of rs1333049 was seen in both heterozygous and mutant genotypes (OR=2.883, 95% CI=1.475-5.638 and p=0.002 and OR=6.717, 95% CI=3.444-13.102 and p &lt; 0.001 respectively). Gender stratified analysis revealed risk association in both heterozygous and mutant genotypes in males. However, risk association in the mutant genotype and females was documented. Similarly, risk association was seen in subjects above 40 years of age in heterozygous and mutant genotypes. Similarly, risk association was reported in obese, sedentary lifestyle, positive family history and smoking in the heterozygous and mutant genotype and with diabetes in the mutant GG genotype. The study revealed high risk association of ANRIL rs1333049 with CAD and other risk factors.
DOI: 10.6084/m9.figshare.11997906
title: Comparative efficiency analysis of real exhaust system in an electrofusion process

description: ABSTRACT In this work, we analyzed the performance of a particulate matter exhaust system of a real electrofusion production process. Particularly, we performed particle size distribution analysis at different stages of the process. Using particle size distribution data, cyclone operation efficiency was evaluated by comparing it with design efficiency - in addition, cyclone efficiency was also calculated based on the mass balance of the entire process. Despite some measures taken by the company in order to improve the exhaust system efficiency, results indicate cyclone efficiency of around 50%, and particulate matter loss to atmosphere of 1t at each batch of the process. This paper presented in detail the steps of the efficiency analysis of the exhaust system, particularly the cyclone, and the proposed cyclone resizing.
DOI: 10.6084/m9.figshare.11997900.v1
title: ANRIL rs1333049 C/G polymorphism and coronary artery disease in a North Indian population - Gender and age specific associations

description: Abstract Many studies conducted worldwide substantiate a role of genetic polymorphisms in non-coding regions linked with coronary artery disease (CAD). One such single nucleotide polymorphism (SNP) of a non-coding RNA in the INK4 locus (ANRIL) i.e. rs1333049 C/G in the vicinity of cell cycle regulating genes is documented to have a role in CAD risk. In this study we aimed to determine the association of ANRIL rs1333049 C/G with CAD in a North Indian population. Five hundred disease free controls and 500 CAD patients were genotyped using allele specific ARMS-PCR method. High risk association of rs1333049 was seen in both heterozygous and mutant genotypes (OR=2.883, 95% CI=1.475-5.638 and p=0.002 and OR=6.717, 95% CI=3.444-13.102 and p &lt; 0.001 respectively). Gender stratified analysis revealed risk association in both heterozygous and mutant genotypes in males. However, risk association in the mutant genotype and females was documented. Similarly, risk association was seen in subjects above 40 years of age in heterozygous and mutant genotypes. Similarly, risk association was reported in obese, sedentary lifestyle, positive family history and smoking in the heterozygous and mutant genotype and with diabetes in the mutant GG genotype. The study revealed high risk association of ANRIL rs1333049 with CAD and other risk factors.
DOI: 10.6084/m9.figshare.11997906.v1
title: Comparative efficiency analysis of real exhaust system in an electrofusion process

description: ABSTRACT In this work, we analyzed the performance of a particulate matter exhaust system of a real electrofusion production process. Particularly, we performed particle size distribution analysis at different stages of the process. Using particle size distribution data, cyclone operation efficiency was evaluated by comparing it with design efficiency - in addition, cyclone efficiency was also calculated based on the mass balance of the entire process. Despite some measures taken by the company in order to improve the exhaust system efficiency, results indicate cyclone efficiency of around 50%, and particulate matter loss to atmosphere of 1t at each batch of the process. This paper presented in detail the steps of the efficiency analysis of the exhaust system, particularly the cyclone, and the proposed cyclone resizing.
DOI: 10.6084/m9.figshare.11997897
title: Remediation of contaminated sites: a critical analysis of Brazilian legislation

description: ABSTRACT This study aimed to critically examine the Brazilian legislation that regulates the theme of contaminated areas. The legislation of São Paulo State was also assessed because this state was the pioneer in facing the problem. This study’s methodology involves a qualitative overview of the bibliography, using both international and national legal doctrine, as well as websites. It was concluded that a national consensus regarding the concept of soil is required; the Brazilian and São Paulo State legislations, by adopting rules and guidelines established in the developed countries, failed to disregard Brazilian reality and specificities; the participation of the community involved at all stages of the remediation process is essential; the decision-making should not be based solely on the generic quality soil standards, but also on the ecological and human health risk analyses at a specific contaminated site.
DOI: 10.6084/m9.figshare.11997891
title: Effects of storage on vis-NIR-SWIR reflectance spectra of Mombasa grass leaf samples

description: ABSTRACT: Vis-NIR-SWIR reflectance spectra of leaf samples, collected in the laboratory, allow the calibration of predictive models to quantify their physicochemical attributes in a practical manner and without producing chemical residues. This technique should enable the development of management strategies for intensification of pasture use. However, spectral analysis performed in the laboratory may be affected by the deterioration of plant material during transport from the field to the lab, so storage methods are necessary. This research aimed to evaluate the effects of different storage methods on the spectral response of Mombasa grass leaves. Three methods were evaluated: (i) artificially refrigerated environment, (ii) humid environment, and (iii) without microenvironment control. These methods were tested in five different storage times: 2 hours, 4 hours, 8 hours, 24 hours and 48 hours. The spectral behavior of the leaves still inserted in the plant was used as a quality reference. Results showed notable changes at the earliest storage time for the treatment without microenvironment control. Both methods with microenvironment control stabilized the occurrence of spectral changes over 48 hours of the samples storage, thus both were suggested for this species.
DOI: 10.6084/m9.figshare.11997897.v1
title: Remediation of contaminated sites: a critical analysis of Brazilian legislation

description: ABSTRACT This study aimed to critically examine the Brazilian legislation that regulates the theme of contaminated areas. The legislation of São Paulo State was also assessed because this state was the pioneer in facing the problem. This study’s methodology involves a qualitative overview of the bibliography, using both international and national legal doctrine, as well as websites. It was concluded that a national consensus regarding the concept of soil is required; the Brazilian and São Paulo State legislations, by adopting rules and guidelines established in the developed countries, failed to disregard Brazilian reality and specificities; the participation of the community involved at all stages of the remediation process is essential; the decision-making should not be based solely on the generic quality soil standards, but also on the ecological and human health risk analyses at a specific contaminated site.