Molecular structures and conformational studies of triarylcyclopropyl and related nonsteroidal antiestrogens

Molecular structures and conformational characteristics of a series of 1,1-dichloro-2,2,3-triarylcyclopropanes (DTACs), which were reported previously to be distinctly antiestrogenic and inhibitors of the estrogen-receptor-positive MCF-7 human breast cancer cells in culture, are reported. In addition, structural and conformational features of the DTACs were compared to the first-known nonsteroidal antiestrogen, MER25, and the clinically useful antiestrogen Tamoxifen. The molecular structures of four DTAC compounds were determined by X-ray diffraction. Crystallographic structures show that the DTAC molecules have nearly the same relative conformation for the three aryl rings which is designated as a "nonpropeller" conformation in contrast to the observed "propeller" conformation for the three rings in all known triarylethylenes. Systematic conformational searches were performed to find the conformational preferences of DTACs, MER25, and Tamoxifen using idealized model compounds built from their respective crystal structure. Energy-minimization and conformational-search studies demonstrated that all DTAC molecules have a common, single global minimum energy conformer for their central core containing the dichlorotriarylcyclopropyl system, which is similar to that found in their crystal structures. Conformational search of MER25 showed that the molecule can assume a number of low-energy conformers of which two, one anti (A1) and one gauche (G1A), have about the same energy. The anti conformation is similar to the one observed in its crystal structure and resembles the estrogenic E-isomer of Tamoxifen, while the lowest energy gauche conformer of MER25 resembles more closely the antiestrogenic Z-isomer of Tamoxifen. NMR spectroscopic analysis of MER25 showed that the molecule exists predominantly in the anti conformation in solution. A comparative review of the structural features and bioactivities of Tamoxifen, DTACs, and MER25 provides a possible explanation for their low estrogen receptor binding affinity which is common to these compounds together with their antiestrogenic activity.     

ESPAR array design for the UHF RFID wireless sensor communication system

In this paper, in order to improve the received signal strength (RSS) and signal quality, three arrays of electronically steerable parasitic array radiator (ESPAR) antennas are suggested for the ultra-high frequency (UHF) radio frequency identification (RFID) communication and sensing system applications. Instead of the single antenna, the array antennas have recently been widely used in many communication systems because of their peak gains, better radiation patterns, and higher radiation efficiency. Also, there are some important issues to use the antenna array like high data rates in wireless communication systems and to better understand the many targets or sensors. In this article, a wireless sensor network (WSN) is being investigated to overcome multipath fading and interference by antenna nulling technology that can be achieved through beam control ESPAR array antennas. The proposed ESPAR array antennas exhibit higher gains like 9.63, 10.2, and 12 dBi and proper radiation patterns from one array to another. Moreover, we investigate the mutual coupling effect on the performance of array antennas with different spacing (0.5λ, 0.75λ, λ) and configurations. It is found that the worst mutual coupling reduced by −28 to −34 dB for 2 × 2 array, −3 to −43 dB for 2 × 3 array, and finally −42 dB to −51 dB due to the antenna spacing from 0.5λ to λ. Thus, these suggested antennas could effectively be applied in the WSN communication systems, internet of things (IoT) networks, and massive wireless and backscatter communication systems.     

A framework of genetic algorithm-based CNN on multi-access edge computing for automated detection of COVID-19

The Journal of Supercomputing - This paper designs and develops a computational intelligence-based framework using convolutional neural network (CNN) and genetic algorithm (GA) to detect COVID-19...     

Summarizing consumer reviews

Journal of Intelligent Information Systems - E-commerce giants like Amazon rely on consumer reviews to allow buyers to inform other potential buyers about a product’s pros and cons. While...     

Topological alternate centrality measure capturing drug targets in the network of MAPK pathways

A new centrality of the nodes in the network is proposed called alternate centrality, which can isolate effective drug targets in the complex signalling network. Alternate centrality metric defined over the network substructure (four nodes – motifs). The nodes involving in alternative activation in the motifs gain in metric values. Targeting high alternative centrality nodes hypothesised to be destructive free to the network due to their alternative activation mechanism. Overlapping and crosstalk among the gene products in the conserved network of MAPK pathways selected for the study. In silico knock‐out of high alternate centrality nodes causing rewiring in the network is investigated using MCF‐7 breast cancer cell line‐based data. Degree of top alternate centrality nodes lies between the degree of bridging and pagerank nodes. Node deletion of high alternate centrality on the centralities such as eccentricity, closeness, betweenness, stress, centroid and radiality causes low perturbation. The authors identified the following alternate centrality nodes ERK1, ERK2, MEKK2, MKK5, MKK4, MLK3, MLK2, MLK1, MEKK4, MEKK1, TAK1, P38alpha, ZAK, DLK, LZK, MLTKa/b and P38beta as efficient drug targets for breast cancer. Alternate centrality identifies effective drug targets and is free from intertwined biological processes and lethality.Inspec keywords: biochemistry, molecular biophysics, cellular biophysics, cancer, drugs, genetics, biomedical materialsOther keywords: MAPK pathways, complex signalling network, pagerank nodes, node deletion, drug targets, MCF‐7 breast cancer cell line‐based data, cellular mechanisms, ERK1 nodes, ERK2 nodes, MEKK2 nodes, MKK5 nodes, MKK4 nodes, MLK3 nodes, MLK2 nodes, MLK1 nodes, MEKK4 nodes, MEKK1 nodes, TAK1 nodes, P38alpha nodes, ZAK nodes, DLK nodes, LZK nodes, MLTKa/b nodes, P38beta nodes     

