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1.
Bioresour Technol ; 394: 130295, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38184085

RESUMEN

This study explored bagasse's energy potential grown using treated industrial wastewater through various analyses, experimental, kinetic, thermodynamic, and machine learning boosted regression tree methods. Thermogravimetry was employed to determine thermal degradation characteristics, varying the heating rate from 10 to 30 °C/min. The primary pyrolysis products from bagasse are H2, CH4, H2O, CO2, and hydrocarbons. Kinetic parameters were estimated using three model-free methods, yielding activation energies of approximately 245.98 kJ mol-1, 247.58 kJ mol-1, and 244.69 kJ mol-1. Thermodynamic parameters demonstrated the feasibility and reactivity of pyrolysis with ΔH ≈ 240.72 kJ mol-1, ΔG ≈ 162.87 kJ mol-1, and ΔS ≈ 165.35 J mol-1 K-1. The distribution of activation energy was analyzed using the multiple distributed activation energy model. Lastly, boosted regression trees predicted thermal degradation successfully, with an R2 of 0.9943. Therefore, bagasse's potential as an eco-friendly alternative to fossil fuels promotes waste utilization and carbon footprint reduction.


Asunto(s)
Celulosa , Pirólisis , Termodinámica , Cinética , Termogravimetría
2.
Chemosphere ; 303(Pt 2): 135008, 2022 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-35643167

RESUMEN

The presence of emerging contaminants in water and wastewater resources is of ongoing concern for public health and safety. Pharmaceutical compounds are designed to be biologically active and therefore may have effects on nontarget organisms in terrestrial and aquatic environments, even at trace concentrations. The presence of pharmaceutical and personal care products (PPCPs) in wastewater treatment plants is reported in various countries worldwide, mostly in the levels of nanograms to micrograms per litre. The present study investigates the thermal degradation of municipal sewage sludge containing PPCPs at various heating rates. The examined characteristics of the samples include thermal decomposition behavior, volatile release characteristics, and pyrolytic product composition. Thermal characterization of the PPCPs was conducted using differential scanning calorimetry. The gaseous products and typical functional groups of the released volatiles detected by Fourier-transform infrared spectroscopy mainly contained CO2, CO, small-chain hydrocarbons, and oxygen- and nitrogen-containing functional groups together with other species. In addition, the potential of bioenergy production was investigated as a spin-off opportunity during thermal degradation of biosolids. Study results showed that PPCP concentrations can be lowered significantly by thermal treatment of municipal biosolids. Antifungal/antibacterial agents together with opioids, in particular triclosan and tramadol, showed less resistance to thermal degradation while antibiotics could be more recalcitrant to heat treatment. The thermodynamic results provide an important reference for future reactor design and the thermochemical treatment of biosolids as well as their conversion to value-added products.


Asunto(s)
Cosméticos , Contaminantes Químicos del Agua , Biosólidos , Cosméticos/análisis , Monitoreo del Ambiente/métodos , Preparaciones Farmacéuticas , Aguas del Alcantarillado/análisis , Aguas Residuales , Contaminantes Químicos del Agua/análisis
3.
ACS Appl Mater Interfaces ; 14(19): 22082-22094, 2022 May 18.
Artículo en Inglés | MEDLINE | ID: mdl-35522907

RESUMEN

Reverse microemulsion method was implemented to synthesize a CuO/γ-Al2O3 catalyst (18 wt % Cu) with a specific surface area (SSA) of 328 m2/g (after calcination at 400 °C). Catalytic performance was evaluated in the range of temperatures and space velocities (300-600 °C and 10,000-200,000 mL/(g h)). The catalyst was 100% selective to CO generation while attaining a nearly equilibrium CO2 conversion at 500 °C (ca. 50% at 10,000 mL/(g h) and H2/CO2 = 4). Despite the initial reduction of surface area under the reaction conditions, the reduced Cu/γ-Al2O3 catalyst demonstrated a stable performance for 80 h on stream, attaining a nearly equilibrium CO2 conversion at 600 °C (ca. 60% at 60,000 mL/(g h) and H2/CO2 = 4). The selectivity to CO generation remained complete during the stability test, and no significant carbon deposition was detected.

