cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14278898.v1
title: PHYTOCHEMICAL AND BIOLOGICAL STUDIES OF CONSTITUENTS FROM ROOTS OF Salacia crassifolia (CELASTRACEAE)

description: Salacia crassifolia traditionally known as “Bacupari-do-Cerrado” is used to treat kidney problems, and as a healing agent for coughs and malaria. The phytochemical study of the S. crassifolia roots led to the isolation of thirteen compounds: abruslactone-A (1), urs-12-ene-3β,25,30-triol (2), carioprystimerin (3), β-sitosterol (4), pristimerin (5), dispermoquinone (6), netzahualcoyonol (7), 20-hydroxy-20-epi-tingenone (8), 6-oxo-pristimerol (9), 9β,10β-epoxi-3β-hydroxy-1βH,4βH,5βH,7βH,11αH-guaian-12,8β-olide (10), 3-O-b-D-glucosyl-b-sitosterol (11), 4`-O-methylepigalocatechin (12) and cerebroside (13). The chemical structures of 1-13 were determined by IR, 1D/2D NMR together with X-ray diffractometry. Compounds 2 and 10 are herein described for the first time. Extracts of S. crassifolia and compounds 3, 5, 8 and 9 were evaluated on acetylcholinesterase inhibition, in vitro cytotoxic activity and in vivo toxicity tests using Caenorhabditis elegans model. All tested compounds inhibited acetylcholinesterase, and compounds 3, 8 and 9 demonstrated a greater potential when compared to the standard eserine. The tested compounds showed low cytotoxicity against the THP-1, K562 and MDA-MB-231 cancer cell lines. None of the tested compounds and extracts were toxic against C. elegans since the larvae survival rate in L1 stage was higher than 90%.
DOI: 10.6084/m9.figshare.14278901
title: PHOTODYNAMIC THERAPY IN ELECTROSPINNING: REVIEW OF TECHNIQUES AND APPLICATIONS

description: Electrospinning is a strand of nanoscience for the production of fibers in nano and micrometric scales and when combined with other techniques it becomes a powerful tool for application in various branches of science. A promising combination of electrospinning is photodynamic therapy (PDT) and photodynamic inactivation of microorganisms (PDI) for the manufacture of fibers with photoactive characteristics that can be used with great ease in the medical field. This systematic review reports technical information, preparation and characterization of nano and microfibers obtained by the electrospinning technique with applicability in PDT/PDI.
DOI: 10.6084/m9.figshare.14278901.v1
title: PHOTODYNAMIC THERAPY IN ELECTROSPINNING: REVIEW OF TECHNIQUES AND APPLICATIONS

description: Electrospinning is a strand of nanoscience for the production of fibers in nano and micrometric scales and when combined with other techniques it becomes a powerful tool for application in various branches of science. A promising combination of electrospinning is photodynamic therapy (PDT) and photodynamic inactivation of microorganisms (PDI) for the manufacture of fibers with photoactive characteristics that can be used with great ease in the medical field. This systematic review reports technical information, preparation and characterization of nano and microfibers obtained by the electrospinning technique with applicability in PDT/PDI.
DOI: 10.6084/m9.figshare.14278903
title: APPLICATION OF ZERO-VALENT IRON NANOPARTICLES (nZVI) ON THE REMEDIATION OF CONTAMINATED SOIL AND GROUNDWATER: A REVIEW

description: The remediation of contaminated soil and water is a relevant topic, being the focus of intense research. The use of nanoparticles to degrade contaminants has been consolidated as a sustainable remediation technology, with promising results worldwide. In this scenario, the zero-valent iron nanoparticles (nZVI) which, due to their properties, prove to be an important element to be used in remediation techniques, in addition to being efficient and low cost. In this article the objective is to present a bibliographic review on nanotechnology applied to soil and groundwater remediation, especially the application of nZVI, considering its main characteristics, reactivity performance, pollutants that can be degraded, application and transport techniques and main advantages and disadvantages. Issues related to toxicity and factors related to in situ applications are also presented. It is considered the results that have been observed, there is feasibility for the research to intensify even more, due to the efficiency of this nanomaterial on pollutants present in soils and waters, and it is important to expand the studies in Brazilian soils, since most of the research is international, and it is not possible to directly transfer knowledge acquired from temperate soils to residual soils of tropical and subtropical climate.
DOI: 10.6084/m9.figshare.14278904
title: USE OF PAPER SPRAY-MASS SPECTROMETRY TO DETERMINE THE CHEMICAL PROFILE OF RIPE BANANA PEEL FLOUR AND EVALUATION OF ITS PHYSICOCHEMICAL AND ANTIOXIDANT PROPERTIES

