Analysis of glutamines in catalysis in Cephalosporium acremonium isopenicillin N synthase by site-directed mutagenesis

Isopenicillin N synthase (IPNS), an important enzyme in the beta-lactam antibiotic biosynthetic pathway, is responsible for the catalytic conversion of delta-(L-alpha-aminoadipyl)-L-cysteinyl-D-valine to isopenicillin N. Three catalytic ligands essential for IPNS activity have already been determined. Based on an Aspergillus nidulans IPNS crystal structure, the probable involvement of a fourth amino acid as a catalytic ligand was previously revealed. To continue the search for the fourth catalytic ligand, we report investigations on whether or not glutamines play a role in the catalytic action of Cephalosporium acremonium IPNS (cIPNS). Three glutamine residues were targeted for modification based on the previous revelation of one (Q337) via crystal structure coordinates, the conservation of one (Q234) in isozyme alignment and the proximity of one (Q227) to the catalytic centre. Analysis of the biotransformed mutant enzymes showed retention of activity, thereby rejecting the involvement of a possible glutamine as a catalytic ligand in cIPNS catalysis.     

Teaching–learning-based metaheuristic scheme for modifying neural computing in appraising energy performance of building

Early assessment of the energy performance of buildings (EPB) is focused in this study. This task is carried out by predicting the cooling load (CL) in a residential building. To this end, due to the drawbacks of neural computing approaches (e.g., local minima), a novel metaheuristic technique, namely teaching–learning-based optimization (TLBO) is employed to modify a multi-layer perceptron neural network (MLPNN). The complexity of the proposed model is also optimized by a trial and error process. Evaluating the results revealed a high efficiency for this scheme. In this sense, the prediction error of the MLPNN was reduced by around 20%, and the correlation between the measured and forecasted CLs rose from 0.8875 to 0.9207. It was also deduced that the TLBO outperforms two benchmark optimizers of cuckoo optimization algorithm (COA) and league championship algorithm (LCA) in terms of both modeling accuracy and network complexity. Moreover, the TLBO-MLP emerged as the most time-effective hybrid as it required considerably lower computation time than COA-MLP and LCA-MLP. Regarding these advantages, the proposed model can be promisingly used for early assessment of EPB in practice.

     

Application of nonlocal strain–stress gradient theory and GDQEM for thermo-vibration responses of a laminated composite nanoshell

In this article, thermal buckling and frequency analysis of a size-dependent laminated composite cylindrical nanoshell in thermal environment using nonlocal strain–stress gradient theory are presented. The thermodynamic equations of the laminated cylindrical nanoshell are based on first-order shear deformation theory, and generalized differential quadrature element method is implemented to solve these equations and obtain natural frequency and critical temperature of the presented model. The results show that by considering C–F boundary conditions and every even layers’ number, in lower value of length scale parameter, by increasing the length scale parameter, the frequency of the structure decreases but in higher value of length scale parameter this matter is inverse. Finally, influences of temperature difference, ply angle, length scale and nonlocal parameters on the critical temperature and frequency of the laminated composite nanostructure are investigated.

     

An efficient quantum circuit analyser on qubits and qudits

This paper presents a highly efficient decomposition scheme and its associated Mathematica notebook for the analysis of complicated quantum circuits comprised of single/multiple qubit and qudit quantum gates. In particular, this scheme reduces the evaluation of multiple unitary gate operations with many conditionals to just two matrix additions, regardless of the number of conditionals or gate dimensions. This improves significantly the capability of a quantum circuit analyser implemented in a classical computer. This is also the first efficient quantum circuit analyser to include qudit quantum logic gates.

Program summary

Program title:CUGates.mCatalogue identifier: AEJM_v1_0Program summary: URL: http://cpc.cs.qub.ac.uk/summaries/AEJM_v1_0.htmlProgram obtainable from: CPC Program Library, Queen?s University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 8168No. of bytes in distributed program, including test data, etc.: 173 899Distribution format: tar.gzProgramming language: MathematicaComputer: Any computer installed with Mathematica 6.0 or higher.Operating system: Any system with a copy of Mathematica 6.0 or higher installed.Classification: 4.15Nature of problem: The CUGates notebook simulates arbitrarily complex quantum circuits comprised of single/multiple qubit and qudit quantum gates.Solution method: It utilizes an irreducible form of matrix decomposition for a general controlled gate with multiple conditionals and is highly efficient in simulating complex quantum circuits.Running time: Details of CPU time usage for various example runs are given in Section 4.     

