Crossing the Border: From Keto- to Imine Reduction in Short-Chain Dehydrogenases/Reductases

The family of NAD(P)H-dependent short-chain dehydrogenases/reductases (SDRs) comprises numerous biocatalysts capable of C=O or C=C reduction. The highly homologous noroxomaritidine reductase (NR) from Narcissus sp. aff. pseudonarcissus and Zt_SDR from Zephyranthes treatiae, however, are SDRs with an extended imine substrate scope. Comparison with a similar SDR from Asparagus officinalis (Ao_SDR) exhibiting keto-reducing activity, yet negligible imine-reducing capability, and mining the Short-Chain Dehydrogenase/Reductase Engineering Database indicated that NR and Zt_SDR possess a unique active-site composition among SDRs. Adapting the active site of Ao_SDR accordingly improved its imine-reducing capability. By applying the same strategy, an unrelated SDR from Methylobacterium sp. 77 (M77_SDR) with distinct keto-reducing activity was engineered into a promiscuous enzyme with imine-reducing activity, thereby confirming that the ability to reduce imines can be rationally introduced into members of the “classical” SDR enzyme family. Thus, members of the SDR family could be a promising starting point for protein approaches to generate new imine-reducing enzymes.     

A new decomposition based evolutionary algorithm with uniform designs for many-objective optimization

For many-objective optimization problems, how to get a set of solutions with good convergence and diversity is a difficult and challenging work. In this paper, a new decomposition based evolutionary algorithm with uniform designs is proposed to achieve the goal. The proposed algorithm adopts the uniform design method to set the weight vectors which are uniformly distributed over the design space, and the size of the weight vectors neither increases nonlinearly with the number of objectives nor considers a formulaic setting. A crossover operator based on the uniform design method is constructed to enhance the search capacity of the proposed algorithm. Moreover, in order to improve the convergence performance of the algorithm, a sub-population strategy is used to optimize each sub-problem. Comparing with some efficient state-of-the-art algorithms, e.g., NSGAII-CE, MOEA/D and HypE, on six benchmark functions, the proposed algorithm is able to find a set of solutions with better diversity and convergence.     

A bat-neural network multi-agent system (BNNMAS) for stock price prediction: Case study of DAX stock price

Creating an intelligent system that can accurately predict stock price in a robust way has always been a subject of great interest for many investors and financial analysts. Predicting future trends of financial markets is more remarkable these days especially after the recent global financial crisis. So traders who access to a powerful engine for extracting helpful information throw raw data can meet the success. In this paper we propose a new intelligent model in a multi-agent framework called bat-neural network multi-agent system (BNNMAS) to predict stock price. The model performs in a four layer multi-agent framework to predict eight years of DAX stock price in quarterly periods. The capability of BNNMAS is evaluated by applying both on fundamental and technical DAX stock price data and comparing the outcomes with the results of other methods such as genetic algorithm neural network (GANN) and some standard models like generalized regression neural network (GRNN), etc. The model tested for predicting DAX stock price a period of time that global financial crisis was faced to economics. The results show that BNNMAS significantly performs accurate and reliable, so it can be considered as a suitable tool for predicting stock price specially in a long term periods.     

Disease Ionomics: Understanding the Role of Ions in Complex Disease

Ionomics is a novel multidisciplinary field that uses advanced techniques to investigate the composition and distribution of all minerals and trace elements in a living organism and their variations under diverse physiological and pathological conditions. It involves both high-throughput elemental profiling technologies and bioinformatic methods, providing opportunities to study the molecular mechanism underlying the metabolism, homeostasis, and cross-talk of these elements. While much effort has been made in exploring the ionomic traits relating to plant physiology and nutrition, the use of ionomics in the research of serious diseases is still in progress. In recent years, a number of ionomic studies have been carried out for a variety of complex diseases, which offer theoretical and practical insights into the etiology, early diagnosis, prognosis, and therapy of them. This review aims to give an overview of recent applications of ionomics in the study of complex diseases and discuss the latest advances and future trends in this area. Overall, disease ionomics may provide substantial information for systematic understanding of the properties of the elements and the dynamic network of elements involved in the onset and development of diseases.     