description: In this work, the peels of ripe banana (Musa sp.), variety “Prata”, were used to prepare a flour, which was evaluated for its physicochemical characteristics and antioxidant activity. The characterization of its chemical profile was performed by a fast and simple method: paper spray-mass spectrometry. This flour had high carbohydrate content and total dietary fiber, and significant amount of total phenolic compounds with antioxidant activity. In addition, this flour exhibited higher water-holding, oil-holding and swelling capacities than those of fruit by-products reported in the literature. Fourier-transform infrared spectroscopy confirmed the presence of functional groups of cellulose, hemicellulose, and lignin, constituents of insoluble dietary fiber. By the paper spray-mass spectrometry technique, it was possible to suggest the presence of 26 substances such as organic acids, phenolic acids, flavonoids, sugars, quinones, and terpenoids. Thus, this study demonstrated that the ripe banana peel flour has potential application as an ingredient for functional foods.
DOI: 10.6084/m9.figshare.14278904.v1
title: USE OF PAPER SPRAY-MASS SPECTROMETRY TO DETERMINE THE CHEMICAL PROFILE OF RIPE BANANA PEEL FLOUR AND EVALUATION OF ITS PHYSICOCHEMICAL AND ANTIOXIDANT PROPERTIES

description: In this work, the peels of ripe banana (Musa sp.), variety “Prata”, were used to prepare a flour, which was evaluated for its physicochemical characteristics and antioxidant activity. The characterization of its chemical profile was performed by a fast and simple method: paper spray-mass spectrometry. This flour had high carbohydrate content and total dietary fiber, and significant amount of total phenolic compounds with antioxidant activity. In addition, this flour exhibited higher water-holding, oil-holding and swelling capacities than those of fruit by-products reported in the literature. Fourier-transform infrared spectroscopy confirmed the presence of functional groups of cellulose, hemicellulose, and lignin, constituents of insoluble dietary fiber. By the paper spray-mass spectrometry technique, it was possible to suggest the presence of 26 substances such as organic acids, phenolic acids, flavonoids, sugars, quinones, and terpenoids. Thus, this study demonstrated that the ripe banana peel flour has potential application as an ingredient for functional foods.
DOI: 10.6084/m9.figshare.14278907
title: APPLICATION OF COMPUTER FLUID DYNAMICS (CFD) AND ANALYSIS OF ACCELERATORS IN FIRE INVESTIGATION

description: Fire investigation is a complex activity that involves skill, technology, knowledge and science and aims to elucidate fire-related events such as cause, origin, propagation, phenomena, etc. Chemical analysis to verify the presence of foreign substances in that location, as well as the use of fire simulation software are efficient and economical ways to study fire behavior during the occurrence of fire. This work demonstrates the application of Gas Chromatography coupled to Mass Spectrometry (GC-MS) in the analysis for gasoline and diesel identification in different substrates, as well as the application of computational fluid dynamics (CFD) to aid in the elucidation of fires. The chemical analyses performed showed the possibility of identifying the presence of accelerants even in small quantities (1 µL) and in different types of materials (wood, polyethylene, polyurethane, polyamide and newsprint). The computational model generated by the software proved to be consistent with the data obtained at the scene by the fire expert, thus serving in the hypothesis discard and conclusion of the investigation.
DOI: 10.6084/m9.figshare.14278913
title: KAURENOIC ACID DETERMINATION IN EXTRACT, TINCTURE AND SYRUP OF Mikania glomerata BY HPLC-QQQ-MS/MS

description: This work aims to develop a rapid and reliable method by HPLC-QqQ-MS/MS for identification and quantification of Kaurenoic acid (KA) in extract, tincture and syrup from Mikania glomerata. The developed method allows identifying and quantifying KA in complex samples obtained from extract marketed in pharmaceutical industry, a tincture prepared with the leaves from plant and two syrups purchased in the local market. The quantification was performed using standard addition calibration curve. An accurate method for Kaurenoic acid determination in M. glomerata samples was developed. The concentrations of KA found in M. glomerata were 0.19 mg mL-1 in the commercial extract, 0.93 mg mL-1 in the tincture, 3.00 x 10-3 mg mL-1 in the syrup B and in syrup A was not possible to quantify due to the concentration is below the detection limit. Since most reports describe the quantification of the main active constituent (coumarin) and do not provide relevant information on the quantification of KA in these sample types (syrup and tincture), the developed method represents an excellent alternative for agile and efficient analysis of the KA in complex matrices from simple dilution.
DOI: 10.6084/m9.figshare.14278913.v1
title: KAURENOIC ACID DETERMINATION IN EXTRACT, TINCTURE AND SYRUP OF Mikania glomerata BY HPLC-QQQ-MS/MS

