cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14278972.v1
title: SYNTHESIS AND PHYTOTOXIC PROFILE OF A NEW TETRAOXANE DESIGNED FROM A COMMERCIAL AUXIN

description: Modern agriculture relies on the massive use of agrochemicals, including herbicides. Despite their effectiveness, a continuous use of herbicides sharing the same target has resulted in the selection of weed biotypes resistant to such chemicals. To cope with this problem, the development of new herbicides is an urgent requirement. In this work we applied the Active compound Derivatization Method (ADM) strategy to develop a new tetraoxane (5), derived from the synthetic auxin 2-(naphtalen-1-yl)acetic acid (NAA). Greenhouse bioassays showed that 5 caused chlorosis, necrosis and leaf epinasty in Cucumis sativa. Furthermore, this compound, at the concentration of 1.25 x 10-5 mol L-1, inhibited the growth of important weeds such as Bidens pilosa, Iponomea acuminate, Solanum americanum and Althernantera ficoidea. For some weeds, the compound effect was higher or comparable to those caused by commercial glyphosate and imazethapyr. In addition, degradation studies revealed that 5 is transformed into NAA. The results also showed that 5 could act as photosynthesis inhibitor and as an auxin herbicide. In summary, we have discovered a new compound that may be a useful lead for the development of a commercial herbicide.
DOI: 10.6084/m9.figshare.14278977.v1
title: A SALTING-OUT ASSISTED LIQUID-LIQUID EXTRACTION FOR THE DETERMINATION OF TEBUCONAZOLE, CARBOFURAN AND IMIDACLOPRID IN WHITE AND ROSÉ WINES

description: Food safety is a constant and necessary concern due to the worldwide increase of the food demand. The monitoring of quality parameters demands the development of accurate, easy and fast procedures. The aim of this work was to develop a cheap, miniaturized and trustworthy salting-out assisted liquid-liquid extraction (SALLE) procedure for the determination of pesticides in wines. Sample and acetonitrile were mixed and the addition of NaCl and CH3COONa were used for separation of aqueous and organic phases. After centrifugation, the organic phase was directly injected into a liquid chromatograph. The developed SALLE procedure consumed at least 25-fold less reagent compared to conventional QuEChERS procedure. Additionally, the d-SPE step of the QuEChERS method was suppressed, without efficiency losses. The developed procedure was compared to the conventional methodology and no significant difference was observed. It was successfully applied to the determination of three pesticides in wines by liquid chromatography. Low consumption of sample and solvent, low residues generation, simple instrumentation are notable advantages. The suppression of the d-SPE step simplified the process and the risk of analyte losses.
DOI: 10.6084/m9.figshare.14278976
title: DETERMINATION OF THE AUTHENTICITY OF COMMERCIAL OLIVE OIL SAMPLES SEIZED IN THE ESPÍRITO SANTO STATE USING A PORTABLE SPECTROPHOTOMETER IN THE NIR REGION

description: Many instrumental techniques are used to monitor the quality of food products, highlighting near infrared spectroscopy (NIRS). In order to determine the authenticity of 60 commercial oil samples seized by the Espírito Santo state police, this work used a portable spectrometer in the NIR region associated with chemometric tools such as principal component analysis (PCA) and partial least squares regression (PLS) to classify and quantify possible adulterants present such as soybean oil. In addition, physicochemical tests (acidity, peroxide and ultraviolet absorption) were carried out on commercial samples. The PLS regression model built to quantify soybean oil showed a coefficient of determination (R2) greater than 0.99, showing itself to be satisfactory. The results showed that all samples analyzed had a high content of adulterant and cannot be classified as extra virgin olive oil.
DOI: 10.6084/m9.figshare.14278979
title: EVOLUTION OF LEGISLATION AND ANALYTICAL TECHNIQUES APPLIED TO STABILITY STUDIES FOR ACTIVE INGREDIENTS AND PHARMACEUTICAL PRODUCTS

