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1.
Talanta ; 236: 122845, 2022 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-34635235

RESUMO

Acetone serves as a routine solvent and synthetic intermediate in chemical factories and laboratories. Monitoring the level of acetone vapor in working environment is of great necessity to employee health due to its strong volatility and toxicity, but there is still in lack of simple and easy-to-use portable sensors. In this study, we report a portable and intuitive indicator for real-time displaying acetone vapor concentration in air, based on the ratiometric fluorescence response of the designed organic molecule, PhB-SSB, to acetone. As an aggregation-induced emission (AIE) fluorophore, PhB-SSB underwent specific reaction with acetone through the salicylaldehyde Schiff base and phenylboronate groups to realize ratiometric fluorescence change from green to red after acetone vapor treatment. The reaction mechanism was proposed as acetone-induced breakage of the imine bond in PhB-SSB. We further fabricated PhB-SSB into a film fluorescent sensor for acetone vapor with good sensitivity and selectivity. Taking advantage of its intuitive fluorescent color contrast, acetone-specific response and small size, our sensor is practical in real-time alarming the acetone vapor hazard in the workplaces.


Assuntos
Acetona , Gases , Corantes Fluorescentes , Espectrometria de Fluorescência
2.
Biosens Bioelectron ; 195: 113650, 2022 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-34560350

RESUMO

Accurate assessment of dietary macronutrients intake is critical for the effective management of multiple diseases, such as obesity, diabetes, cardiovascular disease, metabolic disease, and cancer. Conventional self-reporting method is burdensome, inaccurate, and often biased. Though blood analysis and breath analysis can provide evidence-based information, they are either invasive or subject to human errors. Here we reported a wearable transdermal volatile biomarkers detection system based on novel colorimetric sensing technology for dietary macronutrients intake assessment. This technique quantifies the emission rates of transdermal volatile biomarkers via a gradient-based colorimetric array sensor (GCAS). The optical system of the GCAS device tracks the localized color development associated with the chemical reaction between the volatile biomarkers and the porous sensing probes, and determines the biomarkers emission rates through image processing algorithms. The localized chemical reaction and the image-based signal processing also make the GCAS capable for multiplexed detection of multiple analytes simultaneously. The GCAS sensor has been applied for transdermal acetone detection on 5 subjects in a keto diet intervention. The study indicates that the transdermal acetone increases after the subjects consuming keto diets and it decreases to basal level after intaking carb-rich diets. The transdermal acetone response from the GCAS sensor correlates well with breath acetone concentration in the range between 0 and 40 ppm and the correlation factor (R2) is as high as 0.8877. This method provides a noninvasive, low-cost, and wearable tool for assessing dietary macronutrients intake outside of lab or hospital settings. It could be widely applied in disease management, weight control, and nutrition management.


Assuntos
Técnicas Biossensoriais , Colorimetria , Acetona , Biomarcadores , Testes Respiratórios , Humanos
3.
J Colloid Interface Sci ; 606(Pt 1): 261-271, 2022 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-34390993

RESUMO

Morphological and structural characteristics of semiconductors have a significant impact on their gas sensing characteristics. Reasonable design and synthesis of heterojunctions with special structures can effectively improve sensor performance. Herein, a cobalt oxide (Co3O4) nanofibers/cadmium sulfide (CdS) nanospheres hybrid was synthesized by an electrospinning method combined with a hydrothermal method to detect acetone gas. By adjusting loading amount of CdS, the sensing performance of CdS/Co3O4 sensor for acetone at room temperature (25 °C) was greatly ameliorated. In particular, the response of CdS/Co3O4 to 50 ppm acetone gas increased by 25% under 520 nm green light, meanwhile, the response/recovery time was shortened to 5 s/4 s. This is attributed to the heterojunction formed between CdS and Co3O4 as well as the influence of light excitation on the carrier concentration of the surfaces. Meanwhile, the unique high-porosity fiber structure and the catalytic action of cobalt ions also play an essential role in improving the performance. Furthermore, practical diabetic breath was experimentally simulated and proved the potential of the sensor in the future application of disease-assisted diagnosis.


