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The gasification of carbon with O2, CO2, and H2O oxidants plays an important role in several energy-based applications. As most of the industrial gasification processes are conducted under mixed-atmosphere conditions, the oxidation of carbon in binary oxidant mixtures becomes crucially important. Using reactive force-field (ReaxFF) potentials, extensive MD simulations were carried out on the oxidation behavior of graphene in mixed O2/H2O and O2/CO2 environments for a range of gas compositions and temperatures. A graphene sheet with a line defect comprising of eight and four-membered rings was used as the starting carbon structure. In addition to enhanced carbon gasification with oxygen additions, MD simulations showed synergistic interactions between different oxidants and their net influence on the overall reactivities. The gasification levels achieved under the binary system were higher than the linear combination of contributions from individual oxidants. The addition of â¼40% O2 in the binary mix was identified as the region with the highest reactivity during the initial stages of gasification. The oxidation reactions with oxygen were found to start instantaneously in the presence of H2O or CO2 instead of the usual initial delay. A very fast reaction kinetics was also observed in the initial stages in the presence of oxygen. Our results show that the gasification reactions under H2O and CO2 started at lower temperatures than O2 thereby creating a partially oxidized structure. Due to the presence of a large number of activation sites, very high rates of gasification were achieved with oxygen. These findings could help identify optimal oxidant compositions towards maximizing carbon gasification and minimizing CO2 emissions.
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CONTEXT: An atomistic coke carbon model was constructed to simulate the structural evolution in the gasification and stretching process. The coke model was placed in a box with different CO2/H2O content to investigate the evolution of the atomistic structure of coke during the gasification. It was found that different atmospheric concentrations had different effects on the structure and reaction sites of the coke model. The CO2 molecules tended to dissolve on the surface of coke and disrupt its surface structure, while H2O molecules were more likely to enter the coke model to disrupt the internal structure. For tensile simulation, it was found that CO2 and H2O had different effects on the tensile resistance of the coke model. Controlling the composition content of the reaction gas can effectively influence the tensile strength of the coke model. By revealing the behavior of coke model at the micro scale, it provides a theoretical basis for the industrial coke application process. METHODS: Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) was used to conduct the molecular dynamics using the reactive force field (ReaxFF). The atomistic model of coke carbon was constructed using the well-known annealing and quenching method, and its composition is determined according to the element analysis of industrial coke. The structural evolution in the gasification with CO2/H2O and the stretching process were analyzed in detail. Molecular dynamics simulations with reactive force field (ReaxFF-MD) were used to simulate the coke dissolution reaction under CO2/H2O atmosphere and the coke stretching process. The atmosphere ratio was modified to investigate the changes in coke structure under different atmosphere conditions. The Packmol software was used to place gas and coke models into the same box. During the reaction process, the Ovito software was used to perform corresponding visualization analysis on the changes in the atomic structure of coke.
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In this study, ReaxFF-MD was used to construct a large-molecule model of coke containing 3000 atoms, and the sp2 bond content of the model was controlled by changing the heating and cooling rates. The increase of the sp2 bond content led to a significant difference in the reactivity of coke. The presence of the sp2 bond caused the carbon atoms inside the coke to change into a circular structure, making it more difficult for the gaseous atoms to adsorb on the surface of the coke. It significantly reduced the gasification reaction rate of coke in the CO2 and H2O atmospheres. In the tensile simulation experiment, it was found that the stretching process of coke was mainly divided into three stages: an elastic stretching stage, a plastic stretching stage, and a model fracture stage. During the stretching process, the carbon ring structure would undergo a C-C bond fracture while generating carbon chains to resist stress. The results indicated that the presence of sp2 bonds can effectively reduce the phenomenon of excessive local stress on coke to improve its tensile resistance. The method developed in this paper may provide further ideas and platforms for the research on coke performance.
