DFT-Assisted Design and Evaluation of Bifunctional Amine/Pyridine-Oxazoline Metal Catalysts for Additions of Ketones to Unactivated Alkenes and Alkynes

Bifunctional catalyst systems for the direct addition of ­ketones to unactivated alkenes/alkynes were designed and modeled by density functional theory (DFT). The designed catalysts possess bidentate ligands suitable for binding of pi-acidic group 10 metals capable of activating alkenes/alkynes, and a tethered organocatalyst amine to ­activate the ketone via formation of a nucleophilic enamine intermediate. The structures of the designed catalysts before and after C–C bond formation were optimized using DFT, and reaction steps involving group 10 metals were predicted to be significantly exergonic. A novel oxazoline precatalyst with a tethered amine separated by a meta-substituted benzene spacer was synthesized via a 10-step sequence that ­includes a key regioselective epoxide ring-opening step. It was combined with group 10 metal salts, including cationic Pd(II) and Pt(II), and screened for the direct addition of ketones to several alkenes and an ­internal alkyne. 1H NMR studies suggest that catalyst-catalyst inter­actions with this system via amine–metal coordination may preclude the desired addition reactions. The catalyst design approach disclosed here, and the promising calculations obtained with square planar group 10 metals, light a path for the discovery of novel bifunctional catalysts for C–C bond formation

Oscillation-based DFT for Second-order Bandpass OTA-C Filters

This document is the Accepted Manuscript version. Under embargo until 6 September 2018. The final publication is available at Springer via https://doi.org/10.1007/s00034-017-0648-9.This paper describes a design for testability technique for second-order bandpass operational transconductance amplifier and capacitor filters using an oscillation-based test topology. The oscillation-based test structure is a vectorless output test strategy easily extendable to built-in self-test. The proposed methodology converts filter under test into a quadrature oscillator using very simple techniques and measures the output frequency. Using feedback loops with nonlinear block, the filter-to-oscillator conversion techniques easily convert the bandpass OTA-C filter into an oscillator. With a minimum number of extra components, the proposed scheme requires a negligible area overhead. The validity of the proposed method has been verified using comparison between faulty and fault-free simulation results of Tow-Thomas and KHN OTA-C filters. Simulation results in 0.25μm CMOS technology show that the proposed oscillation-based test strategy for OTA-C filters is suitable for catastrophic and parametric faults testing and also effective in detecting single and multiple faults with high fault coverage.Peer reviewedFinal Accepted Versio

A Review of Fault Diagnosing Methods in Power Transmission Systems

Transient stability is important in power systems. Disturbances like faults need to be segregated to restore transient stability. A comprehensive review of fault diagnosing methods in the power transmission system is presented in this paper. Typically, voltage and current samples are deployed for analysis. Three tasks/topics; fault detection, classification, and location are presented separately to convey a more logical and comprehensive understanding of the concepts. Feature extractions, transformations with dimensionality reduction methods are discussed. Fault classification and location techniques largely use artificial intelligence (AI) and signal processing methods. After the discussion of overall methods and concepts, advancements and future aspects are discussed. Generalized strengths and weaknesses of different AI and machine learning-based algorithms are assessed. A comparison of different fault detection, classification, and location methods is also presented considering features, inputs, complexity, system used and results. This paper may serve as a guideline for the researchers to understand different methods and techniques in this field

A review of RFI mitigation techniques in microwave radiometry

Radio frequency interference (RFI) is a well-known problem in microwave radiometry (MWR). Any undesired signal overlapping the MWR protected frequency bands introduces a bias in the measurements, which can corrupt the retrieved geophysical parameters. This paper presents a literature review of RFI detection and mitigation techniques for microwave radiometry from space. The reviewed techniques are divided between real aperture and aperture synthesis. A discussion and assessment of the application of RFI mitigation techniques is presented for each type of radiometer.Peer ReviewedPostprint (published version