description: This work aims to develop a rapid and reliable method by HPLC-QqQ-MS/MS for identification and quantification of Kaurenoic acid (KA) in extract, tincture and syrup from Mikania glomerata. The developed method allows identifying and quantifying KA in complex samples obtained from extract marketed in pharmaceutical industry, a tincture prepared with the leaves from plant and two syrups purchased in the local market. The quantification was performed using standard addition calibration curve. An accurate method for Kaurenoic acid determination in M. glomerata samples was developed. The concentrations of KA found in M. glomerata were 0.19 mg mL-1 in the commercial extract, 0.93 mg mL-1 in the tincture, 3.00 x 10-3 mg mL-1 in the syrup B and in syrup A was not possible to quantify due to the concentration is below the detection limit. Since most reports describe the quantification of the main active constituent (coumarin) and do not provide relevant information on the quantification of KA in these sample types (syrup and tincture), the developed method represents an excellent alternative for agile and efficient analysis of the KA in complex matrices from simple dilution.
DOI: 10.6084/m9.figshare.14278907.v1
title: APPLICATION OF COMPUTER FLUID DYNAMICS (CFD) AND ANALYSIS OF ACCELERATORS IN FIRE INVESTIGATION

description: Fire investigation is a complex activity that involves skill, technology, knowledge and science and aims to elucidate fire-related events such as cause, origin, propagation, phenomena, etc. Chemical analysis to verify the presence of foreign substances in that location, as well as the use of fire simulation software are efficient and economical ways to study fire behavior during the occurrence of fire. This work demonstrates the application of Gas Chromatography coupled to Mass Spectrometry (GC-MS) in the analysis for gasoline and diesel identification in different substrates, as well as the application of computational fluid dynamics (CFD) to aid in the elucidation of fires. The chemical analyses performed showed the possibility of identifying the presence of accelerants even in small quantities (1 µL) and in different types of materials (wood, polyethylene, polyurethane, polyamide and newsprint). The computational model generated by the software proved to be consistent with the data obtained at the scene by the fire expert, thus serving in the hypothesis discard and conclusion of the investigation.
DOI: 10.6084/m9.figshare.14278917
title: BACTERIAL NANOCELLULOSE BIOMEMBRANE AS A SUPPORT FOR HUMAN INSULIN AIMING AT TRANSDERMAL PERMEATION

description: Production of bacterial nanocellulose was pursued as a matrix system for the stabilization of human insulin. The biomembranes produced by Gluconacetobacter hansenii were washed with 2% aqueous sodium dodecylsulfate solution, rinsed with ultrapure water and immersed in 1 mol L-1 NaOH aqueous solution at 60 °C for 90 min until neutralization. For the insulin adsorption assays, the biomembranes were soaked in a buffered solution of human insulin until no protein could be detected in the supernatant. The membranes with adsorbed insulin were characterized via mechanical resistance (resilience, relaxation, perforation), Differential Scanning Calorimetry (DSC), Thermal Gravimetrical Analysis (TGA), Fourier Transform Infrared Spectrophotometry (FTIR), X-ray diffraction (XRD) and Field Emission Scanning Electron Microscopy (FESEM) analyses. The FESEM photomicrographs of the surface of the biomembranes showed a rugged surface without cracks. The biomembranes exhibited adequate mechanical characteristics. The infrared spectra indicated that the chemical aspect of the protein moiety was preserved during adsorption onto the BNC biomembranes. According to the XRD analyses, the biomembranes showed a generalized amorphous behavior. Thermal analyses indicated an adequate thermal stability for a pharmaceuticals product. Hence, an elastic and malleable biomembrane was produced, suitable for incorporation of human insulin, aiming at transdermal delivery.
DOI: 10.6084/m9.figshare.14278917.v1
title: BACTERIAL NANOCELLULOSE BIOMEMBRANE AS A SUPPORT FOR HUMAN INSULIN AIMING AT TRANSDERMAL PERMEATION