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Phellinus linteus is a famous medicinal mushroom which exhibits various biological activities. This study aimed to investigate the effects of solid-state fermentation by Ph. linteus on the yield of bioactive compounds and antioxidant activities of beans. Four bean substrates were prepared and inoculated with inoculum of three strains of Ph. linteus, respectively. During the cultivation, the harvested samples were dried, grounded, extracted, and determined the contents of bioactive compounds and antioxidant activities. The results indicated that the mung bean fermented by Ph. linteus 04 had the highest polysaccharide content (98.8 mg/g). The highest total phenolic and flavonoid contents were in fermented soybeans by Ph. linteus 03 (15.03 mg gallic acid equivalents/g and 63.24 mg rutin equivalents/g, respectively). The 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radical scavenging activities of hot water extracts were higher than those of ethanolic extracts for fermented beans by three Ph. linteus strains. However, the superoxide anion radical scavenging ability of ethanolic extracts was higher than those of hot water extracts in the fermented beans of the three strains. The ferrous ion (Fe2+)-chelating abilities of hot water extracts were higher than those of ethanolic extracts in fermented beans by Ph. linteus 03 and 04. In contrast, ethanolic extracts were higher than hot water extracts in fermented beans by Ph. linteus 06. Overall, these results indicate that the fermentation by Ph. linteus strains increased the bioactive compounds and antioxidant activities of four beans.
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Antioxidantes , Basidiomycota , Antioxidantes/química , Fermentación , Basidiomycota/metabolismo , AguaRESUMEN
The hydrogen-based direct reduction of iron ores is a disruptive routine used to mitigate the large amount of CO2 emissions produced by the steel industry. The reduction of iron oxides by H2 involves a variety of physicochemical phenomena from macroscopic to atomistic scales. Particularly at the atomistic scale, the underlying mechanisms of the interaction of hydrogen and iron oxides is not yet fully understood. In this study, density functional theory (DFT) was employed to investigate the adsorption behavior of hydrogen atoms and H2 on different crystal FeO surfaces to gain a fundamental understanding of the associated interfacial adsorption mechanisms. It was found that H2 molecules tend to be physically adsorbed on the top site of Fe atoms, while Fe atoms on the FeO surface act as active sites to catalyze H2 dissociation. The dissociated H atoms were found to prefer to be chemically bonded with surface O atoms. These results provide a new insight into the catalytic effect of the studied FeO surfaces, by showing that both Fe (catalytic site) and O (binding site) atoms contribute to the interaction between H2 and FeO surfaces.
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Recent experiments have revealed multiple borophene phases of distinct lattice structures, suggesting that the unit cells of ν1/6 and ν1/5 boron sheets, namely α and ß chains, serve as building blocks to assemble into novel borophene phases. Motivated by these experiments, we present a theoretical study of electron transport along two-terminal quasiperiodic borophene nanoribbons (BNRs), with the arrangement of the α and ß chains following the generalized Fibonacci sequence. Our results indicate that the energy spectrum of these quasiperiodic BNRs is multifractal and characterized by numerous transmission peaks. In contrast to the Fibonacci model that all the electronic states should be critical, both delocalized and critical states appear in the quasiperiodic BNRs, where the averaged resistance saturates at the inverse of one conductance quantum for the delocalized states in the large length limit and contrarily exhibits a power-law dependence on the nanoribbon length for the critical states. Besides, the self-similarity is observed from the transmission spectrum, where the conductance curves overlap at different energy regions of two quasiperiodic BNRs of different Fibonacci indices and the resistance curves are analogous to each other at different energy scales of a single quasiperiodic BNR. These results complement previous studies on quasiperiodic systems where the multifractal energy spectrum and the self-similarity are observed by generating quasiperiodic potential energies, suggesting that borophene may provide an intriguing platform for understanding the structure-property relationships and exploring the physical properties of quasiperiodic systems.