Assuntos
Diabetes Mellitus , Nanofibras , Nanosferas , Acetona , Biomarcadores , Compostos de Cádmio , Humanos , Sulfetos
4.
J Colloid Interface Sci ; 607(Pt 1): 357-366, 2022 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-34509110

RESUMO

Gas sensors have become increasingly significant because of the rapid development in electronic devices that are applied in detecting noxious gases. Adjusting the crystal phase structure of sensing materials can optimize the band gap and oxygen-adsorptive capacity, which influences the gas sensing characteristics. Therefore, titanium dioxide (TiO2) materials with different crystal phase structures including rutile TiO2 nanorods (R-TiO2 NRs), anatase TiO2 nanoparticles (A-TiO2 NRs) and brookite TiO2 nanorods (B-TiO2 NRs) were synthesized successfully via one-step hydrothermal process, respectively. The gas sensing characteristics were also investigated systematically. The sensors based on R-TiO2 NRs displayed the higher response value (12.3) to 100 ppm acetone vapor at 320 °C compared to A-TiO2 NRs (4.1) and B-TiO2 NRs (2.3). Furthermore, gas sensors based on R-TiO2 NRs exhibited excellent repeatability under six cycles and good selectivity to acetone. The outstanding sensing properties of gas sensors based on R-TiO2 NRs can be ascribed to relatively narrow band gap and more oxygen vacancies of rutile phase, which showed a probable way for design gas sensors based on metal oxide semiconductors with remarkable gas sensing performances by the crystal phase adjustment engineering in the future.


Assuntos
Acetona , Nanoestruturas , Gases , Titânio
5.
Spectrochim Acta A Mol Biomol Spectrosc ; 266: 120434, 2022 Feb 05.
Artigo em Inglês | MEDLINE | ID: mdl-34624817

RESUMO

The luminescent properties of tryptophan in solvents less polar than water, such as acetone, and non-polar ones, such as cyclohexane, are experimentally studied and compared with theoretical calculations using time-dependent density functional theory (TD-DFT) methods. Since tryptophan may present different configurations and charge distributions, the most stable conformer is analyzed for both solvents, including its neutral and zwitterionic forms. To perform the simulation two clusters are proposed with the Zpt conformer in acetone: [Formula: see text] and [Formula: see text] , and four clusters with the Nag+ conformer in cyclohexane: (Trp)1-(C6H12), (Trp)2-(C6H12), (Trp)3-(C6H12) and (Trp)4-(C6H12), in order to conveniently emulate the concentration in each solvent by reducing the distance between adjacent tryptophan molecules as the concentration increases, since there is no control over the volume parameter. In each case, the UV-vis absorption is computed and compared with the experimental excitation spectra; the results show a good agreement. This calculation allows a more detailed analysis of the experimental results based on the properties of the molecular orbitals involved in electronic transitions. In the present work, a strong effect of the solvent acetone on tryptophan is observed; for this solvent, a charge transfer from the solute to solvent happens. This behavior does not occur with water (polar solvent) or cyclohexane (non-polar solvent). Finally, experimental spectroscopic data of Trp in cyclohexane are explained through the hydrogen bonds between amino acid molecules present in the fluorescent states. In this case, the theoretical and experimental results are compared and also show good agreement.


Assuntos
Acetona , Triptofano , Cicloexanos , Ligação de Hidrogênio , Solventes
6.
J Biotechnol ; 342: 1-12, 2021 Dec 10.
Artigo em Inglês | MEDLINE | ID: mdl-34648892

RESUMO

Clostridium beijerinckii population branches into metabolically diverse cell types in batch cultures. Here, we present a new kinetic model of C. beijerinckii's Acetone-Butanol-Ethanol fermentation that considers three cell types: producers of acids (acidogenic), consumer of acids and producers of solvents (solventogenic), and spores cells. The model accurately recapitulates batch culture data. Also, the model estimates cell type-specific kinetic parameters, which can be helpful to improve the operation of the ABE fermentation and give a framework to study acidogenic and solventogenic metabolic pathways. To exemplify the latter, we used a constraint-based model to study how the ABE pathways are used among acidogenic and solventogenic cell types. We found that among both cell types, glycolytic production of ATP and consumption of NAD+ varies widely during the fermentation, with their maximum production/consumption rates happening when acidogenic and solventogenic growth rates were at their highest. However, acidogenic cells use the ABE pathway to contribute with an extra 12.5% of the total production of ATP, whereas solventogenic cell types use the ABE pathway to supply more than 75% of the demand for NAD+, alternating between the production of lactate and butyrate, being both coupled to the production of NAD+.


