cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.19945327
title: Processamento de catalisadores gastos de unidade de hidrodessulfurização profunda (ultra-deep HDS)

description: PROCESSING OF SPENT ULTRA-DEEP HYDRODESULFURIZATION CATALYSTS. This work discusses the recycling of spent NiMo/Al2O3 catalysts from ultra-deep hydrodesulfurization (HDS) units. They contain a refractory coke and fouling elements from the processed feedstocks. Samples were preoxidized (600 ºC) for 12 h using a very slow heating rate to eliminate coke and volatiles. Experiments were performed in the presence of HF + H2O2 mixtures under stirring at 25-60oC for 1-4 h. The amount of insoluble matter was the lowest (&lt; 1 wt.% of the initial mass) after leaching for 2 h at 60oC using an excess of 50 vol.% HF and 20 vol.% H2O2. Leached molybdenum and vanadium were extracted together with Alamine 304 (tri-dodecylamine) in n-heptane at pH below 2. Aluminum and iron were precipitated from the raffinate as Na3AℓF6 (+ Na3FeF6) by adjusting pH at ~4 using 6 mol L-1 NaOH. Nickel was either recovered by solvent extraction using D2EHPA (bis-(2-ethylhexyl)phosphoric acid) in n-heptane at pH 6 or precipitated at pH 8 using 6 mol L-1 NaOH. The first method proved better as less contaminants were present. After slow evaporation of the final aqueous solution, a mixture of Na2SiF6 and NaF was recovered. Fluoride losses were very low (~0.10 wt.%).
DOI: 10.6084/m9.figshare.19945327.v1
title: Processamento de catalisadores gastos de unidade de hidrodessulfurização profunda (ultra-deep HDS)

description: PROCESSING OF SPENT ULTRA-DEEP HYDRODESULFURIZATION CATALYSTS. This work discusses the recycling of spent NiMo/Al2O3 catalysts from ultra-deep hydrodesulfurization (HDS) units. They contain a refractory coke and fouling elements from the processed feedstocks. Samples were preoxidized (600 ºC) for 12 h using a very slow heating rate to eliminate coke and volatiles. Experiments were performed in the presence of HF + H2O2 mixtures under stirring at 25-60oC for 1-4 h. The amount of insoluble matter was the lowest (&lt; 1 wt.% of the initial mass) after leaching for 2 h at 60oC using an excess of 50 vol.% HF and 20 vol.% H2O2. Leached molybdenum and vanadium were extracted together with Alamine 304 (tri-dodecylamine) in n-heptane at pH below 2. Aluminum and iron were precipitated from the raffinate as Na3AℓF6 (+ Na3FeF6) by adjusting pH at ~4 using 6 mol L-1 NaOH. Nickel was either recovered by solvent extraction using D2EHPA (bis-(2-ethylhexyl)phosphoric acid) in n-heptane at pH 6 or precipitated at pH 8 using 6 mol L-1 NaOH. The first method proved better as less contaminants were present. After slow evaporation of the final aqueous solution, a mixture of Na2SiF6 and NaF was recovered. Fluoride losses were very low (~0.10 wt.%).
DOI: 10.6084/m9.figshare.19945328
title: Spectroscopic techniques combined with chemometrics to study organic matter in tropical soils with different degrees of pedogenetic evolution

description: Understanding of the organomineral interactions in soil can elucidate the humic substances (HS) formation and the humification process. This study aimed to structurally characterize the humic acids (HA) formed in tropical soils with different pedogenesis degrees. The HA fraction was extracted from soil samples in the superficial horizons of an Inceptisol and a Mollisol in Rio de Janeiro state. The HA was characterized using spectroscopic techniques following by chemometric analyses: principal component analysis, descriptive analysis, and multivariate curve resolution. The results show that HA extracted from superficial horizon of Inceptisol and Mollisol are structurally different. The Inceptisol HA has a lower E4/E6 ratio than the Mollisol HA. The chemical groups show that most -CH groups belong to -CH2 and -CH3 and hydroxyls (-OH) for the Inceptisol HA, whereas the Mollisol HA predominantly contains aromatic C=C groups. The Inceptisol HA is mainly composed of CAlkyl-H,R and -C=O structures, whereas the Mollisol HA contains a higher quantity of CAlkyl-O,N, CAlkyl-O and CAromatic-H,R groups. The Inceptisol HA has a higher aliphatic content and hydrophobicity than the Mollisol HA. In Inceptisol, organic carbon stabilization can be facilitated by hydrophobic interactions, whereas in Mollisol, different interaction sites can stabilize proteinaceous compounds.
DOI: 10.6084/m9.figshare.19945328.v1
title: Spectroscopic techniques combined with chemometrics to study organic matter in tropical soils with different degrees of pedogenetic evolution