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Nanotubos de Carbono , Transporte de Electrón , Boro , ElectrónicaRESUMEN
CONTEXT: A steam-rich environment is a more promising application scenario for future coal-fired processes, while active sites are the key factor that determines the reactivity of carbonaceous fuels. The steam gasification process of carbon surfaces with different numbers of active sites (0, 12, 24, 36) was simulated using reactive molecular dynamics in the present study. The temperature for the decomposition of H2O and the gasification of carbon is determined using temperature-increasing simulation. The decomposition of H2O was influenced by two driving forces, thermodynamics and active sites on the carbon surface, which dominated the different reaction stages, leading to the observed segmentation phenomenon of the H2 production rate. The existence and number of initial active sites have a positive correlation with both two stages of the reaction, greatly reducing the activation energy. Residual OH groups play an important role in the gasification of carbon surfaces. The supply of OH groups through the cleavage of OH bonds in H2O is the rate-limiting step in the carbon gasification reaction. The adsorption preference at carbon defect sites was calculated using density functional theory. Two stable configurations (ether & semiquinone groups) can be formed with O atoms adsorbed on the carbon surface according to the number of active sites. This study will provide further insights into the tuning of active sites for advanced carbonaceous fuels or materials. METHODS: The large-scale atomic/molecule massively parallel simulator (LAMMPS) code combined with the reaction force-field method was used to carry out the ReaxFF molecular dynamics simulation, where the ReaxFF potentials were taken from Castro-Marcano, Weismiller and William. The initial configuration was built using Packmol, and the visualization of the calculation results was realized through Visual Molecular Dynamics (VMD). The timestep was set to 0.1 fs to detect the oxidation process with high precision. PWscf code in QUANTUM ESPRESSO (QE) package, was used to evaluate the relative stability of different possible intermediate configurations and the thermodynamic stability of gasification reactions. The projector augmented wave (PAW) and the generalized gradient approximation of Perdew-Burke-Ernzerhof (PBE-GGA) were adopted. Kinetic energy cutoffs of 50 Ry and 600 Ry, and a uniform mesh of 4 × 4 × 1 k-points were used.
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The lignin hydrothermal processing is an important option but a full understanding of the role played by the water molecules in the depolymerization of lignin is still lacking. In order to clarify the role of the water molecules in the depolymerization of lignin, the evolution of chemical bonds, microstructural changes, and possible mechanisms of product generation were compared during the pyrolysis process under vacuum and water conditions using Reactive Molecular Dynamics Simulation. Compared with vacuum conditions, the role of water changes with temperature, identifying three stages: promotion (1200-1800 K)-inhibition (2100-2400 K)-promotion (2700-3000 K). Also compared with vacuum conditions, hydrothermal processing can promote the cleavage of the ether bonds while inhibiting the destruction of carbocycles. Water molecules promote the depolymerization of lignin into more C4-molecules, thereby generating more combustible gas resources. Based on the research results, the pyrolysis conditions of lignin can be flexibly controlled to obtain solids, liquids or gases.
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Simulación de Dinámica Molecular , Pirólisis , Lignina , Agua , GasesRESUMEN
With the aim to find the best simulation routine to accurately predict the ground-state structures and properties of iron oxides (hematite, magnetite, and wustite) using density functional theory (DFT) with Hubbard-U correction, a significant amount of DFT calculations were conducted to investigate the influence of various simulation parameters (energy cutoff, K-point, U value, magnetization setting, smearing value, etc.) and pseudopotentials on the structures and properties of iron oxides. With optimized simulation parameters, the obtained equation of state, lattice constant, bulk moduli, and band gap is much closer to the experimental values compared with previous studies. Due to the strong coupling between the 2p orbital of O and the 3d orbital of Fe, it was found that Hubbard-U correction obviously improved the results for all three kinds of iron oxides including magnetite which has not yet been tested with U correction before, but the U value should be different for different oxides (3 ev, 4 ev, 4 ev for hematite, magnetite, and wustite, respectively). Two kinds of spin magnetism settings for FeO are considered, which should be chosen according to different calculation purposes. The detailed relationship between the parameter settings and the atomic structures and properties were analyzed, and the general principles for future DFT calculation of iron oxides were provided.