Assuntos
Butanóis , Clostridium beijerinckii , Acetona , Clostridium , Etanol , Fermentação
7.
Anal Chim Acta ; 1180: 338876, 2021 Oct 02.
Artigo em Inglês | MEDLINE | ID: mdl-34538336

RESUMO

Secondary electrospray ionization coupled with high resolution mass spectrometry (SESI-HRMS) is a direct mass spectrometry technique, which can identify trace volatile organic compounds (VOCs) in real time without sample pretreatment and chromatographic separation. SESI-HRMS has been successfully applied in multiple applications, including breath analysis, animals and plants VOCs emissions, analysis of headspace of cell cultures and indoor and outdoor air. The range of areas where the technique can potentially have a substantial impact is very broad. However, one critical aspect that requires further development to consolidate the technique is absolute quantification. Therefore, in this study we aim to develop a quantitative method for eight representative VOCs, including ketones (acetone, 2-butanone and 2-pentanone), alkenes (isoprene and α-terpinene) and aromatics (toluene, styrene and mesitylene). The mass spectrometric platform includes a commercial SESI source hyphenated with a Q-Exactive hybrid quadrupole Orbitrap high resolution mass spectrometer. Within the concentration range of 0-100 ppbv studied, the optimal coefficient of determination for linear regression (R2 = 0.993-0.999) between signal intensity and concentration is obtained in the range of 0-10 ppbv for all eight VOCs. The detection limits range between 3 (2-Pentanone) and 15 (Acetone) pptv. The intra-day (n = 10) and inter-day (n = 30) coefficients of variation (CV) are ≤ 6% and ≤10%, respectively. Finally the method is applied for the fast evaluation (<5 min) of different materials widely used for the collection, storage or pretreatment of gas sample. Better recovery of trace levels of eight VOCs is observed for PTFE gas sampling bag as compared to Nalophan and Tedlar bags; when Nafion tube is used to pretreat the gas sample, recovery of ≤50% are obtained for 2-pentanone, α-terpinene and all three aromatics.


Assuntos
Compostos Orgânicos Voláteis , Acetona , Testes Respiratórios , Espectrometria de Massas por Ionização por Electrospray
8.
Bioresour Technol ; 341: 125834, 2021 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-34479139

RESUMO

Orange waste (OW), an abundant and severe globally environmental treat, was used for biobutanol and biohydrogen production emploing acetone-butanol-ethanol (ABE) fermentation through a biorefinery process. The solvent yield from untreated OW was insufficient; thus, the substrate was subjected to hydrothermal pretreatment before hydrolysis. The pretreatment at 140 ℃ for 30 min resulted in the solid with the highest yield of hydrolysis and fermentation. Moreover, the anaerobic digestion of hydrolysis residue produced appreciable amounts of biomethane. However, the pretreatment liquor was not fermentable; thus, it was detoxified by overliming for 24 h at 30 ℃ and then fermented. Overall, this sustainable biorefinery, based on pretreatment without any additional chemical agent, hydrolysis of pretreated solids, detoxification of pretreatment liquor, ABE fermentation, and anaerobic digestion of residues, produced 42.3 g biobutanol, 33.1 g acetone, 13.4 g ethanol, 104.5 L biohydrogen, and 28.3 L biomethane per kg of OW that contained 4560 kJ energy.