description: Stability is an important parameter to evaluate the quality, safety and efficacy of drug substances and pharmaceutical products. The stability studies aim to determine the ability of a formulation to maintain its specifications, in order to establish shelf life and recommended storage conditions. Despite the extensive relevance, until the 1980’s the stability assessment methods complied with technical and scientific principles without the intervention of regulatory acts by health authorities. The International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH) establishment in the 1990’s boosted the regulation on this issue, not only in the attended countries, but worldwide. In the Brazilian context, the first regulatory norm for stability studies was published in 2002 and it implied the requirement of the submission of a stability report for the sanitary registration of medicines. The development of the Brazilian legislation resulted, among other factors, from the progress of the analytical methods that have become increasingly efficient, sensitive and selective, which allows the achievements of results with greater accuracy and speed; and the use of modern techniques of solid form characterization, which provide important information about the stability of active ingredients and pharmaceutical products.
DOI: 10.6084/m9.figshare.14278979.v1
title: EVOLUTION OF LEGISLATION AND ANALYTICAL TECHNIQUES APPLIED TO STABILITY STUDIES FOR ACTIVE INGREDIENTS AND PHARMACEUTICAL PRODUCTS

description: Stability is an important parameter to evaluate the quality, safety and efficacy of drug substances and pharmaceutical products. The stability studies aim to determine the ability of a formulation to maintain its specifications, in order to establish shelf life and recommended storage conditions. Despite the extensive relevance, until the 1980’s the stability assessment methods complied with technical and scientific principles without the intervention of regulatory acts by health authorities. The International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH) establishment in the 1990’s boosted the regulation on this issue, not only in the attended countries, but worldwide. In the Brazilian context, the first regulatory norm for stability studies was published in 2002 and it implied the requirement of the submission of a stability report for the sanitary registration of medicines. The development of the Brazilian legislation resulted, among other factors, from the progress of the analytical methods that have become increasingly efficient, sensitive and selective, which allows the achievements of results with greater accuracy and speed; and the use of modern techniques of solid form characterization, which provide important information about the stability of active ingredients and pharmaceutical products.
DOI: 10.6084/m9.figshare.14278976.v1
title: DETERMINATION OF THE AUTHENTICITY OF COMMERCIAL OLIVE OIL SAMPLES SEIZED IN THE ESPÍRITO SANTO STATE USING A PORTABLE SPECTROPHOTOMETER IN THE NIR REGION

description: Many instrumental techniques are used to monitor the quality of food products, highlighting near infrared spectroscopy (NIRS). In order to determine the authenticity of 60 commercial oil samples seized by the Espírito Santo state police, this work used a portable spectrometer in the NIR region associated with chemometric tools such as principal component analysis (PCA) and partial least squares regression (PLS) to classify and quantify possible adulterants present such as soybean oil. In addition, physicochemical tests (acidity, peroxide and ultraviolet absorption) were carried out on commercial samples. The PLS regression model built to quantify soybean oil showed a coefficient of determination (R2) greater than 0.99, showing itself to be satisfactory. The results showed that all samples analyzed had a high content of adulterant and cannot be classified as extra virgin olive oil.
DOI: 10.6084/m9.figshare.14278982
title: PROCESSING OF A METAL CONCENTRATE FROM GROUND WASTE PRINTED CIRCUIT BOARDS IN ACIDIC MEDIA USING HYDROGEN PEROXIDE AS OXIDANT

description: The recovery of precious and base metals of a metal concentrate from ground waste printed circuit boards (PCBs) is described in detail. Samples were treated with NaOHaq. to remove the soldering mask. Experiments were performed in acidic medium (HF, H2SO4, CH3COOH or H3PO4) using H2O2 as oxidant. Base metals were leached in high yields (&gt;99 wt.%) at ~40 ºC after ~1 h (HF), ~2 h (H2SO4), ~4 h (H3PO4) and ~5 h (CH3COOH). Lead precipitated in the presence of H2SO4 and HF. Precious metals were not oxidized. Ceramic/fiberglass components were dissolved in the presence of HF. Silver, palladium and gold were recovered from the insoluble solid, in this order, by a sequential oxidative treatment in aqueous medium. Recovery of leached elements was possible by a combination of solvent extraction and precipitation. The choice of the extractant and the precipitant were essential to recover them with high yields. The leachates from H3PO4 + H2O2 experiments could not be processed above pH 2.5. Leaching of waste PCBs in the presence of a weak organic acid is possible but a multistage separation scheme for elements recovery is unavoidable as PCBs is a complex material in terms of composition.
DOI: 10.6084/m9.figshare.14278982.v1
title: PROCESSING OF A METAL CONCENTRATE FROM GROUND WASTE PRINTED CIRCUIT BOARDS IN ACIDIC MEDIA USING HYDROGEN PEROXIDE AS OXIDANT