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This study aimed 1) to screen a high hispidin production strain from 12 strains of genus Phellinus and 2) to evaluate the effects of liquid inoculum conditions and grain medium on this strain's hispidin production levels after solid-state fermentation. The results showed that Ph. linteus 04 led to the highest hispidin production; this strain was then selected to elucidate the optimal liquid inoculum conditions and grain medium for hispidin production. Various liquid inoculum conditions were evaluated, and the highest hispidin yield, specific productivity of hispidin, and total content of hispidin were found to be optimal at 1 week of liquid inoculum culture time, cultured with potato dextrose broth, and using a 10% inoculum rate, with each condition resulting in 0.350, 0.325, and 0.328 mg/g dry weight of mycelium, 0.352, 0.251, and 0.249 µg/mg of specific productivity per week, and 57.90, 60.23, and 61.77 mg/kg dry weight of brown rice medium, respectively. These liquid inoculum conditions were then used to determine the appropriate grain medium for hispidin production. The highest hispidin yield and total content of hispidin were observed in pearl barley (1.107 mg/g dry weight of mycelium and 199.76 mg/kg dry weight of pearl barley), which led to results that were 4.73-fold and 5.35-fold higher than those of the control (brown rice medium). Overall, this study shows that Ph. linteus hispidin production can be enhanced by solid-state fermentation using optimal liquid inoculum conditions and the appropriate grain medium.
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Basidiomycota , Oryza , Basidiomycota/química , Medios de Cultivo/química , Grano Comestible , Fermentación , Phellinus , Pironas/químicaRESUMEN
Much research has been done on reactions of a single CO2 molecule with a graphene surface. In this paper, density functional theory calculations are used to investigate the adsorption and reaction of double CO2 on the surface of single vacancy (SV) and divacancy (DV) defect graphene. The study found that due to the mutual repulsion between CO2 and the size of the SV defect, it is difficult for two CO2 molecular to be adsorbed directly above the SV defect at the same time. Regardless of SV or DV, the adsorption of the first CO2 in the defect center will have a beneficial effect on the adsorption of the second CO2. In addition, the transition state calculation of the CO2 reaction on the DV plane was carried out, and the adsorption behavior was analyzed and studied. This in-depth study is helpful to the understanding of the reaction behavior of CO2 on graphene, and further exploration in the direction of the effective application of graphene to the reaction and adsorption of CO2. Our work explores the adsorption behavior of CO2 on graphene surfaces, the physical and chemical adsorption of double CO2 at the defect was studied and analyzed.
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Oyster shell waste has led to many problems, including displeasing odors, pollution of the seaside, and harm to the environment. Using calcined oyster shells as a natural preservative might solve the problem of oyster shell waste. We studied the use of calcined oyster shell powder (COSP) as a natural preservative for improving shrimp shelf-life over 12 days under refrigerated conditions. As compared with the control, COSP treatment effectively retarded pH change, reduced the formation of total volatile basic nitrogen, and inhibited bacterial growth during refrigerated storage. In addition, shrimp muscle lipid oxidation measured by peroxide value (PV) and thiobarbituric acid (TBA) was decreased during storage. The quality was preserved up to 12 days with 2.0-4.0% COSP treatment as compared with only 6 days for un-treated shrimp. The development of preservatives for aquatic products is expected to delay growth of and spoilage by microorganisms in the refrigerated state, thus providing more barrier protection for aquatic food safety.
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More attention needs to be drawn to the high application value of the gasification reaction between carbonaceous materials and water in industry. In this study, density functional theory is used to investigate the adsorption and reaction mechanism of water molecules on graphene surfaces with various kinds of defects. The desorption mechanism of the reaction product is also analyzed. The optimal and stable physical adsorption configuration of water molecules on the pristine graphene and various defects graphene surface has been determined. Chemisorption configurations of a single water molecule and double water molecules on the graphene surface with single vacancy defects are discussed and used as reaction precursors to explore the reaction path of water molecules in the process of desorbing hydrogen at active sites. The whole process of the reaction is largely exothermic and the thermodynamic advantages of double water molecules participating in the reaction are determined. The two reaction mechanisms of two-steps or co-adsorption and desorption of double water molecules are compared, and the lowest energy barrier advantage of the latter is determined.