Assuntos
Biocombustíveis , Citrus sinensis , Acetona , Butanóis , Fermentação , Hidrólise
9.
Nat Commun ; 12(1): 5532, 2021 09 20.
Artigo em Inglês | MEDLINE | ID: mdl-34545089

RESUMO

Isopropenyl ethers are critical intermediates for accessing medicinally valuable ketal-based prodrugs and biomaterials, but traditional approaches for the synthesis of isopropenyl ethers suffer from poor functional group compatibility and harsh reaction conditions. Here, we develop an organocatalytic transisopropenylation approach to solve these challenges, enabling the synthesis of isopropenyl ethers from various hydroxyl-group-containing small-molecule drugs, polymers, and functional building blocks. The method provides a straightforward and versatile synthesis of isopropenyl ethers, features excellent tolerance of diverse functional groups, applies to a wide range of substrates, and allows scalable synthesis. The development of this organocatalytic transisopropenylation approach enables access to modular preparation of various acid-sensitive ketal-linked prodrugs and functionalized ketalated biomaterials. We expect our syntheses and transformations of isopropenyl ethers will find utility in several diverse fields, including medicinal chemistry, drug delivery, and biomaterials.


Assuntos
Álcoois/química , Materiais Biocompatíveis/química , Prenilação , Pró-Fármacos/química , Células 3T3 , Acetona/química , Álcoois/síntese química , Animais , Catálise , Feminino , Células HCT116 , Humanos , Camundongos , Camundongos Endogâmicos BALB C , Camundongos Nus
10.
Environ Toxicol Pharmacol ; 88: 103737, 2021 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-34481063

RESUMO

Climatic conditions raise new concerns about the potential impact of heat on the absorption and kinetics of certain chemicals. The impact of 3 temperatures (21, 25 and 30 °C WBGT) on the toxicokinetics of toluene and acetone was therefore evaluated in five human subjects during controlled exposures in an inhalation chamber. Biological samples were collected and analyzed by GC-MS/MS. Increases between 4 and 85 % were observed for solvents concentrations in blood (30 vs 21 °C) while decreases in urine samples for acetone and o-cresol were measured at the end of the exposure period (4 h). Mean blood concentrations at 4 h are well correlated with temperature. Results suggest an increased absorption and/or a decreased elimination of volatile chemicals in the presence of heat. Higher increases of blood chemical concentrations were observed in heavier individuals. Further studies should include physiologically based toxicokinetic models to help in better understanding the mechanisms involved and their respective contribution.


Assuntos
Acetona/farmacocinética , Temperatura Alta , Solventes/farmacocinética , Tolueno/farmacocinética , Acetona/sangue , Acetona/urina , Adulto , Testes Respiratórios , Humanos , Exposição por Inalação , Masculino , Projetos Piloto , Absorção Cutânea , Tolueno/sangue , Tolueno/urina , Adulto Jovem
11.
Artigo em Inglês | MEDLINE | ID: mdl-34501804

RESUMO

Indonesian universal health coverage was implemented in 2013 and hemodialysis services became universally accessible, yet few studies have examined patient adherence to hemodialysis schedules. We examined the rates of missed in-center hemodialysis sessions in Banda Aceh and the factors associated with non-attendance. This cross-sectional questionnaire survey included 193 patients receiving in-center hemodialysis. Approximately 28% of the patients missed ≥ 1 hemodialysis session in the month prior to the questionnaire's administration. About 65% reported attending religious activities as the reason for missing hemodialysis. The level of health literacy was generally low with a mean score of 14.38 out of 26 (55.3%). Multivariate logistic regression analyses showed that patients with educational levels higher than elementary school were less likely to miss hemodialysis sessions. Participants who performed more self-care behaviors had lower odds of missing hemodialysis sessions. Every unit increase in the health literacy score was associated with increased odds of missing hemodialysis sessions. Emphasizing the importance of attending hemodialysis sessions and modifying hemodialysis schedules based on patients' needs is essential. Patients who miss hemodialysis sessions should be reminded of all self-care behaviors. Health literacy among hemodialysis patients should be improved, with emphasis on patient safety, advanced knowledge, and critical health literacy.