description: Understanding of the organomineral interactions in soil can elucidate the humic substances (HS) formation and the humification process. This study aimed to structurally characterize the humic acids (HA) formed in tropical soils with different pedogenesis degrees. The HA fraction was extracted from soil samples in the superficial horizons of an Inceptisol and a Mollisol in Rio de Janeiro state. The HA was characterized using spectroscopic techniques following by chemometric analyses: principal component analysis, descriptive analysis, and multivariate curve resolution. The results show that HA extracted from superficial horizon of Inceptisol and Mollisol are structurally different. The Inceptisol HA has a lower E4/E6 ratio than the Mollisol HA. The chemical groups show that most -CH groups belong to -CH2 and -CH3 and hydroxyls (-OH) for the Inceptisol HA, whereas the Mollisol HA predominantly contains aromatic C=C groups. The Inceptisol HA is mainly composed of CAlkyl-H,R and -C=O structures, whereas the Mollisol HA contains a higher quantity of CAlkyl-O,N, CAlkyl-O and CAromatic-H,R groups. The Inceptisol HA has a higher aliphatic content and hydrophobicity than the Mollisol HA. In Inceptisol, organic carbon stabilization can be facilitated by hydrophobic interactions, whereas in Mollisol, different interaction sites can stabilize proteinaceous compounds.
DOI: 10.6084/m9.figshare.19945331.v1
title: Challenges of TiO2-composite, as a visible active photocatalyst material for SARS-CoV-2 antiviral compared with the other viruses

description: The efforts in dealing with COVID-19 in various aspects are continuously being carried out, such as the photocatalytic process. Interestingly, TiO2 plays an important role as an environmentally friendly photocatalyst with a visible and UV absorption range. The increase in the antiviral performance of this compound is further maximized by formulating TiO2-based composites and doping it to reduce the bandgap. This review aims to determine the challenges of TiO2-based composite as a visible active photocatalyst material for SARS-CoV-2 antiviral. It presents a discussion of the photocatalytic function of TiO2, by comparing the secondary data obtained from viruses that have been successfully degraded by the SARS-CoV-2. The literature search led to the analysis of the photocatalyst quality, structure, composition, and the degraded viruses. This comparison was based on the photocatalyst’s general constituents, such as protein and RNA. The virus morphology as observed in the secondary data was successfully destroyed by hydroxyl radicals resulting from the photocatalytic processes. It was observed that TiO2 photocatalyst generated ROS, capable of inactivating various viruses, therefore, it has the potential in fighting against the SARS-CoV-2. Moreover, further research is needed in photocatalyst design, its role, and the overall mechanism of virus inactivation.
DOI: 10.6084/m9.figshare.19945331
title: Challenges of TiO2-composite, as a visible active photocatalyst material for SARS-CoV-2 antiviral compared with the other viruses

description: The efforts in dealing with COVID-19 in various aspects are continuously being carried out, such as the photocatalytic process. Interestingly, TiO2 plays an important role as an environmentally friendly photocatalyst with a visible and UV absorption range. The increase in the antiviral performance of this compound is further maximized by formulating TiO2-based composites and doping it to reduce the bandgap. This review aims to determine the challenges of TiO2-based composite as a visible active photocatalyst material for SARS-CoV-2 antiviral. It presents a discussion of the photocatalytic function of TiO2, by comparing the secondary data obtained from viruses that have been successfully degraded by the SARS-CoV-2. The literature search led to the analysis of the photocatalyst quality, structure, composition, and the degraded viruses. This comparison was based on the photocatalyst’s general constituents, such as protein and RNA. The virus morphology as observed in the secondary data was successfully destroyed by hydroxyl radicals resulting from the photocatalytic processes. It was observed that TiO2 photocatalyst generated ROS, capable of inactivating various viruses, therefore, it has the potential in fighting against the SARS-CoV-2. Moreover, further research is needed in photocatalyst design, its role, and the overall mechanism of virus inactivation.
DOI: 10.6084/m9.figshare.19945334.v1
title: Silver complexes for tuberculosis treatment: a short review