description: Production of bacterial nanocellulose was pursued as a matrix system for the stabilization of human insulin. The biomembranes produced by Gluconacetobacter hansenii were washed with 2% aqueous sodium dodecylsulfate solution, rinsed with ultrapure water and immersed in 1 mol L-1 NaOH aqueous solution at 60 °C for 90 min until neutralization. For the insulin adsorption assays, the biomembranes were soaked in a buffered solution of human insulin until no protein could be detected in the supernatant. The membranes with adsorbed insulin were characterized via mechanical resistance (resilience, relaxation, perforation), Differential Scanning Calorimetry (DSC), Thermal Gravimetrical Analysis (TGA), Fourier Transform Infrared Spectrophotometry (FTIR), X-ray diffraction (XRD) and Field Emission Scanning Electron Microscopy (FESEM) analyses. The FESEM photomicrographs of the surface of the biomembranes showed a rugged surface without cracks. The biomembranes exhibited adequate mechanical characteristics. The infrared spectra indicated that the chemical aspect of the protein moiety was preserved during adsorption onto the BNC biomembranes. According to the XRD analyses, the biomembranes showed a generalized amorphous behavior. Thermal analyses indicated an adequate thermal stability for a pharmaceuticals product. Hence, an elastic and malleable biomembrane was produced, suitable for incorporation of human insulin, aiming at transdermal delivery.
DOI: 10.6084/m9.figshare.14278918
title: THE CHEMISTRY OF SANITIZERS IN COVID-19 TIMES: DO YOU KNOW HOW IT WORKS?

description: In December 2019, the first case of severe acute respiratory syndrome (COVID-19), caused by the new coronavirus (SARS-CoV-2) was reported and the disease was declared as a worldwide pandemic in March 2020. As there is no vaccine currently available, the daily hygiene cleaning habits and social distance are the ways to fight COVID-19 indicated by the WHO. Hand and surface hygiene has become essential and the use of 60-90% ethanol is recommended for its effective biocide action. Phenol-based products are effective sanitizers, but they can cause irritation and are not recommended for surfaces that come into contact with food. There are quaternary ammonium salts that present low toxic and are good sanitizers, as they can cause the denaturation of proteins and disruption of viral lipid bilayer. Sodium hypochlorite is one of the most used sanitizers due to its low cost and effective oxidative capacity. In the same direction, peroxides are also used as a biocide, as they cause oxidation of lipids and denaturation of viral proteins. The goal of this paper is to describe the action modes and chemical concepts of the sanitizers recommended by the ANVISA-Brazil to be used against the new coronavirus.
DOI: 10.6084/m9.figshare.14278918.v1
title: THE CHEMISTRY OF SANITIZERS IN COVID-19 TIMES: DO YOU KNOW HOW IT WORKS?

description: In December 2019, the first case of severe acute respiratory syndrome (COVID-19), caused by the new coronavirus (SARS-CoV-2) was reported and the disease was declared as a worldwide pandemic in March 2020. As there is no vaccine currently available, the daily hygiene cleaning habits and social distance are the ways to fight COVID-19 indicated by the WHO. Hand and surface hygiene has become essential and the use of 60-90% ethanol is recommended for its effective biocide action. Phenol-based products are effective sanitizers, but they can cause irritation and are not recommended for surfaces that come into contact with food. There are quaternary ammonium salts that present low toxic and are good sanitizers, as they can cause the denaturation of proteins and disruption of viral lipid bilayer. Sodium hypochlorite is one of the most used sanitizers due to its low cost and effective oxidative capacity. In the same direction, peroxides are also used as a biocide, as they cause oxidation of lipids and denaturation of viral proteins. The goal of this paper is to describe the action modes and chemical concepts of the sanitizers recommended by the ANVISA-Brazil to be used against the new coronavirus.
DOI: 10.6084/m9.figshare.14278919
title: SYNTHESIS, CHARACTERIZATION AND ANTIMICROBIAL ACTIVITY OF NEW Cu (II), Co (II) AND Sn (II) COMPLEXES WITH THE SODIUM HYDROTRIS(2-MERCAPTOTHIAZOLYL)BORATE LIGAND