Assuntos
Falência Renal Crônica , Acetona/análogos & derivados , Estudos Transversais , Humanos , Hidrazonas , Indonésia/epidemiologia , Falência Renal Crônica/epidemiologia , Falência Renal Crônica/terapia , Diálise Renal
12.
J Environ Sci (China) ; 107: 111-123, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-34412774

RESUMO

A series of highly-hydrophobic MIL-53-Al (MIL = Materials of Institut Lavoisier) frameworks synthesized via decoration of the Al-OH groups by alkyl phosphonic acid were developed as adsorbents for removing acetone from humid gas streams. The newly prepared materials were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscope (SEM), N2 adsorption-desorption and thermogravimetric analysis (TGA). Their adsorption behaviors toward acetone vapor under dry and wet conditions were studied subsequently. Results showed that alkyl phosphonic acid was successfully grafted into MIL-53-Al skeleton through coordinating interaction with Al3+ generating MIL-53-Al@Cx (x = 12, 14, 18). The MIL-53-Al@Cx exhibited similar crystal structure and thermal stability to parent MIL-53-Al. Furthermore, the modified materials showed significantly enhanced hydrophobicity. The water vapor uptake of MIL-53-Al@C14 decreased by 72.55% at 75% relative humidity (RH). Dynamic adsorption experiments demonstrated that water vapor had almost no effect on the acetone adsorption performance of MIL-53-Al@C14. Under the condition of 90% RH, the acetone adsorption capacity of MIL-53-Al@C14 was 102.98% higher than that of MIL-53-Al. Notably, MIL-53-Al@C14 presented excellent adsorption reversibility and regeneration performance in 10 adsorption-desorption cycles. Taken together, the strategy of metal-OH group modification is an attractive way to improve the acetone adsorption performance over metal-organic frameworks (MOFs) under humid conditions. Besides, MIL-53-Al@C14 would be deemed as a promising candidate for capturing acetone in high moisture environment.


Assuntos
Acetona , Adsorção , Interações Hidrofóbicas e Hidrofílicas , Dietilamida do Ácido Lisérgico/análogos & derivados , Espectroscopia de Infravermelho com Transformada de Fourier
13.
Environ Pollut ; 285: 117675, 2021 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-34380233

RESUMO

Absorption is an eminent technology for volatile organic compounds (VOCs) elimination with the merits of high efficiency and low cost. Absorbent plays a critical role in the absorption process, and the thermal stability, saturation capacity, and regeneration performance should be concerned. As a kind of green and eco-friendly solvent, ionic liquid (IL) is expected to be a substitute for the conventional VOCs absorbent. In this study, 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) is employed to absorb the modeling VOCs (toluene and acetone). Moreover, the used [Bmim][PF6] is recovered by thermal distillation and the reusability is then conducted by consecutive batch experiments. Based on that, the thermal stability of [Bmim][PF6] is comprehensively examined, in which the kinetic and thermodynamic parameters are also calculated. Results reveal that [Bmim][PF6] owned promising toluene absorption performance with inlet concentration of 3000 mg/m3 and flow rate of 300 mL/min at 20 °C, it possesses the saturated adsorption capacity of 5.16 mg/g. [Bmim][PF6] also shows satisfying thermal stability up to 610 K. In addition, thermal distillation is proved to be a reliable regeneration route on account of the recovered [Bmim][PF6] remained satisfying capacity even after five cycles.


Assuntos
Líquidos Iônicos , Acetona , Solventes , Termodinâmica , Tolueno
14.
Molecules ; 26(15)2021 Jul 27.
Artigo em Inglês | MEDLINE | ID: mdl-34361687

