Robust optimal control for a batch nonlinear enzyme-catalytic switched time-delayed process with noisy output measurements

In this paper, we consider a nonlinear switched time-delayed (NSTD) system with an unknown time-varying function describing the batch culture. The output measurements are noisy. According to the actual fermentation process, this time-varying function appears in the form of a piecewise-linear function with unknown kinetic parameters and switching times. The quantitative definition of biological robustness is given to overcome the difficulty of accurately measuring intracellular material concentrations. Our main goal is to estimate these unknown quantities by using noisy output measurements and biological robustness. This estimation problem is formulated as a robust optimal control problem (ROCP) governed by the NSTD system subject to continuous state inequality constraints. The ROCP is approximated as a sequence of nonlinear programming subproblems by using some techniques. Due to the highly complex nature of these subproblems, we propose a hybrid parallel algorithm, based on Nelder–Mead method, simulated annealing and the gradients of the constraint functions, for solving these subproblems. The paper concludes with simulation results.     

避免$2$字母符号模式的具有偶数个符号的带符号排列

Let Dn be the set of all signed permutations on [n] = {1,... ,n} with even signs, and let ：Dn（T） be the set of all signed permutations in Dn which avoids a set T of signed patterns. In this paper, we find all the cardinalities of the sets Dn（T） where T B2. Some of the cardinalities encountered involve inverse binomial coefficients, binomial coefficients, Catalan numbers, and Fibonacci numbers.     

Environmental remediation by an integrated microwave/UV illumination technique: IX. Peculiar hydrolytic and co-catalytic effects of platinum on the TiO2 photocatalyzed degradation of the 4-chlorophenol toxin in a microwave radiation field

The photocatalyzed degradation of the 4-chlorophenol toxin (4-CP) in aqueous naked TiO₂ and platinized TiO₂ suspensions simultaneously subjected to UV light and microwave radiation was revisited to examine the fate of this toxin in the microwave-assisted photocatalytic process by monitoring loss of total organic carbon (TOC; mineralization), formation of chloride ions (dechlorination of 4-CP), and identification of intermediates using HPLC and electrospray mass spectral (LC–MSD) techniques. Attempts are made to delineate microwave thermal and nonthermal factors that impinge on the degradation by comparing experimental results from microwave-generated heat versus results from a conventional (externally heated) thermally-assisted process, and from results in which the thermal factors were minimized by examining the degradative process at constant ambient temperature (25 °C). Possible microwave radiation effects on the Pt co-catalyst supported on TiO₂ were also probed through comparison of the degradation of 4-CP occurring on Pt/TiO₂ and on naked TiO₂ photocatalysts. Results suggest that, in a microwave radiation field, naked TiO₂ and Pt/TiO₂ particle surfaces interact with the microwaves. The degradation pathway exhibited characteristics of hydrolysis of reactants and intermediates. Nonthermal microwave effects play a role in the overall degradative process occurring in platinized TiO₂ dispersions. The possible nature of these unusual microwave effects is briefly discussed.     

Controllable synthesis and luminescent properties of three-dimensional nanostructured CaWO4:Tb3+ microspheres

Three-dimensional (3D) nanostructured CaWO(4):Tb(3+)microspheres assembled by submicrospindles were synthesized via a mild sonochemical route from an aqueous solution of CaCl(2), TbCl(3) and Na(2)WO(4) with the aid of surfactant Polyglycol 600 (PEG-600). The crystal structure and morphology of the as-prepared products were characterized by using X-ray diffraction (XRD) and field emission scanning electron microscopy (FE-SEM). Rietveld refinement was carried out on the XRD data. The results showed that the CaWO(4):Tb(3+)nanoparticles can be formed without ultrasonic irradiation or addition of PEG-600. With continuously increasing irradiation time the submicrospindles and microspheres could be self-assembled. The central diameter and length of the submicrospindles are around 190 and 500 nm, respectively. The 3D CaWO(4):Tb(3+)nanostructured microspheres with diameter of 2-4 μm were assembled by the submicrospindles. A possible formation mechanism for the 3D-structured CaWO(4):Tb(3+)microspheres was proposed. The Photoluminescent (PL) properties of Tb(3+) ions in the nanostructured CaWO(4) microspheres were studied. The energy transfer processes in CaWO(4):Tb(3+)microspheres were analyzed. The electric dipole-dipole energy transfers related to (5)D(3) level were studied by inspecting the fluorescence decay of (5)D(3) level. The energy transfer critical distance was estimated.     

Removal of SO2 from Gas Streams by Oxidation using Plasma-Generated Hydroxyl Radicals

The key problem for the removal of SO₂ by electrical discharge methods is how to obtain the hydroxyl radicals at high concentration and large production rates. With the micro-gap discharge method, O₂ and H₂O in simulated gas streams (N₂/O₂/H₂O/SO₂) are ionized into a large number of OH^. radicals to oxidize SO₂ into SO₃ which reacts with H₂O forming H₂SO₄ droplets at 120 °C in the absence of any catalyst or absorbent. The droplets are captured with an electrostatic precipitator. As a result, conversion of SO₂ to primarily H₂SO₄ is limited by the generation of OH^. radicals. By increasing the reduced field and concentrations of O₂ and H₂O, the amount of OH^. radicals increase resulting in more removal of SO₂ from gas streams. The removal efficiency of SO₂ reaches 100% when the residence time is only 0.74 s. Therefore, a new gas-phase oxidation method for removal of SO₂ without NH₃ additive is found.     