4.
J Phys Chem A ; 123(38): 8083-8088, 2019 Sep 26.
Artículo en Inglés | MEDLINE | ID: mdl-31441660

RESUMEN

Nonisothermal chemical oscillators are poorly studied systems because chemical oscillations are conventionally studied under isothermal conditions. Coupling chemical reactions with heat generation and removal in a nonisothermal oscillatory system can lead to a highly nontrivial nonlinear dynamic behavior. For the current study, we considered the three-variable Oregonator model with the temperature incorporated as a variable (not a parameter), thus adding an energy balance to the set of equations. The effect of temperature on reaction rates is included through the temperature-dependent reaction rate coefficients (Arrhenius law). To model a continuous operation in a laboratory environment, the system was subjected to external forcing through the coolant temperature and infrared irradiation. By conducting numerical simulations and parametric studies, we found that the system is capable of a resonant behavior exhibiting induced oscillations. Our findings indicate that an external source of heat (e.g., via an infrared light emitting diode) can be used to induce a Hopf bifurcation under resonant conditions in an experimental Belousov-Zhabotinsky reactor.

5.
ACS Appl Mater Interfaces ; 11(6): 6166-6173, 2019 Feb 13.
Artículo en Inglés | MEDLINE | ID: mdl-30648868

RESUMEN

Methane is a potent greenhouse gas, with large emissions occurring across gas distribution networks and mining/extraction infrastructure. The development of inexpensive, low-power electrochemical sensors could provide a cost-effective means to carry out distributed sensing to identify leaks for rapid mitigation. In this work, we demonstrate a simple and cost-effective strategy to rapidly prototype ultrasensitive electrochemical gas sensors. A room-temperature methane sensor is evaluated which demonstrates the highest reported sensitivity (0.55 µA/ppm/cm2) with a rapid response time (40 s) enabling sub-ppm detection. Porous, laser-induced graphene (LIG) electrodes are patterned directly into commercial polymer films and imbibed with a palladium nanoparticle dispersion to distribute the electrocatalyst within the high surface area support. A pseudo-solid-state ionic liquid/polyvinylidene fluoride electrolyte was painted onto the flexible cell yielding a porous electrolyte, within the porous LIG electrode, simultaneously facilitating rapid gas transport and enabling the room temperature electro-oxidation pathway for methane. The performance of the amperometric sensor is evaluated as a function of methane concentration, relative humidity, and tested against interfering gases.

6.
J Phys Chem A ; 117(51): 13999-4005, 2013 Dec 27.
Artículo en Inglés | MEDLINE | ID: mdl-24274189

RESUMEN

We report on the experimental study of noise-induced oscillations in the photosensitive Ru(bpy)3(2+)-catalyzed Belousov-Zhabotinsky reaction in a continuous stirred tank reactor (CSTR). In the absence of deterministic oscillations and any external periodic forcing, oscillations appear when the system is perturbed by stochastic fluctuations in light irradiation with sufficiently high amplitude in the vicinity of the bifurcation point. The frequency distribution of the noise-induced oscillations is strongly affected by noise correlation. There is a shift of the noise-induced oscillation frequency toward higher frequencies for an intermediate range of the noise correlation exponent, indicating the occurrence of coherence resonance. Our findings indicate that, in principle, noise correlation can be used to direct chemical reactions toward certain behavior.

7.
Proc Natl Acad Sci U S A ; 110(44): 17939-44, 2013 Oct 29.
Artículo en Inglés | MEDLINE | ID: mdl-24127599

RESUMEN

Although it is widely appreciated that a typical developmental control gene is regulated by multiple enhancers, coordination of enhancer activities remains poorly understood. We propose a mechanism for such coordination in Drosophila oogenesis, when the expression of the transcription factor Broad (BR) evolves from a uniform to a two-domain pattern that prefigures the formation of two respiratory eggshell appendages. This change reflects sequential activities of two enhancers of the br gene, early and late, both of which are controlled by the epidermal growth factor receptor (EGFR) pathway. The late enhancer controls br in the appendage-producing cells, but the function of the early enhancer remained unclear. We found that the early enhancer is essential for the activity of the late enhancer and induction of eggshell appendages. This requirement can be explained by a mechanism whereby the BR protein produced by the early enhancer protects the late enhancer from EGFR-dependent repression. We illustrate this complex mechanism using a computational model that correctly predicts the wild-type dynamics of BR expression and its response to genetic perturbations.