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Palmyra palm syrup, produced from Borassus flabellifer flowers' sap, is rich in nutrients and minerals and has unique flavors. This study evaluated the in vitro antioxidant activity, physicochemical characteristics, and Maillard reaction products of palmyra palm syrup prepared by thermal and ultrafiltration processes. Palmyra palm syrup prepared by a thermal process had smaller L*, b* values, and larger a* values than that prepared by an ultrafiltration process. Palmyra palm syrup contained 10 vitamins, the most abundant being vitamin E. Overall, 38 volatile compounds were found and classified into six groups in the order of alcohols > acids > ketones > sulfurs > pyrazines > phenols and aldehyde. Volatile compounds depended on concentration, temperature, and ultrafiltration process. Protein content decreased because of participation in the Maillard reaction and increased 5-hydroxymethylfurfural (HMF) and total phenolic content. The HMF content was very low (0.02-14.95 mg/100 g). The radical scavenging activity of 2,2-diphenyl-1-1 picrylhydrazyl and 2,2'-azino-bis (3-ethylbenzothiazoline-6-sulphonic acid) in palmyra palm syrup with thermal process was higher than with ultrafiltration. This study established that ultrafiltration pretreatment of palmyra palm syrup generated a good appearance and reduced the HMF content, however, it negatively affected the volatile compounds and physicochemical characteristics.
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BACKGROUND: Infliximab (IFX) and adalimumab (ADA) refer to the classic drugs to treat moderate-severe inflammatory bowel disease (IBD), which have been proven to be effective to control IBD. However, the side effects exerted by IFX and ADA should be monitored in therapies, especially the paradoxical reaction of the skin system (e.g., psoriasis). Psoriasis is recognized as the most common skin lesion, capable of significantly affecting the quality of patients' life. METHODS: This study searched literatures published in English language with the qualifications on PubMed, Embase, Web of Science, Google, and Geenmedical databases. Over 2 co-authors assessed the quality of the articles and extracted the data independently. The data acquired were statistically analyzed with the statistical software of Revman and Stata. RESULTS: The ADA Group achieved a higher incidence of psoriasis (odds ratio [OR]â=â0.658, 95% confidence interval [CI] [0.471-0.919]); Females achieved a higher incidence of psoriasis than males (ORâ=â1.941, 95%CI [1.326-2.843], Pâ<â.05); Smoking up-regulated the incidence of psoriasis (ORâ=â1.679, 95%CI [1.237-2.279], Pâ<â.05); The interval of medication was over 1 year, and the interval of medication applying IFX was longer than that of the ADA Group; most cases could be relieved by using local hormone, phototherapy, or systemic hormone therapy under the strategy of biological agents. CONCLUSIONS: The frequency of reported in IBD exceeds those of other autoimmune diseases, and the ADA treatment for IBD is safer than IFX. Psoriasis is more common in females than in males. Smoking refers to one of risk factors of psoriasis.
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Fármacos Gastrointestinales/uso terapéutico , Enfermedades Inflamatorias del Intestino/tratamiento farmacológico , Enfermedades Inflamatorias del Intestino/epidemiología , Psoriasis/epidemiología , Fumadores/estadística & datos numéricos , Inhibidores del Factor de Necrosis Tumoral/uso terapéutico , Adalimumab/uso terapéutico , Fármacos Gastrointestinales/administración & dosificación , Fármacos Gastrointestinales/efectos adversos , Humanos , Incidencia , Infliximab/uso terapéutico , Psoriasis/tratamiento farmacológico , Factores de Riesgo , Distribución por Sexo , Inhibidores del Factor de Necrosis Tumoral/administración & dosificación , Inhibidores del Factor de Necrosis Tumoral/efectos adversosRESUMEN