二氧化碳电催化还原中的电解质效应（英文）

二氧化碳(CO₂)电催化还原反应利用可再生能源将CO₂转化为高值燃料和化学品,是一种新型的碳中和技术。CO₂电催化还原反应在电极/电解质界面上进行,因此除催化剂以外,电解质对提高CO₂电催化还原反应性能同样至关重要。本文深度剖析了CO₂电催化还原反应中的电解质效应,结合近几年的最新研究进展,详细讨论了局部p H、阳离子、阴离子和离子交换膜等电解质组成和性质对电催化活性和产物选择性的影响,阐述了电解质效应的催化作用机制。本文特别强调了电化学原位红外/拉曼等振动光谱在电解质效应机理研究方面的优势以及面向实际应用的膜电极CO₂电解器中阴离子、阳离子、水、液体产物等物质传输对活性、选择性、能量效率及CO₂利用效率等关键催化性能指标的影响。本文最后提出了当前电解质效应研究中存在的挑战,并展望了未来的研究机遇和发展趋势。     

Integration of high-thermal-responsive color change and invisible emission intensity ratio in Gd2Mo4O15 lattice with the desired structure

Thermal-responsive upconversion luminescence (UCL) is of interest due to its potential application in anti-counterfeiting and temperature sensing. However, integrating the multi-model emission intensity ratios with high-thermal sensitivity, especially those involving invisible UCL, into a single host lattice remains challenging. In this work, the color change of blue to bluish-purple and invisible emission intensity ratio with a temperature sensitivity as high as 13.47% K^?1, thanks to the crossover-reduced thermal quenching and the Yb³⁺-MoO₄^2- dimer sensitization, are available in the monoclinic Gd₂Mo₄O₁₅:Yb³⁺/Tm³⁺. Moreover, the temperature-dependent color response is tunable, such as the introduction of Er³⁺ results in a color change from blue to bluish-green. Our results allow promising temperature-dependent UCL applications and open the opportunity for other functional materials based on Re₂Mo₄O₁₅ with desirable phase structures.     

Optical transition properties of Eu in Eu(DBM)3phen mono-dispersed microspheres for microcavity laser application

Mono-dispersed microspheres of ternary complex Eu(DBM)₃phen (DBM=dibenzoylmethide; phen=1,10-phenanthroline) were prepared through a facile process. The obtained sample was characterized by means of X-ray powder diffraction (XRD) and scanning electron microscope (SEM). And the luminescence properties of the Eu(DBM)₃phen were investigated by the fluorescence spectra and the fluorescence decay. According to Judd-Ofelt theory, the optical transition intensity parameters Ω_λ (λ=2, 4 and 6) were obtained to be 20.99×10⁻²⁰, 0.98×10⁻²⁰ and 1.79×10⁻²⁰ cm², respectively. The radiative transition properties of ⁵D₀ level, including transition rates, branch ratios and radiative transition lifetime were calculated. As a potential material for microsphere lasers, the optical gain performance for ⁵D₀→⁷F₂ transition was also evaluated.     

Stereoselective inclusion mechanism of ketoprofen into β-cyclodextrin: insights from molecular dynamics simulations and free energy calculations

The host–guest inclusion mechanism formed between β-cyclodextrin and those poorly water-soluble drug molecules has important applications in supramolecular chemistry, biology and pharmacy. In this work, the chiral recognition ability of β-cyclodextrin to one of nonsteroidal anti-inflammatory drugs, ketoprofen, has been systematically investigated using molecular dynamics and free energy simulation methods. The R- and S-enantiomers of ketoprofen were explicitly bound within the cyclodextrin cavity in our simulations, respectively. In consistent with experimental observations, tiny structural difference between two isomers could be observed. Calculated absolute binding free energies using adapted biasing force (ABF) method and MM/GBSA approach for both isomers are comparable to experimental values. Significant binding fluctuations along the MD trajectory have been observed. The free energy profiles calculated using two different approaches reveal that the ketoprofen prefers binding in the cavity with the carboxylate group facing the wider edge of β-cyclodextrin. Similar free energy profiles for two enantiomers obtained using ABF calculations indicate that it is very hard to separate and identify the chiral conjugates within the framework of the natural β-cyclodextrin.     

Stereo‐dynamics of the F + HCl → HF + Cl reaction

We present a quasi‐classical trajectory (QCT) study on product polarization for the reaction F(²P) + HCl(v = 0, j = 0) → HF + Cl(²P) on a recently computed 1² A′ ground‐state surface reported by Deskevich et al. J Chem Phys, 2006, 124, 224303. Four polarization dependent generalized differential cross‐sections (2π/σ)(dσ₀₀/dω_t), (2π/σ)(dσ₂₀/dω_t), (2π/σ)(dσ₂₂₊/dω_t), and (2π/σ)(dσ_21?/dω_t) were calculated in the center‐of‐mass frame at four different collision energies. The obtained P(θ_r), P(?_r), and P(θ_r, ?_r), which denote respectively the distribution of angles between k and j′, the distribution of dihedral angle denoting k‐k′‐j′ correlation and the angular distribution of product rotational vectors in the form of polar plots, indicate that the degree of rotational alignment of the product HF molecule is strong and the degree of the rotational alignment decreases as collision energy increases. The product rotational angular momentum vector j′ is not only aligned, but also oriented along the y‐axis, and the molecular rotation of the product prefers an in‐plane reaction mechanism rather than the out‐of‐plane mechanism. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011