Rate Equations for 1.3-$mu$ m Dots-Under-a-Well and Dots-in-a-Well Self-Assembled InAs–GaAs Quantum-Dot Lasers

A rate-equation model, in which three discrete quantum-dot (QD) energy levels are assumed and all possible relaxation paths and carrier transport in the GaAs barrier are considered, is presented to analyze the steady-state performance of 1.3 mum undoped and doped dots-under-a-well (DUW) and dots-in-a-well (DWELL) InAs-GaAs QD lasers. DWELL QD lasers have higher saturation value of QD level occupation probabilities and characteristic temperature (T₀) than that of DUW QD lasers due to the improvement of hole confinement. The p-doped QD laser shows lower threshold current density than n-doped QD laser at the same threshold condition, and the T₀ of n-doped DWELL laser is higher than that of p-doped DWELL laser at room temperature. Optimized QD layer number of DUW and DWELL QD lasers with different QD density is discussed     

Nanoscale Film Thickness Gradients Printed in Open Air by Spatially Varying Chemical Vapor Deposition

Nanoscale films are integral to all modern electronics. To optimize device performance, researchers vary the film thickness by making batches of devices, which is time-consuming and produces experimental artifacts. Thin films with nanoscale thickness gradients that are rapidly deposited in open air for combinatorial and high-throughput (CHT) studies are presented. Atmospheric pressure spatial atomic layer deposition reactor heads are used to produce spatially varying chemical vapor deposition rates on the order of angstroms per second. ZnO and Al₂O₃ films are printed with nm-scale thickness gradients in as little as 45 s and CHT analysis of a metal-insulator-metal diode and perovskite solar cell is performed. By testing 360 Pt/Al₂O₃/Al diodes with 18 different Al₂O₃ thicknesses on one wafer, a thicker insulator layer (≈7.0 nm) is identified for optimal diode performance than reported previously. Al₂O₃ thin film encapsulation is deposited by atmospheric pressure chemical vapor deposition (AP-CVD) on a perovskite solar cell stack for the first time and a convolutional neural network is developed to analyze the perovskite stability. The rapid nature of AP-CVD enables thicker films to be deposited at a higher temperature than is practical with conventional methods. The CHT analysis shows enhanced stability for 70 nm encapsulation films.     

Histochemistry of mucin secreting components in mucoepidermoid and adenosquamous carcinoma of the oesophagus

AIMS: To determine the direction of differentiation of the mucin secreting components in a rare group of oesophageal tumours--oesophageal squamous cell carcinomas with prominent mucin secreting components (mucoepidermoid carcinomas and adenosquamous carcinomas). METHODS: In a review of 617 cases of primary carcinoma of the oesophagus, 16 cases of squamous cell carcinoma with prominent mucin secreting components were studied using a battery of histochemical techniques. RESULTS: The mucin produced by these tumours was mixed and included a variable content of enzyme labile sialomucin (positive for mucicarmine, periodic acid Schiff, and alcian blue, and sensitive to sialidase digestion and negative for high iron diamine-alcian blue). Retrospective analysis of endoscopic biopsy specimens taken from these tumours showed that mucin was present in five (42%) cases. CONCLUSIONS: The glandular component of this group of tumours histochemically differentiated in the direction of oesophageal glands: examination of the mucin secreting component in squamous cell carcinoma in resected specimens is therefore required for recording the true incidence of this type of tumour.     

Evaluation of liver function and lipid metabolism following Norplant implant removal

Sixty patients with unilateral cleft lip and palate were compared for lip and nose appearance. All patients were photographed from an anteroposterior and a basal view at 7-10 years of age. The photographic registration method was tested for validity and accuracy. Although the four groups of 15 patients each were treated according to different protocols, many similarities were found with shorter lip heights at the cleft side and inclination of the rima oris. Asymmetry of nose and retropositioning at the cleft side naris were generally seen. Significantly straighter noses were demonstrated in the group treated with a two-stage lip nose operation combined with nose plugs, and the two groups where vomer flaps were used showed the greatest deviation of the nose.