description: This paper is a brief review of silver complexes that have been identified as antibacterial drugs with promising use for the treatment of tuberculosis (TB). This treatment aims to cure and discontinue the transmission of the disease. The excessive and inappropriate use of drugs has jeopardized the effectiveness of antibiotics for the TB treatment, bringing bacterial resistance to them. To achieve these objectives, the drugs used must be able to eliminate rapidly the bacterial population, avoiding the selection of drug-resistant strains and preventing its recurrence. The number of new cases of multidrug-resistant TB (MDR-TB) and extensively drug-resistant TB (XDR-TB) continues to rise. So, it is important to develop more research to introduce new drugs or improve existing ones, which can reduce the treatment time, increasing drug adherence and reducing MDR-TB and XDR-TB. The Ag(I) complexes were described with different types of ligands, and bonds to Ag(I) occur by N, O, P, and S atoms. Metal complexes are presented as options for anti-TB treatments. There are no cases of TB treatments using metal complexes but research in this area show that they could be used in the future to eradicate the bacteria that contaminate environments, surgical materials and other objects.
DOI: 10.6084/m9.figshare.19945334
title: Silver complexes for tuberculosis treatment: a short review

description: This paper is a brief review of silver complexes that have been identified as antibacterial drugs with promising use for the treatment of tuberculosis (TB). This treatment aims to cure and discontinue the transmission of the disease. The excessive and inappropriate use of drugs has jeopardized the effectiveness of antibiotics for the TB treatment, bringing bacterial resistance to them. To achieve these objectives, the drugs used must be able to eliminate rapidly the bacterial population, avoiding the selection of drug-resistant strains and preventing its recurrence. The number of new cases of multidrug-resistant TB (MDR-TB) and extensively drug-resistant TB (XDR-TB) continues to rise. So, it is important to develop more research to introduce new drugs or improve existing ones, which can reduce the treatment time, increasing drug adherence and reducing MDR-TB and XDR-TB. The Ag(I) complexes were described with different types of ligands, and bonds to Ag(I) occur by N, O, P, and S atoms. Metal complexes are presented as options for anti-TB treatments. There are no cases of TB treatments using metal complexes but research in this area show that they could be used in the future to eradicate the bacteria that contaminate environments, surgical materials and other objects.
DOI: 10.6084/m9.figshare.19945340
title: Development and application of a test mixture for untargeted liquid chromatography-mass spectrometry analysis of urine samples

description: Metabolic profiling of complex biological matrices based on liquid chromatography-mass spectrometry (LC-MS) allows detecting a wide range of metabolites with distinct concentrations and physicochemical properties. Given the complexity of samples and the necessity of a comprehensive approach in untargeted metabolomics, quality control strategies are mandatory to obtain high-quality data. The LC-MS performance must be monitored and evaluated to guarantee data reliability. In this study, a test mixture (TM) was developed, systematically evaluated, and applied to untargeted metabolomics of urine samples from individuals suspected of inborn errors of metabolism. The TM was composed of fifteen analytes that eluted across the entire gradient in reversed-phase columns and ionized in positive/negative electrospray modes. It helped set the LC-MS conditions for urine analysis, from sample reconstitution solvent to selecting the MS ion source parameters. The TM quickly indicated column stationary phase degradation during the batch analysis when employed to monitor and evaluate the LC-MS system in an untargeted metabolomic analysis. Thus, in addition to pooled QC samples, a TM can be employed in untargeted metabolomics to rapidly assess the system performance avoiding unnecessary efforts for further data treatment and multivariate analysis of poor-quality data.
DOI: 10.6084/m9.figshare.19945340.v1
title: Development and application of a test mixture for untargeted liquid chromatography-mass spectrometry analysis of urine samples

description: Metabolic profiling of complex biological matrices based on liquid chromatography-mass spectrometry (LC-MS) allows detecting a wide range of metabolites with distinct concentrations and physicochemical properties. Given the complexity of samples and the necessity of a comprehensive approach in untargeted metabolomics, quality control strategies are mandatory to obtain high-quality data. The LC-MS performance must be monitored and evaluated to guarantee data reliability. In this study, a test mixture (TM) was developed, systematically evaluated, and applied to untargeted metabolomics of urine samples from individuals suspected of inborn errors of metabolism. The TM was composed of fifteen analytes that eluted across the entire gradient in reversed-phase columns and ionized in positive/negative electrospray modes. It helped set the LC-MS conditions for urine analysis, from sample reconstitution solvent to selecting the MS ion source parameters. The TM quickly indicated column stationary phase degradation during the batch analysis when employed to monitor and evaluate the LC-MS system in an untargeted metabolomic analysis. Thus, in addition to pooled QC samples, a TM can be employed in untargeted metabolomics to rapidly assess the system performance avoiding unnecessary efforts for further data treatment and multivariate analysis of poor-quality data.
DOI: 10.21227/2akb-0v63
title: IEEE IC 3DBP Dataset of the Comaprative Analysis of Anthropometric Methods 