Inorganic-Based Printed Thermoelectric Materials and Devices

One of the simplest ways to generate electric power from waste heat is thermoelectric (TE) energy conversion. So far, most of the research on thermoelectrics has focused on inorganic bulk TE materials and their device applications. However, high production costs per power output and limited shape conformity hinder applications of state-of-the-art thermoelectric devices (TEDs). In recent years, printed thermoelectrics has emerged as an exciting pathway for their potential in the production of low-cost shape-conformable TEDs. Although several inorganic bulk TE materials with high performance are successfully developed, achieving high performance in inorganic-based printed TE materials is still a challenge. Nevertheless, significant progress has been made in printed thermoelectrics in recent years. In this review article, it is started with an introduction signifying the importance of printed thermoelectrics followed by a discussion of theoretical concepts of thermoelectricity, from fundamental transport phenomena to device efficiency. Afterward, the general process of inorganic TE ink formulation is summarized, and the current development of the inorganic and hybrid inks with the mention of their TE properties and their influencing factors is elaborated. In the end, TEDs with different architecture and geometries are highlighted by documenting their performance and fabrication techniques.     

Infrared Spectroscopy-Based Chemometric Analysis for Lard Differentiation in Meat Samples

One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness. The rapid and accurate identification mechanism for lard adulteration in meat products is highly necessary, for developing a mechanism trusted by consumers and that can be used to make a definitive diagnosis. Fourier Transform Infrared Spectroscopy (FTIR) is used in this work to identify lard adulteration in cow, lamb, and chicken samples. A simplified extraction method was implied to obtain the lipids from pure and adulterated meat. Adulterated samples were obtained by mixing lard with chicken, lamb, and beef with different concentrations (10%–50% v/v). Principal component analysis (PCA) and partial least square (PLS) were used to develop a calibration model at 800–3500 cm⁻¹. Three-dimension PCA was successfully used by dividing the spectrum in three regions to classify lard meat adulteration in chicken, lamb, and beef samples. The corresponding FTIR peaks for the lard have been observed at 1159.6, 1743.4, 2853.1, and 2922.5 cm⁻¹, which differentiate chicken, lamb, and beef samples. The wavenumbers offer the highest determination coefficient R² value of 0.846 and lowest root mean square error of calibration (RMSEC) and root mean square error prediction (RMSEP) with an accuracy of 84.6%. Even the tiniest fat adulteration up to 10% can be reliably discovered using this methodology.     

Royal Crown Shaped Polarization Insensitive Perfect Metamaterial Absorber for C-, X-, and Ku-Band Applications

This study proposed a new royal crown-shaped polarisation insensitive double negative triple band microwave range electromagnetic metamaterial absorber (MA). The primary purpose of this study is to utilise the exotic characteristics of this perfect metamaterial absorber (PMA) for microwave wireless communications. The fundamental unit cell of the proposed MA consists of two pentagonal-shaped resonators and two inverse C-shaped metallic components surrounded by a split ring resonator (SRR). The bottom thin copper deposit and upper metallic resonator surface are disjoined by an FR-4 dielectric substrate with 1.6 mm thickness. The CST MW studio, a high-frequency electromagnetic simulator has been deployed for numerical simulation of the unit cell in the frequency range of 4 to 14 GHz. In the TE mode, the offered MA structure demonstrated three different absorption peaks at 6.85 GHz (C-band), 8.87 GHz (X-band), and 12.03 GHz (Ku-band), with 96.82%, 99.24%, and 99.43% absorptivity, respectively. The electric field, magnetic field, and surface current distribution were analysed using Maxwell’s-Curl equations, whereas the angle sensitivity was investigated to comprehend the absorption mechanism of the proposed absorber. The numerical results were verified using the Ansys HFSS (high-frequency structure simulator) and ADS (advanced design system) for equivalent circuit models. Moreover, the proposed MA is polarisation and incident angle independent. Hence, the application of this MA can be extended to a great extent, including airborne radar applications, defence, and stealth-coating technology.     

Harmonic modification and data adaptive filtering based approach to robust pitch estimation

A novel and robust pitch estimation method is presented in this paper. The basic idea is to reshape the speech signal using a combination of the dominant harmonic modification (DHM) and data adaptive time domain filtering techniques. The noisy speech signal is filtered within the ranges of fundamental frequencies to obtain the pre-filtered signal (PFS). The dominant harmonic (DH) of the PFS is determined and enhanced its amplitude. Normalized autocorrelation function (NACF) is applied to that modified signal. Then empirical mode decomposition (EMD) based data adaptive time domain filtering is applied to the NACF signal. Partial reconstruction is performed in EMD domain. The pitch period is determined from the partially reconstructed signal. The experimental results show that the proposed method performs better than the other recently developed methods for noisy and clean speech signals in terms of gross and fine pitch errors.     

A conditional purpose-based access control model with dynamic roles

This paper presents a model for privacy preserving access control which is based on variety of purposes. Conditional purpose is applied along with allowed purpose and prohibited purpose in the model. It allows users using some data for certain purpose with conditions. The structure of conditional purpose-based access control model is defined and investigated through dynamic roles. Access purpose is verified in a dynamic behavior, based on subject attributes, context attributes and authorization policies. Intended purposes are dynamically associated with the requested data object during the access decision. An algorithm is developed to achieve the compliance computation between access purposes and intended purposes and is illustrated with Role-based access control (RBAC) in a dynamic manner to support conditional purpose-based access control. According to this model, more information from data providers can be extracted while at the same time assuring privacy that maximizes the usability of consumers’ data. It extends traditional access control models to a further coverage of privacy preserving in data mining atmosphere. The structure helps enterprises to circulate clear privacy promise, to collect and manage user preferences and consent.