RESUMO

Hawthorn leaves are a rich source of phenolic compounds that possess beneficial activities for human health. Ultrasonic-assisted extraction (UAE) is an extraction technique frequently used for the isolation of phenolic compounds in plants. Thus, in this study, a Box-Behnken design was used to optimize UAE conditions such as the percentage of acetone, the extraction time and solvent-to-solid ratio (v/w) in order to obtain the maximum content of total compounds by Folin-Ciocalteu and the maximum in vitro antioxidant activity by DPPH, ABTS and FRAP assays in Crataegus monogyna leaves. The optimum conditions to obtain the highest total phenolic content and antioxidant activities were 50% acetone, 55 min and 1/1000 (w/v). A total of 30 phenolic compounds were identified and quantified in C. monogyna leaf extract obtained at these optimum UAE conditions. HPLC-MS allows the identification and quantification of 19 phenolic compounds and NP-HPLC-FLD analyses showed the presence of 11 proanthocyanidins. According to the results, the most concentrated phenolic compounds in C. monogyna leaf extract obtained at optimum UAE conditions were phenolic acid derivatives such as protocatechuic acid-glucoside, dihydroxy benzoic acid pentoside and chlorogenic acid, flavones such as 2″-O-rhamnosyl-C-hexosyl-apigenin, flavonols such as hyperoside and isoquercetin and proanthocyanidins such as monomer and dimer. As a result, the optimized UAE conditions could be used to obtain an extract of C. monogyna leaves enriched with phenolic compounds.


Assuntos
Antioxidantes/química , Crataegus/química , Extração Líquido-Líquido/métodos , Fenóis/química , Folhas de Planta/química , Ondas Ultrassônicas , Acetona/química , Cromatografia Líquida de Alta Pressão/métodos , Espectrometria de Massas/métodos , Proantocianidinas/química , Solventes/química , Água/química
15.
Parasitol Res ; 120(10): 3437-3449, 2021 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-34424423

RESUMO

This study aimed to determine in vitro anthelmintic activity of plant extracts of eleven plant species used traditionally in South Africa to treat various disorders including symptoms related to nematode infections, and to isolate bioactive compounds from the most active plant extract. Crude plant extracts were tested on different life-cycle stages of Haemonchus contortus. The cytotoxicity of the most active extracts, fractions and compounds was evaluated on Vero cells and the most potent extract, fractions and compounds were tested for their ability to kill the parasitic H. contortus and the free-living nematode Caenorhabditis elegans. Typha capensis acetone extract had the strongest egg hatching inhibitory effect with an EC50 of 184.94 µg/mL, and this extract also halted larval development of H. contortus with an EC50 of 83.30 µg/mL compared to the positive control (albendazole) with an EC50 of 2.66 µg/mL. Typha capensis crude extract and its butanol fraction had promising anthelmintic activity against both parasitic H. contortus and free-living C. elegans. Two compounds isolated from T. capensis, namely, isorhamnetin-3-O-ß-D-glucoside and isorhamnetin 3-O-rutinoside, had antioxidant activity with IC50 values of 3.16 µg/mL and 0.96 µg/mL respectively, and good anthelmintic activity against H. contortus with IC50 values of 55.61 µg/mL and 145.17 µg/mL respectively. Identification of bioactive compounds from the T. capensis crude extract supports development of this extract as a complementary or alternative treatment against haemonchosis. However, further research is necessary to confirm the anthelmintic efficacy of the plant, including in vivo studies.


Assuntos
Anti-Helmínticos , Haemonchus , Typhaceae , Acetona/farmacologia , Animais , Anti-Helmínticos/farmacologia , Caenorhabditis elegans , Chlorocebus aethiops , Larva , Extratos Vegetais/farmacologia , Células Vero
16.
Angew Chem Int Ed Engl ; 60(43): 23232-23240, 2021 10 18.
Artigo em Inglês | MEDLINE | ID: mdl-34339587

RESUMO

The microbiome has a fundamental impact on the human host's physiology through the production of highly reactive compounds that can lead to disease development. One class of such compounds are carbonyl-containing metabolites, which are involved in diverse biochemical processes. Mass spectrometry is the method of choice for analysis of metabolites but carbonyls are analytically challenging. Herein, we have developed a new chemical biology tool using chemoselective modification to overcome analytical limitations. Two isotopic probes allow for the simultaneous and semi-quantitative analysis at the femtomole level as well as qualitative analysis at attomole quantities that allows for detection of more than 200 metabolites in human fecal, urine and plasma samples. This comprehensive mass spectrometric analysis enhances the scope of metabolomics-driven biomarker discovery. We anticipate that our chemical biology tool will be of general use in metabolomics analysis to obtain a better understanding of microbial interactions with the human host and disease development.