description: The recovery of precious and base metals of a metal concentrate from ground waste printed circuit boards (PCBs) is described in detail. Samples were treated with NaOHaq. to remove the soldering mask. Experiments were performed in acidic medium (HF, H2SO4, CH3COOH or H3PO4) using H2O2 as oxidant. Base metals were leached in high yields (&gt;99 wt.%) at ~40 ºC after ~1 h (HF), ~2 h (H2SO4), ~4 h (H3PO4) and ~5 h (CH3COOH). Lead precipitated in the presence of H2SO4 and HF. Precious metals were not oxidized. Ceramic/fiberglass components were dissolved in the presence of HF. Silver, palladium and gold were recovered from the insoluble solid, in this order, by a sequential oxidative treatment in aqueous medium. Recovery of leached elements was possible by a combination of solvent extraction and precipitation. The choice of the extractant and the precipitant were essential to recover them with high yields. The leachates from H3PO4 + H2O2 experiments could not be processed above pH 2.5. Leaching of waste PCBs in the presence of a weak organic acid is possible but a multistage separation scheme for elements recovery is unavoidable as PCBs is a complex material in terms of composition.
DOI: 10.6084/m9.figshare.14278983
title: NEW TECHNOLOGIES FOR THE TREATMENT OF TUBERCULOSIS: WHAT DO PATENTS TELL US

description: Tuberculosis still is the world’s leading cause of death from a single infectious agent and has affected approximately 10 million people in 2018. The development of new technologies for treating tuberculosis is among the priority goals for the global fight against the disease. The present work makes a technological prospecting from patent documents, aiming to identify new technologies developed for the treatment of the disease, analyzing the most promising trends. The identification of new technologies was carried out through the Orbit Intelligence portal using the sentence: “(+ tuberculosis +) / TI / AB AND (A 61K OR A 61P) / IPC AND PRD&gt; =2015” as a search strategy. We identified 41 patent families with experimental evidence (in vitro / in vivo) of efficacy against Mycobacterium tuberculosis, including resistant strains. The new technologies mainly consist of chemical synthesis products. The patent protection was demanded in countries with promising markets, with potential licensors and strong intellectual property regulations. The use of patents as a source of information can contribute to orientate the development of new drugs for tuberculosis.
DOI: 10.6084/m9.figshare.14278984
title: PERSPECTIVES AND CHALLENGES OF ITACONIC ACID PRODUCTION FROM BIOMASS

description: Itaconic acid (IA) is a very promising platform molecule due to the possibility of it being used to obtain products such as methyl methacrylate and synthetic latex, with the prospect that its global market will grow at an average annual rate of 2.8% (CAGR) from 2021 to 2026, exceeding US$ 116.6 million in sales. The main technological route used to obtain itaconic acid is fermentation using different strains of Aspergillus terreus fungi. The main advancements are related to genetic engineering, as Aspergillus terreus is the most tolerant of the microorganisms employed in the process synthesis and optimization. The main substrate used is glucose (52%), followed by glycerol (25%). Among the results presented in this paper, the best production was achieved using Ustilago maydis, with 220 g L-1 of IA, yielding 0.33 g g-1, using glucose as a carbon source. Moreover, it is necessary to continue optimizing the biological process of IA production, since it is a platform molecule with major economic potential.
DOI: 10.6084/m9.figshare.14278984.v1
title: PERSPECTIVES AND CHALLENGES OF ITACONIC ACID PRODUCTION FROM BIOMASS