Study of metal assisted anisotropic chemical etching of silicon for high aspect ratio in crystalline silicon solar cells

Textured surface is commonly used to enhance the efficiency of silicon solar cells by reducing the overall reflectance and improving the light scattering. In this study, a comparison between isotropic and anisotropic etching methods was investigated. The deep funnel shaped structures with high aspect ratio are proposed for better light trapping with low reflectance in crystalline silicon solar cells. The anisotropic metal assisted chemical etching (MACE) was used to form the funnel shaped structures with various aspect ratios. The funnel shaped structures showed an average reflectance of 14.75% while it was 15.77% for the pillar shaped structures. The average reflectance was further reduced to 9.49% using deep funnel shaped structures with an aspect ratio of 1:1.18. The deep funnel shaped structures with high aspect ratios can be employed for high performance of crystalline silicon solar cells.     

A conceptualization of intended learning outcomes supporting self‐regulated learners in indicating learning paths

Intended learning outcomes (ILOs) indicate what learners will be able to achieve after they are taught. Traditionally, ILOs are expressed as plain text or unstructured documents. What if all ILOs of a specific course of study can be conceptualized through a structured diagrammatic technique? It was hypothesized that learners can benefit from this conceptualization in learning, especially in self‐regulated learning. The aim of this study was to investigate whether the ILOs represented in unstructured or structured formats can facilitate learners to identify learning paths. The results revealed that the mean ratings of all learning paths were statistically significantly higher with structured ILOs.     

Optimal resilient power grid operation during the course of a progressing wildfire

We study a two-stage stochastic and nonlinear optimization model for operating a power grid exposed to a natural disaster. Although this approach can be generalized to any natural hazard of continuous (and not instantaneous) nature, our focus is on wildfires. We assume that an approaching wildfire impacts the power grid by reducing the transmission capacity of its overhead lines. At the time when proactive decisions have to be taken, the severity of the wildfire is not known. This introduces uncertainty. In this paper, we extend previous work by more realistically capturing this uncertainty and by strengthening the mathematical programming formulation through standard reformulation techniques. With these reformulation techniques, the resulting two-stage, convex mixed-integer quadratically constrained programming formulation can be efficiently solved using commercial quadratic programming solvers as demonstrated on a case study on a modified version of the IEEE 123-bus test system with 100 scenarios. We also quantify the uncertainties through a second case study using the following three standard metrics of two-stage stochastic optimization: the expected value of perfect information, the expected result of using the expected value solution and the value of the stochastic solution.     

Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

A new design strategy for DC/DC LLC resonant converter: Concept,modeling, and fabrication

In this paper, a new design procedure for LLC converter has been introduced. In fact, this method is a computer-based design algorithm based on a numerical technique. In the process of designing, the value of the resonant element is obtained by solving the LLC converter fundamental equation. This converter will be controlled by using state feedback, such as output voltage variable. As a matter of fact, in a control system, the change of output voltage (because of load variation) will affect the switching frequency, so the output voltage will be tuned. In the designing process, the fundamental equations of LLC converter are obtained, and the value of the resonant elements is calculated. Also, a comparison analysis is carried out between the proposed and typical methods. The simulation is done to investigate the validity of the proposed method. Moreover, a prototype is manufactured, and the experimental test is done to evaluate its applicability.     

Optical properties and conductivity of PEDOT:PSS films treated by polyethylenimine solution for organic solar cells

We report on conductivity and optical property of three different types of poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) films [pristine PH1000 film (PH1000-p), with 5 wt.% ethylene glycol additive (PH1000-EG) and with sulfuric acid post-treatment (PH1000-SA)] before and after polyethylenimine (PEI) treatment. The PEI is found to decrease the conductivity of all the PEDOT:PSS films. The processing solvent of 2-methoxyethanol is found to significantly enhance the conductivity of PH1000-p from 1.1 up to 744 S/cm while the processing solvent of isopropanol or water does not change the conductivity of PH1000-p much. As for the optical properties, the PEI treatment slightly changes the transmittance and reflectance of PH1000-p and PH1000-EG films, while the PEI leads to an substantial increase of the absorptance in the spectral region of 400–1100 nm of the PH1000-SA films. Though the optical property and conductivity of the three different types of PEDOT:PSS films vary with the PEI treatment, the treated PEDOT:PSS films exhibit similar low work function. We demonstrate solar cells with a simple device structure of glass/low-WF PEDOT:PSS/P3HT:ICBA/high-WF PEDOT:PSS cells that exhibit good performance with open-circuit voltage of 0.82 V and fill factor up to 0.62 under 100 mW/cm² white light illumination.