description: Copyright License for non-commercial scientific research purposes, please read carefully the license of theis dataset.
DOI: 10.5281/zenodo.6600429
title: Como Creek Colorado C-Q data

description: R code for downloading and analyzing concentration-discharge (C-Q) data from National Ecological Observatory Network (NEON) Como Creek site in Colorado. The script first downloads the data from the NEON API, removes quality flagged measurements, and averages all data to 15 minute intervals and merges discharge (Q), nitrate (NO3-N) and water quality (specific conductance-SpC and fluorescent dissolved organic matter-fDOM which is then used to estimate dissolved organic carbon-DOC). This dats is saved as a csv file, which is also included in this repo, so that this step can be bypassed. The code then analyzes the C-Q relationships of individual snowmelt and rainfall induced pulses by fitting a power function to determine whether concentrations are enriched, diluted or chemostatic. A normalized hysteresis index is also calculated for each event. Finally, the code fits a sine model to each day of data to determine the timing and amplitude of the diel signals.
DOI: 10.6084/m9.figshare.19945354
title: In vivo sensitivity of Phakopsora pachyrhizi to DMI and QoI fungicides

description: In in vivoexperiments the sensitivity of 18 isolates of Phakopsora pachyrhizifrom several regions of Brazil to IDM fungicides (cyproconazole, epoxiconazole and tebuconazole and an IQE (pyraclostrobin) were evaluated. The assessments were based on leaflet uredia density. Inhibitory concentration (IC50) and sensitivity reduction factor were determined for all fungicide x strain interactions. Tebuconazole sensitivity reduction was detected for most fungus isolates. In contrast, there was no fungicide shift in sensitivity of the fungus to pyraclostrobin. We conclude that the control failure of soybean rust found in some farms is due to the reduced sensitivity of the fungus to the IDM fungicide and that it remains sensitive to pyraclostrobin.
DOI: 10.6084/m9.figshare.19945354.v1
title: In vivo sensitivity of Phakopsora pachyrhizi to DMI and QoI fungicides

description: In in vivoexperiments the sensitivity of 18 isolates of Phakopsora pachyrhizifrom several regions of Brazil to IDM fungicides (cyproconazole, epoxiconazole and tebuconazole and an IQE (pyraclostrobin) were evaluated. The assessments were based on leaflet uredia density. Inhibitory concentration (IC50) and sensitivity reduction factor were determined for all fungicide x strain interactions. Tebuconazole sensitivity reduction was detected for most fungus isolates. In contrast, there was no fungicide shift in sensitivity of the fungus to pyraclostrobin. We conclude that the control failure of soybean rust found in some farms is due to the reduced sensitivity of the fungus to the IDM fungicide and that it remains sensitive to pyraclostrobin.
DOI: 10.6084/m9.figshare.19945355.v1
title: Fungicide baseline for mycelial sensitivity of Exserohilum turcicum, causal agent of northern corn leaf blight

description: Northern corn leaf blight, caused by Exserohilum turcicum(Et), is one of the major corn diseases which can reduce grain yield and quality. The aim of this study was to determine the mycelial sensitivity of ten Etisolates, five from Argentina and five from Brazil, to six fungicides (carbendazim, captan, fludioxinil, metalaxyl, iprodione and thiram) used in seed treatment. The inhibitory concentration (IC50) was determined by using seven concentrations of the fungicides supplemented to the agar medium. The mycelial colony diameter was measured with a digital caliper. Experimental design was completely randomized with four replicates. Data on the percent mycelial growth inhibition were analyzed by logarithmic regression and the IC50 was calculated. The fungicide iprodione was the most potent, with IC50 &lt; 0.01 mg/L, followed by fludioxonil, IC50 0.31 mg/L, and thiram, 1.37 mg/L. Carbendazim, metalaxyl and captan were classified as non-fungitoxic, showing IC50 &gt; 50 mg/L for all isolates. Although iprodione is the most potent fungicide, it is not used for corn seed treatment. The IC50s obtained in this study can be used as baseline for future monitoring studies of Etsensitivity to fungicides.
DOI: 10.6084/m9.figshare.19945355
title: Fungicide baseline for mycelial sensitivity of Exserohilum turcicum, causal agent of northern corn leaf blight

