Chemical Speciation of constituents in pyrolytic liquid from cassava harvest residues by APPI-Orbitrap MS

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Optimization of atmospheric pressure photoionization for the crude oil analysis using ultra-high resolution mass spectrometry

FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULODesign of experiments (DOE) applied to mass spectrometry (MS), mainly focusing on the optimization of ionization techniques, has been applied to optimize experiments in order to provide the highest amount of information with the lowest number of experimen304819829FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO2013/19161-

Comparing crude oils with different API gravities on a molecular level using mass spectrometric analysis. Part 2: resins and asphaltenes

FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOThe combination of fractionation methods for crude oils, such as saturate, aromatic, resin and asphaltene (SARA) fractionation, in combination with analysis by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has been used for reduc1110FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO2013/19161-42015/05818-

Thermal Conversion of Sugarcane Bagasse Coupled with Vapor Phase Hydrotreatment over Nickel-Based Catalysts: A Comprehensive Characterization of Upgraded Products

In the present work, we compared the chemical profile of the organic compounds produced in non-catalytic pyrolysis of sugarcane bagasse at 500 °C with those obtained by the in-line catalytic upgrading of the vapor phase at 350 °C. The influence over the chemical profile was evaluated by testing two Ni-based catalysts employing an inert atmosphere (N2) and a reactive atmosphere (H2) under atmospheric pressure with yields of the liquid phase varying from 55 to 62%. Major changes in the chemical profile were evidenced in the process under the H2 atmosphere, wherein a higher degree of deoxygenation was identified due to the effect of synergistic action between the catalyst and H2. The organic fraction of the liquid phase, called bio-oil, showed an increase in the relative content of alcohols and phenolic compounds in the GC/MS fingerprint after the upgrading process, corroborating with the action of the catalytic process upon the compounds derived from sugar and carboxylic acids. Thus, the thermal conversion of sugarcane bagasse, in a process under an H2 atmosphere and the presence of Ni-based catalysts, promoted higher deoxygenation performance of the pyrolytic vapors, acting mainly through sugar dehydration reactions. Therefore, the adoption of this process can potentialize the use of this waste biomass to produce a bio-oil with higher content of phenolic species, which have a wide range of applications in the energy and industrial sectors

Petroleomics by ion mobility mass spectrometry: resolution and characterization of contaminants and additives in crude oils and petrofuels

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Ion mobility-mass spectrometry (IM-MS), performed with exceptional resolution and sensitivity in a new uniform-field drift tube ion mobility quadrupole time-of-flight (IM-QTOF) instrument, is shown to provide a useful tool for resolving and characterizing crude oils and their contaminants, as well as petrofuels and their additives. Whereas direct analysis of a crude oil sample contaminated with demulsifiers by the classical ESI(+/-)-FTICR-MS petroleomic approach was unsatisfactory since it responds only with abundance and m/z, and ionization is impaired due to suppression of polar compounds of crude oil by additives likely used in petroleum industry, IM-MS enables mobility separation of ions, particularly of double bond equivalent (DBE) series for a giving CnX class providing separated spectra which are typical obtained either for the crude oil or the contaminants, even suffering of ion suppression or low ionization efficiency. The combination of improved IM resolution and high mass resolving power (40,000@400) of the QTOF instrument provides useful information on class (N, NO, NS, etc.), carbon number (C-n), and unsaturation (DBE) levels for crude oils, allowing one to infer geochemical properties from DBE trends that can be compared with IM-MS data. As demonstrated by results of gasoline samples with additives, the IM-MS system also allows efficient separation and characterization of additives and contaminants in petrofuels.Ion mobility-mass spectrometry (IM-MS), performed with exceptional resolution and sensitivity in a new uniform-field drift tube ion mobility quadrupole time-of-flight (IM-QTOF) instrument, is shown to provide a useful tool for resolving and characterizing71144504463FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)FAPESP [2013/19161-4]2013/19161-4sem informaçãosem informaçãoWe would like to thank the Fundação de Amparo a Pesquisa do Estado de São Paulo (FAPESP) for the scholarship awarded to J.M.S. (process number 2013/19161-4), Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) and Conselho Nacional de Des

Thermochemical and catalytic conversion technologies for the development of Brazilian biomass utilization

The social, economic, and environmental impacts of climate change have been shown to affect poorer populations throughout the world disproportionally, and the COVID-19 pandemic of 2020–2021 has only exacerbated the use of less sustainable energy, fuel, and chemical sources. The period of economic and social recovery following the pandemic presents an unprecedented opportunity to invest in biorefineries based on the pyrolysis of agricultural residues. These produce a plethora of sustainable resources while also contributing to the economic valorization of first-sector local economies. However, biomass-derived pyrolysis liquid is highly oxygenated, which hinders its long-term stability and usability. Catalytic hydrogenation is a proposed upgrading method to reduce this hindrance, while recent studies on the use of nickel and niobium as low-cost catalysts, both abundant in Brazil, reinforce the potential synergy between different economic sectors within the country. This review gathers state-of-the-art applications of these technologies with the intent to guide the scientific community and lawmakers alike on yet another alternative for energy and commodities production within an environmentally sustainable paradigm

Antifungal activity of essential oils of Myrcia ovata chemotypes and their major compounds on phytopathogenic fungi

This work evaluated the antifungal activity of essential oils of Myrcia ovata chemotypes (MYRO-175, MYRO-156, MYRO-154, MYRO-165, and MYRO-015) and their major compounds (linalool, geraniol, citral, and (E)-nerolidol) on the phytopathogenic fungi Fusarium pallidoroseum (which causes melon postharvest rot) and Colletotrichum musae (which causes anthracnose in banana). The essential oils were obtained by hydrodistillation and analyzed by GCMS/FID. To evaluate the antifungal activity, the essential oils and their major compounds were tested at different concentrations (0.1; 0.3; 0.4; 0.5; 0.7; 1.0; 3.0, and 5.0 mL/L). The major compounds found in the essential oils were nerolic acid, linalool, geraniol, citral, and (E)-nerolidol. The essential oils of the plants MYRO-154, MYRO-165, and MYRO-015 had the minimum inhibitory concentration (MIC) (0.3 mL/L) for F. pallidoroseum and the lowest minimum fungicidal concentration (MFC) (0.7 mL/L), for C. musae. Geraniol and citral had the lowest MFC (0.5 mL / L) for the two fungi tested. For F. pallidoroseum, the essential oils of the chemotypes were more effective than their major compounds. Conversely, the major compounds geraniol of the chemotype MYRO-156 (74.37%) and citral were more effective than their respective essential oils for C. musae. (E)-nerolidol and geraniol of the chemotype MYRO-015 (33.15%) were responsible for the antifungal activity of the essential oils of their respective chemotypes