Assuntos
Acetaldeído/análise , Acetona/análise , Aldeídos/análise , Butanonas/análise , Di-Hidroxiacetona/análise , Metabolômica/métodos , Acetaldeído/sangue , Acetaldeído/química , Acetaldeído/urina , Acetamidas/química , Acetona/sangue , Acetona/química , Acetona/urina , Aldeídos/sangue , Aldeídos/química , Aldeídos/urina , Butanonas/sangue , Butanonas/química , Butanonas/urina , Carbono/química , Isótopos de Carbono/química , Di-Hidroxiacetona/sangue , Di-Hidroxiacetona/química , Di-Hidroxiacetona/urina , Fezes/química , Microbioma Gastrointestinal , Humanos , Indicadores e Reagentes/química , Limite de Detecção , Urina/química
17.
Metab Eng ; 68: 14-25, 2021 11.
Artigo em Inglês | MEDLINE | ID: mdl-34438073

RESUMO

While biomass-derived carbohydrates have been predominant substrates for biological production of renewable fuels, chemicals, and materials, organic waste streams are growing in prominence as potential alternative feedstocks to improve the sustainability of manufacturing processes. Catalytic fast pyrolysis (CFP) is a promising approach to generate biofuels from lignocellulosic biomass, but it generates a complex, carbon-rich, and toxic wastewater stream that is challenging to process catalytically but could be biologically upgraded to valuable co-products. In this work, we implemented modular, heterologous catabolic pathways in the Pseudomonas putida KT2440-derived EM42 strain along with the overexpression of native toxicity tolerance machinery to enable utilization of 89% (w/w) of carbon in CFP wastewater. The dmp monooxygenase and meta-cleavage pathway from Pseudomonas putida CF600 were constitutively expressed to enable utilization of phenol, cresols, 2- and 3-ethyl phenol, and methyl catechols, and the native chaperones clpB, groES, and groEL were overexpressed to improve toxicity tolerance to diverse aromatic substrates. Next, heterologous furfural and acetone utilization pathways were incorporated, and a native alcohol dehydrogenase was overexpressed to improve methanol utilization, generating reducing equivalents. All pathways (encoded by genes totaling ~30 kilobases of DNA) were combined into a single strain that can catabolize a mock CFP wastewater stream as a sole carbon source. Further engineering enabled conversion of all aromatic compounds in the mock wastewater stream to (methyl)muconates with a ~90% (mol/mol) yield. Biological upgrading of CFP wastewater as outlined in this work provides a roadmap for future applications in valorizing other heterogeneous waste streams.


Assuntos
Pseudomonas putida , Acetona , Furaldeído , Pseudomonas putida/genética , Pirólise , Ácido Sórbico/análogos & derivados , Águas Residuárias
18.
Molecules ; 26(11)2021 Jun 07.
Artigo em Inglês | MEDLINE | ID: mdl-34200376

RESUMO

The dissolution rate is the rate-limiting step for Biopharmaceutics Classification System (BCS) class II drugs to enhance their in vivo pharmacokinetic behaviors. There are some factors affecting the dissolution rate, such as polymorphism, particle size, and crystal habit. In this study, to improve the dissolution rate and enhance the in vivo pharmacokinetics of sorafenib tosylate (Sor-Tos), a BCS class II drug, two crystal habits of Sor-Tos were prepared. A plate-shaped crystal habit (ST-A) and a needle-shaped crystal habit (ST-B) were harvested by recrystallization from acetone (ACN) and n-butanol (BuOH), respectively. The surface chemistry of the two crystal habits was determined by powder X-ray diffraction (PXRD) data, molecular modeling, and face indexation analysis, and confirmed by X-ray photoelectron spectroscopy (XPS) data. The results showed that ST-B had a larger hydrophilic surface than ST-A, and subsequently a higher dissolution rate and a substantial enhancement of the in vivo pharmacokinetic performance of ST-B.