description: Northern corn leaf blight, caused by Exserohilum turcicum(Et), is one of the major corn diseases which can reduce grain yield and quality. The aim of this study was to determine the mycelial sensitivity of ten Etisolates, five from Argentina and five from Brazil, to six fungicides (carbendazim, captan, fludioxinil, metalaxyl, iprodione and thiram) used in seed treatment. The inhibitory concentration (IC50) was determined by using seven concentrations of the fungicides supplemented to the agar medium. The mycelial colony diameter was measured with a digital caliper. Experimental design was completely randomized with four replicates. Data on the percent mycelial growth inhibition were analyzed by logarithmic regression and the IC50 was calculated. The fungicide iprodione was the most potent, with IC50 &lt; 0.01 mg/L, followed by fludioxonil, IC50 0.31 mg/L, and thiram, 1.37 mg/L. Carbendazim, metalaxyl and captan were classified as non-fungitoxic, showing IC50 &gt; 50 mg/L for all isolates. Although iprodione is the most potent fungicide, it is not used for corn seed treatment. The IC50s obtained in this study can be used as baseline for future monitoring studies of Etsensitivity to fungicides.
DOI: 10.6084/m9.figshare.19945357.v1
title: Pathogenicity of Pratylenchus brachyurus to rubber rootstocks

description: The pathogenicity of Pratylenchus brachyurusto rubber (Hevea brasiliensis) rootstocks was studied in two experiments: 1) opencross seedlings of 'Tjir 1' x 'Tjir 16' were inoculated with zero, 7,700 or 23,100 nematodes per plant; 2) illegitimate seedlings of 'GT 1', 'RRIM 527' and 'RRIM 600' were inoculated with zero or 12,800 nematodes per plant. After 195 (1st experiment) or 105 days after inoculation (2nd experiment), P. brachyurusdid not affect the relative growth percentage in terms of plant height in both experiments but significantly diminished the stem diameter percentage and increased the stomatal resistance of 'GT 1' , 'RRIM 527' and 'RRIM 600'.
DOI: 10.6084/m9.figshare.19945357
title: Pathogenicity of Pratylenchus brachyurus to rubber rootstocks

description: The pathogenicity of Pratylenchus brachyurusto rubber (Hevea brasiliensis) rootstocks was studied in two experiments: 1) opencross seedlings of 'Tjir 1' x 'Tjir 16' were inoculated with zero, 7,700 or 23,100 nematodes per plant; 2) illegitimate seedlings of 'GT 1', 'RRIM 527' and 'RRIM 600' were inoculated with zero or 12,800 nematodes per plant. After 195 (1st experiment) or 105 days after inoculation (2nd experiment), P. brachyurusdid not affect the relative growth percentage in terms of plant height in both experiments but significantly diminished the stem diameter percentage and increased the stomatal resistance of 'GT 1' , 'RRIM 527' and 'RRIM 600'.
DOI: 10.6084/m9.figshare.19945358
title: Relationship between IC50determined in vitro/in vivoand the fungicide rate used in the Field

description: Published data containing fungicide concentrations that control 50% (IC50) of a given fungus were analyzed. In the analysis we considered: (i) the IC50 determined in vitroand in vivofor a given fungicide and for a specific fungus; (ii) the concentration (g/ha) of active ingredient for the fungicide indicated to control a specific disease in the field; (iii) water volume of 120/L used in the spray; (iv) the fungicide a.i. concentration (mg/L) in 120 L volume; (v) and the ratio of the concentration used in the field with that determined in the laboratory. The analysis were performed by using IC50 data for DMIs, QoIs, a carbamate and a benzimidazol against the following fungi Bipolaris sorokiniana, Drechslera tritici-repentis, D. siccans, Fusarium graminearum, Puccinia triticina, Exserohilum turcicum, Phakopsora pachyrhiziand Corynespora cassiicola. The fungicide concentrations sprayed in the field were 33.9 (D. siccansand trifloxystrobin) to 500,000.0 (E. turcicumand iprodione) times higher than that determined in the laboratory. It was concluded that the IC50 was not related to the concentration used in the field and therefore should be used to compare the power among fungicides and to monitor the fungal sensitivity shift towards fungicides