description: Itaconic acid (IA) is a very promising platform molecule due to the possibility of it being used to obtain products such as methyl methacrylate and synthetic latex, with the prospect that its global market will grow at an average annual rate of 2.8% (CAGR) from 2021 to 2026, exceeding US$ 116.6 million in sales. The main technological route used to obtain itaconic acid is fermentation using different strains of Aspergillus terreus fungi. The main advancements are related to genetic engineering, as Aspergillus terreus is the most tolerant of the microorganisms employed in the process synthesis and optimization. The main substrate used is glucose (52%), followed by glycerol (25%). Among the results presented in this paper, the best production was achieved using Ustilago maydis, with 220 g L-1 of IA, yielding 0.33 g g-1, using glucose as a carbon source. Moreover, it is necessary to continue optimizing the biological process of IA production, since it is a platform molecule with major economic potential.
DOI: 10.6084/m9.figshare.14278985
title: BINARY MICELLES (E45S8/F127) FOR QUERCETIN AND GRISEOFULVIN SOLUBILISATION

description: Micelles have aroused interest due to their ability to assist in the transport of poorly soluble drugs. In this study the mixture of copolymers F127/E45S8 in different proportions (F/ES 30/70, 50/50 and 70/30) was performed to improve the bioavailability of griseofulvin and quercetin. The results of cytotoxicity (MTT assay) revealed that the copolymers F127 and E45S8 had considerable biocompatibility and did not affect the metabolism of human neutrophils. The binary systems were also evaluated by critical micellar concentration (CMC) and thermoresponsive behavior. The CMC values were intermediate to those of the isolated copolymers. The systems maintained the thermoresponsive properties present in F127 making the systems interesting for subcutaneous administration. The systems presented small size, an average range in size from 17 to 38 nm, and the samples prepared with higher hydrophobic proportion presented more uniform sizes. Results suggest stability and the increasing of the nanosystems circulation time. The F/ES 30/70 system has polydispersity smaller than 0.1 and showed an increase of 129 times for quercetin solubility. Thus, it is possible to consider F127/E45S8 micelles as potential nanosystems for poorly soluble drug delivery.
DOI: 10.6084/m9.figshare.14278985.v1
title: BINARY MICELLES (E45S8/F127) FOR QUERCETIN AND GRISEOFULVIN SOLUBILISATION

description: Micelles have aroused interest due to their ability to assist in the transport of poorly soluble drugs. In this study the mixture of copolymers F127/E45S8 in different proportions (F/ES 30/70, 50/50 and 70/30) was performed to improve the bioavailability of griseofulvin and quercetin. The results of cytotoxicity (MTT assay) revealed that the copolymers F127 and E45S8 had considerable biocompatibility and did not affect the metabolism of human neutrophils. The binary systems were also evaluated by critical micellar concentration (CMC) and thermoresponsive behavior. The CMC values were intermediate to those of the isolated copolymers. The systems maintained the thermoresponsive properties present in F127 making the systems interesting for subcutaneous administration. The systems presented small size, an average range in size from 17 to 38 nm, and the samples prepared with higher hydrophobic proportion presented more uniform sizes. Results suggest stability and the increasing of the nanosystems circulation time. The F/ES 30/70 system has polydispersity smaller than 0.1 and showed an increase of 129 times for quercetin solubility. Thus, it is possible to consider F127/E45S8 micelles as potential nanosystems for poorly soluble drug delivery.
DOI: 10.6084/m9.figshare.14278988
title: TEACHER’S TRAINING IN CHEMISTRY, CHANGES IN REGULATION AND IMPACTS ON THE STRUCTURE OF TWO CHEMISTRY UNDERGRADUATION COURSES

description: Chemistry teacher training courses have been undergoing restructuring, encouraged by changes in legislation and various research in the educational area. This work presents an overview of the regulations, which in recent years has been considering the importance of including reflective practices during initial training courses, by increasing the workload of internships and the implementation of the “Practice as a Curricular Component” (Prática como Componente Curricular). In the light of these regimentation, through a documentary analysis, we investigate aspects related to the structure of the teacher education curriculum in two undergraduate chemistry courses, which are presented as courses with different curriculum structures, especially the percentage of hours devoted to specific activities that differentiate from the bachelor’s degree for the course as a whole and the distribution of these activities over the 4 years of the course. We identified resistance in change the structure of the curriculum to disassociate the teacher training courses from the baccalaureate. It was also investigated the profile of teachers for both institutions, which are similar and show that the majority of teachers have a bachelor profile, raising a question about the training of teacher educators.
DOI: 10.6084/m9.figshare.14278988.v1
title: TEACHER’S TRAINING IN CHEMISTRY, CHANGES IN REGULATION AND IMPACTS ON THE STRUCTURE OF TWO CHEMISTRY UNDERGRADUATION COURSES