Assuntos
Solubilidade/efeitos dos fármacos , Sorafenibe/química , Acetona/química , Biofarmácia/métodos , Química Farmacêutica/métodos , Cristalização/métodos , Interações Hidrofóbicas e Hidrofílicas , Tamanho da Partícula , Pós/química , Difração de Raios X/métodos
19.
Molecules ; 26(13)2021 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-34208968

RESUMO

Two common extraction solvent systems, namely acidified aqueous methanol and acidified aqueous acetone, were used to extract blackberry phenolics, and the antioxidant properties of the recovered extracts were compared. The crude extracts were fractionated into low- and high-molecular-weight phenolics by Sephadex LH-20 column chromatography. The hydrophilic-oxygen radical absorbance capacity (H-ORACFL), ferric reducing antioxidant power (FRAP), and the cellular antioxidant activity (CAA) assays were employed as indices to assess antioxidant capacity of the extracts and their respective fractions. The methanolic solvent system displayed a greater efficiency at extracting anthocyanin and flavonol constituents from the blackberries, while the acetonic solvent system was better at extracting flavan-3-ols and tannins. Anthocyanins were the dominant phenolic class found in the blackberries with 138.7 ± 9.8 mg C3G eq./100 g f.w. when using methanol as the extractant and 114.6 ± 3.4 mg C3G eq./100 g f.w. when using acetone. In terms of overall antioxidant capacity of blackberry phenolics, the acetonic solvent system was superior. Though present only as a small percentage of the total phenolics in each crude extract, the flavan-3-ols (42.37 ± 2.44 and 51.44 ± 3.15 mg/100 g f.w. in MLF and ALF, respectively) and ellagitannins (5.15 ± 0.78 and 9.31 ± 0.63 mg/100 g f.w. in MHF and AHF, respectively) appear to account for the differences in the observed antioxidant activity between the two solvent systems.


Assuntos
Acetona/química , Antocianinas , Antioxidantes , Metanol/química , Extratos Vegetais/química , Rubus/química , Antocianinas/química , Antocianinas/isolamento & purificação , Antioxidantes/química , Antioxidantes/isolamento & purificação , Fenóis/química , Fenóis/isolamento & purificação , Solventes/química , Estados Unidos
20.
Int J Mol Sci ; 22(13)2021 Jun 23.
Artigo em Inglês | MEDLINE | ID: mdl-34201477

RESUMO

Pyranoanthocyanins are anthocyanin-derived pigments with higher stability to pH and storage. However, their slow formation and scarcity in nature hinder their industrial application. Pyranoanthocyanin formation can be accelerated by selecting anthocyanin substitutions, cofactor concentrations, and temperature. Limited information is available on the impacts of the chemical structure of the cofactor and anthocyanin; therefore, we evaluated their impacts on pyranoanthocyanin formation efficiency under conditions reported as favorable for the reaction. Different cofactors were evaluated including pyruvic acid, acetone, and hydroxycinnamic acids (p-coumaric, caffeic, ferulic, and sinapic acid) by incubating them with anthocyanins in a molar ratio of 1:30 (anthocyanin:cofactor), pH 3.1, and 45 °C. The impact of the anthocyanin aglycone was evaluated by incubating delphinidin, cyanidin, petunidin, or malvidin derivatives with the most efficient cofactor (caffeic acid) under identical conditions. Pigments were identified using UHPLC-PDA and tandem mass spectrometry, and pyranoanthocyanin formation was monitored for up to 72 h. Pyranoanthocyanin yields were the highest with caffeic acid (~17% at 72 h, p < 0.05). When comparing anthocyanins, malvidin-3-O-glycosides yielded twice as many pyranoanthocyanins after 24 h (~20%, p < 0.01) as cyanidin-3-O-glycosides. Petunidin- and delphinidin-3-O-glycosides yielded <2% pyranoanthocyanins. This study demonstrated the importance of anthocyanin and cofactor selection in pyranoanthocyanin production.


Assuntos
Antocianinas/química , Ácidos Cumáricos/química , Acetona/química , Berberis/química , Ácidos Cafeicos/química , Glicosídeos/química , Estrutura Molecular , Piranos/química , Ácido Pirúvico/química
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