Asunto(s)
Proteínas de Drosophila/metabolismo , Drosophila/fisiología , Elementos de Facilitación Genéticos/genética , Receptores ErbB/metabolismo , Modelos Biológicos , Oogénesis/fisiología , Transducción de Señal/fisiología , Factores de Transcripción/metabolismo , Animales , Biología Computacional , Receptores ErbB/genética , Retroalimentación Fisiológica , Transducción de Señal/genética
8.
Sci Rep ; 3: 2404, 2013.
Artículo en Inglés | MEDLINE | ID: mdl-23929212

RESUMEN

Oscillating chemical reactions are common in biological systems and they also occur in artificial non-biological systems. Generally, these reactions are subject to random fluctuations in environmental conditions which translate into fluctuations in the values of physical variables, for example, temperature. We formulate a mathematical model for a nonisothermal minimal chemical oscillator containing a single negative feedback loop and study numerically the effects of stochastic fluctuations in temperature in the absence of any deterministic limit cycle or periodic forcing. We show that noise in temperature can induce sustained limit cycle oscillations with a relatively narrow frequency distribution and some characteristic frequency. These properties differ significantly depending on the noise correlation. Here, we have explored white and colored (correlated) noise. A plot of the characteristic frequency of the noise induced oscillations as a function of the correlation exponent shows a maximum, therefore indicating the existence of autonomous stochastic resonance, i.e. coherence resonance.


Asunto(s)
Algoritmos , Modelos Químicos , Modelos Estadísticos , Oscilometría/métodos , Simulación por Computador
9.
Phys Biol ; 10(4): 046001, 2013 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-23735823

RESUMEN

We model the formation of periodic patterns of gene expression in epithelial cell sheets driven by autocrine signaling coupled to juxtacrine lateral inhibition. The mathematical model is based on a continuous description of the extracellular matrix and a discrete cell-level description of the layer of cells, coupling the dynamics of diffusible ligands to the threshold-controlled cell-autonomous regulation with randomly fluctuating production rates. The results of numerical simulations indicate that propagating signaling waves emerge in a certain parametric domain, leading to the formation of a variety of either periodic or irregular patterns. For some selections of parameters, a propagating stripe of uniform expression leaves in its wake stationary periodic arrays. Coupling of autocrine and juxtacrine cell communication is essential for the pattern regularity and for the selection of expression patterns. Moreover, weak but non-vanishing noise levels are essential for the formation of regular patterns. Additional autocrine and cell-autonomous regulatory interactions can be introduced to increase the spacing of a periodic pattern.


Asunto(s)
Comunicación Autocrina/fisiología , Biofisica/métodos , Regulación de la Expresión Génica/fisiología , Modelos Biológicos , Receptores de Superficie Celular/fisiología , Animales , Comunicación Autocrina/genética , Tipificación del Cuerpo/genética , Tipificación del Cuerpo/fisiología , Células Epiteliales/fisiología , Matriz Extracelular/fisiología , Cinética , Ligandos , Conceptos Matemáticos , Receptores de Superficie Celular/genética
10.
Development ; 139(15): 2814-20, 2012 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-22782725

RESUMEN

Similar to other organisms, Drosophila uses its Epidermal Growth Factor Receptor (EGFR) multiple times throughout development. One crucial EGFR-dependent event is patterning of the follicular epithelium during oogenesis. In addition to providing inductive cues necessary for body axes specification, patterning of the follicle cells initiates the formation of two respiratory eggshell appendages. Each appendage is derived from a primordium comprising a patch of cells expressing broad (br) and an adjacent stripe of cells expressing rhomboid (rho). Several mechanisms of eggshell patterning have been proposed in the past, but none of them can explain the highly coordinated expression of br and rho. To address some of the outstanding issues in this system, we synthesized the existing information into a revised mathematical model of follicle cell patterning. Based on the computational model analysis, we propose that dorsal appendage primordia are established by sequential action of feed-forward loops and juxtacrine signals activated by the gradient of EGFR signaling. The model describes pattern formation in a large number of mutants and points to several unanswered questions related to the dynamic interaction of the EGFR and Notch pathways.


Asunto(s)
Proteínas de Drosophila/metabolismo , Drosophila melanogaster/metabolismo , Proteínas del Huevo/metabolismo , Receptores ErbB/metabolismo , Proteínas de la Membrana/metabolismo , Factores de Transcripción/metabolismo , Animales , Tipificación del Cuerpo , Modelos Biológicos , Modelos Genéticos , Modelos Teóricos , Mutación , Receptores Notch/metabolismo , Transducción de Señal
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