description: Chemistry teacher training courses have been undergoing restructuring, encouraged by changes in legislation and various research in the educational area. This work presents an overview of the regulations, which in recent years has been considering the importance of including reflective practices during initial training courses, by increasing the workload of internships and the implementation of the “Practice as a Curricular Component” (Prática como Componente Curricular). In the light of these regimentation, through a documentary analysis, we investigate aspects related to the structure of the teacher education curriculum in two undergraduate chemistry courses, which are presented as courses with different curriculum structures, especially the percentage of hours devoted to specific activities that differentiate from the bachelor’s degree for the course as a whole and the distribution of these activities over the 4 years of the course. We identified resistance in change the structure of the curriculum to disassociate the teacher training courses from the baccalaureate. It was also investigated the profile of teachers for both institutions, which are similar and show that the majority of teachers have a bachelor profile, raising a question about the training of teacher educators.
DOI: 10.6084/m9.figshare.14278991
title: SENSING PHASE OF POLY(VINYL CHLORIDE) IN THE DETECTION OF 17β-ESTRADIOL IN WATER ENVIRONMENT USING MID-INFRARED SPECTROSCOPY AND CHEMOMETRICS

description: In recent years, estrogens have gained notable attention among emerging pollutants, increasingly leading to the need for less laborious analytical methods. Optical sensors are a promising technology for the determination of chemical contaminants in water, acting as an alternative screening method. The aim of this work was to evaluate the performance of poly(vinyl chloride) (PVC) as a sensing phase for the detection of 17β-estradiol in water using mid-infrared spectroscopy and chemometrics. The sensing phase was used for differentiation purposes with an accuracy of 80%, sensitivity of 100% and specificity of 71.4% based on soft independent modeling of class analogy (SIMCA). Satisfactory limits of detection (8.9x10-1 - 2.9 mg L-1), quantification (2.9 - 1.0x10 mg L-1), slope of the analytical curve (5.0x10-4 - 2.4x10-3 L mg-1) and determination coefficients (0.90 - 0.99) were obtained. Kinetically, a extraction time of around 30 min was estimated and in a regeneration study, it was possible to use the same phase after 4 cycles of use. Therefore, the results indicate that the PVC sensing phase is promising for the detection of 17β-estradiol in water by means of mid-infrared spectroscopy and chemometric methods.
DOI: 10.6084/m9.figshare.14278993
title: DETERMINATION OF THE PESTICIDES IN WATER USED IN THE CULTURE AND PROCESSING OF POTATOES

description: The contamination of water bodies by pesticide residues through direct flow, leaching and other methods has motivated the development of analytical methods for the determination of these compounds in water. A vortex-assisted liquid-liquid microextraction method followed by gas chromatography coupled to mass spectrometry for the determination of anilazine, linuron, prothiofos, and tebuconazole residues in water samples from the culture and processing of potatoes (Solanum tuberosum L.) was optimized. The complete factorial design and the central rotational compound design combined with the desirability function were used to evaluate and optimize the parameters of the method. The optimized conditions for extracting the pesticides were as follows: 316 µL of toluene, no sodium chloride addition, and a stirring time of 187 s. The method presented an enrichment factor of 142.4 times and good linearity, precision and accuracy, with limits of detection (LOD) of 0.005 - 0.007 mg L-1 and limits of quantification (LOQ) of 0.016 - 0.022 mg L-1. The co-extractives of the wastewater samples caused the suppression of the chromatographic response of linuron and prothiofos by 7.82 and 27.63%, respectively. The analyte concentrations in the wastewater samples from the industrial shing process, manual potato washing, and dam water were either lower than the LODs of the method or were absent.