description: The emergence of antibiotic resistance among microbial pathogens is a serious public health problem, resulting in a constant need of discovering new antibiotics. For this purpose, we synthetized and determined the antimicrobial activity of copper (Cu), cobalt (Co), and tin (Sn) complexes coordinated with scorpionate ligand in a tridentate mode against microorganisms of clinical importance. New complexes with the sodium hydrotris(2-mercaptothiazolyl)borate ligand were characterized by physicochemical and spectroscopic techniques (UV-vis, IR, 1H and 13C NMR). Moreover, their antimicrobial activity was evaluated using microdilution broth method. Cytotoxicity was determined in Vero cells and the selectivity index (SI) was calculated. The coordination with metals increased the ligand antimicrobial activity, which showed no activity when evaluated alone (MIC&gt;1,080 µM). Cu-complex (1) had activity against Candida albicans and C. krusei, with MICs of 130 and 66 µM, respectively. The compounds had low toxicity on Vero cells and chemo-informatics assays corroborated a low systemic toxic effect. The SI revealed that the compound 1 was 16 times more selective for C. krusei and 8 times more selective for C. albicans in relation to Vero cells. The Cu-complex stands out as a potential prototype for the development of new antifungal agents.
DOI: 10.6084/m9.figshare.14278919.v1
title: SYNTHESIS, CHARACTERIZATION AND ANTIMICROBIAL ACTIVITY OF NEW Cu (II), Co (II) AND Sn (II) COMPLEXES WITH THE SODIUM HYDROTRIS(2-MERCAPTOTHIAZOLYL)BORATE LIGAND

description: The emergence of antibiotic resistance among microbial pathogens is a serious public health problem, resulting in a constant need of discovering new antibiotics. For this purpose, we synthetized and determined the antimicrobial activity of copper (Cu), cobalt (Co), and tin (Sn) complexes coordinated with scorpionate ligand in a tridentate mode against microorganisms of clinical importance. New complexes with the sodium hydrotris(2-mercaptothiazolyl)borate ligand were characterized by physicochemical and spectroscopic techniques (UV-vis, IR, 1H and 13C NMR). Moreover, their antimicrobial activity was evaluated using microdilution broth method. Cytotoxicity was determined in Vero cells and the selectivity index (SI) was calculated. The coordination with metals increased the ligand antimicrobial activity, which showed no activity when evaluated alone (MIC&gt;1,080 µM). Cu-complex (1) had activity against Candida albicans and C. krusei, with MICs of 130 and 66 µM, respectively. The compounds had low toxicity on Vero cells and chemo-informatics assays corroborated a low systemic toxic effect. The SI revealed that the compound 1 was 16 times more selective for C. krusei and 8 times more selective for C. albicans in relation to Vero cells. The Cu-complex stands out as a potential prototype for the development of new antifungal agents.
DOI: 10.6084/m9.figshare.14278922
title: ALCOHOL BASED SOLUTIONS FOR HAND AND SURFACE SANITATION IN THE PREVENTION OF COVID-19: INFORMATIVE COMPENDIUM REGARDING THE INVOLVED CHEMISTRY

description: The recent coronavirus pandemic has already victimized hundreds of thousands of people around the world, and until this moment does not exist any medicine for healing or vaccine to avoid the contamination. Therefore, the actions of social isolation associated with the use of masks and surface and hand sanitation are the most effective actions to avoid the virus dissemination. The hands are one of the main vectors of contagious, and should be washed constantly and sanitized with some disinfectant agent. Among the recommendations, the formulations based on ethyl alcohol and isopropyl alcohol are the most used, being the efficiency of these formulations based on the alcohol type, the concentration, the applied volume, and the contact time. The gel disinfectants are preferred by the population due to the facile and safer manipulation. However, due to the pandemic, the main gelling agent has become sparse and, in the function of this, some countries authorized the utilization of alternative formulations. The World Health Organization recommends two formulations, being one based on ethyl alcohol (80 Vol%) and the second on isopropyl alcohol (75 Vol%), destined for the local manufacture and with a fast and effective action.
DOI: 10.6084/m9.figshare.14278924.v1
title: EVALUATING OF DIFFICULTIES OF UNDERGRADUATE ON THE REPORT OF CHEMISTRY LAB EXPERIMENTAL

description: Scientific reports are important tools for show results of experimental activities undertaken at undergraduate level. The aims of this research were detecting difficulties of undergraduate students in the elaboration of reports in the experimental chemistry subjects of students of the Science: Biology and Chemistry course at the Federal University of Amazonas in different periods (2nd to 10th). Results and discussion and theoretical bibliographic were topics reported with the most difficulty. The students showed little reading habit, however, which increases with the time they spend in university, also reflecting the retention rate in the experimental subjects. These results point to possibilities to reduce the difficulties in the elaboration of experimental reports by intervention alternatives more appropriate to the desired learning process, based on the students’ reality. Detecting these points becomes an important to assist them in the learning process of academic writing.