OBJECTIVES: Skeletal muscle dysfunction is one of the most common comorbidities in chronic obstructive pulmonary disease (COPD). The occurrence of respiratory failure in COPD is common and leads to the patient's death. The diaphragm is the most important muscle in the respiratory system and plays a key role in the onset of respiratory failure. This study explores the feasibility of ultrasound shear wave elastography (SWE) to measure diaphragmatic stiffness and evaluates its changes in COPD patients. METHODS: In total, 77 participants (43 patients with stable COPD and 34 healthy controls) were enrolled. All subjects underwent complete diaphragmatic ultrasound SWE measurements and pulmonary function tests. The diaphragmatic stiffness was indicated via diaphragmatic shear wave velocity (SWV) at functional residual capacity (FRC). A trained operator performed the ultrasound SWE examinations of the first 15 healthy controls thrice to assess the reliability of diaphragmatic SWE. RESULTS: A good to excellent reliability was found in diaphragmatic SWV at FRC (ICC = 0.93, 95%CI 0.82-0.98). As compared to the control group, the diaphragmatic SWV at FRC was considerably high in the COPD group (median 2.5 m/s versus 2.1 m/s, P = .008). Diaphragmatic SWV at FRC was linked to forced expiratory volume in one second (r = -0.30, P = .009), forced vital capacity (r = -0.33, P = .003), modified Medical Research Council score (r = 0.30, P = .001), and COPD assessment test score (r = 0.48, P < .001). CONCLUSIONS: Ultrasound SWE may be employed as an effective tool for quantitative evaluation of diaphragm stiffness and can help in personalized management of COPD, such as treatment guidance and follow-up monitoring.
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Diagnóstico por Imagen de Elasticidad , Enfermedad Pulmonar Obstructiva Crónica , Diafragma/diagnóstico por imagen , Humanos , Proyectos Piloto , Enfermedad Pulmonar Obstructiva Crónica/complicaciones , Enfermedad Pulmonar Obstructiva Crónica/diagnóstico por imagen , Reproducibilidad de los ResultadosRESUMEN
In this study, the utility of point-of-care lung ultrasound for clinical classification of coronavirus disease (COVID-19) was prospectively assessed. Twenty-seven adult patients with COVID-19 underwent bedside lung ultrasonography (LUS) examinations three times each within the first 2 wk of admission to the isolation ward. We divided the 81 exams into three groups (moderate, severe and critically ill). Lung scores were calculated as the sum of points. A rank sum test and bivariate correlation analysis were carried out to determine the correlation between LUS on admission and clinical classification of COVID-19. There were dramatic differences in LUS (p < 0.001) among the three groups, and LUS scores (râ¯=â¯0.754) correlated positively with clinical severity (p < 0.01). In addition, moderate, severe and critically ill patients were more likely to have low (≤9), medium (9-15) and high scores (≥15), respectively. This study provides stratification criteria of LUS scores to assist in quantitatively evaluating COVID-19 patients.
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COVID-19/diagnóstico por imagen , Pulmón/diagnóstico por imagen , Sistemas de Atención de Punto , Ultrasonografía/instrumentación , Ultrasonografía/métodos , Adulto , Anciano , Anciano de 80 o más Años , Femenino , Humanos , Masculino , Persona de Mediana Edad , Estudios Prospectivos , Índice de Severidad de la EnfermedadRESUMEN
This study aimed to evaluate the effects of certain grain medium conditions, such as carbon and nitrogen source addition, water content, and initial pH, on the hispidin production of Phellinus linteus using solid-state fermentation. The results showed that the highest hispidin yield, specific productivity of hispidin, and total content of hispidin were associated with sucrose and malt extract addition, 55% water content, and an initial pH of 5.5, which resulted in 0.290, 0.233, 0.301, and 0.296 mg/g dry weight of mycelium; 0.261, 0.191, 0.257, and 0.227 µg/mg week-1 specific productivity; and 46.01, 40.67, 58.85, and 55.06 mg/kg dry weight brown rice medium, respectively. Additionally, two combinations of culture conditions with pearl barley and black rice medium were tested for hispidin production. The highest hispidin yield, specific productivity of hispidin, and total hispidin content for pearl barley medium fermented using P. linteus were 3.88-fold, 4.86-fold, and 3.60-fold higher than those for the control (brown rice medium), respectively. Overall, this study shows that P. linteus hispidin production can be enhanced using solid-state fermentation, with optimal medium conditions.
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Carbono/análisis , Medios de Cultivo/química , Fermentación , Nitrógeno/análisis , Phellinus/metabolismo , Pironas/metabolismo , Agua/análisis , Fermentación/efectos de los fármacos , Concentración de Iones de Hidrógeno , Micelio/metabolismo , Oryza/química , Phellinus/efectos de los fármacos , Phellinus/crecimiento & desarrolloRESUMEN
The yield and efficacy of bioactive compounds from Cordyceps militaris fruiting bodies and its fermented grains usually vary with the strain used. In this study, we compared the antiproliferative, apoptotic, and antioxidative properties of ethanolic extracts of fruiting bodies and solid-stated fermented rice (FRE) from two wild-type strains of C. militaris applied to human breast cancer cell lines. We observed that FRE of the Zhangzhou strain (FRE-Z) produced a high level of cordycepin and exhibited comprehensive in vitro antioxidant activity against the oxidation of 2,2-diphenyl-1-picrylhydrazyl, superoxide, and hydroxyl radicals and low-density lipoprotein. Only FRE-Z exhibited dose-dependent inhibition of cell proliferation in MCF-7 (0.7 mg/mL) and MDA-MB-231 cells (1 mg/mL) after culturing for 24 h. The antiproliferative effects of FRE-Z were associated with an early stage of apoptosis induction at 4 h of treatment with 0.5 mg/mL FRE-Z in MCF-7 cells. The antiproliferative effect was determined to occur through p53 activation but not through the release of mitochondrial apoptosis-inducing factor or caspase-9 activation for an initial culture period of 16 h. In addition to a transient increase in cellular antioxidant enzyme, Cu/Zn superoxide dismutase was identified in MCF-7 cells after 2 h of treatment with FRE-Z. Therefore, FRE-Z, which exhibits various dose- and exposure time-dependent activities, has potential application in breast cancer chemoprevention.
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Proliferación Celular/efectos de los fármacos , Mezclas Complejas/farmacología , Cordyceps/química , Cuerpos Fructíferos de los Hongos/química , Micelio/química , Apoptosis/efectos de los fármacos , Neoplasias de la Mama/tratamiento farmacológico , Mezclas Complejas/química , Etanol , Femenino , Fermentación , Humanos , Radical Hidroxilo/metabolismo , Células MCF-7 , Oryza , Superóxido Dismutasa/metabolismoRESUMEN
BACKGROUND: As the most frequently occurred tumor in biliary tract, cholangiocarcinoma (CCA) is mainly characterized by its late diagnosis and poor outcome. It is therefore urgent to identify specific genes and pathways associated with its progression and prognosis. MATERIALS AND METHODS: The differentially expressed genes in The Cancer Genome Atlas were analyzed to build the co-expression network by Weighted gene co-expression network analysis (WGCNA). Gene ontology (GO) as well as Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis were conducted for the selected genes. Module-clinical trait relationships were analyzed to explore the association with clinicopathological parameters. Log-rank tests and cox regression were used to identify the prognosis-related genes. RESULTS: The most related modules with CCA development were tan module containing 181 genes and salmon module with 148 genes. GO analysis suggested enrichment terms of digestion, hormone transport and secretion, epithelial cell proliferation, signal release, fibroblast activation, response to acid chemical, wnt, Nicotinamide adenine dinucleotide phosphate metabolism. KEGG analysis demonstrated 15 significantly altered pathways including glutathione metabolism, wnt, central carbon metabolism, mTOR, pancreatic secretion, protein digestion, axon guidance, retinol metabolism, insulin secretion, salivary secretion, fat digestion. Key genes of SOX2, KIT, PRSS56, WNT9A, SLC4A4, PRRG4, PANX2, PIR, RASSF8, MFSD4A, INS, RNF39, IL1R2, CST1, and PPP3CA might be potential prognostic markers for CCA, of which RNF39 and PRSS56 also showed significant correlation with clinical stage. DISCUSSION: Differentially expressed genes and key modules contributing to CCA development were identified by WGCNA. Our results offer novel insights into the characteristics in the etiology, prognosis, and treatment of CCA.