Immense Applications Research Articles

DFT Analysis and Molecular Docking Studies of the Cocrystals of Sulfathiazole-Theophylline and Sulfathiazole-Sulfanilamide

Cocrystals are of immense applications in crystal engineering and pharmaceutical chemistry. Sulfathiazole is found to form cocrystals with theophylline (S1) and sulfanilamide (S2). The experimental and computed values assigned by potential energy distribution. Further natural bond orbital analysis, nonlinear optical properties, frontier molecular orbitals and molecular geometries were also calculated. Frontier orbital energies are used to predict the energy properties and model the possible charge transfer between the cocrystal constituents. The molecular electrostatic potential (MEP) surface reveals the various reactive surfaces in the cocrystal system, which is very important in deciding various biological activities. The ultraviolet-visible (UV-Vis) spectra show the possible electronic transitions of the molecules. Simulated electronic spectra using time dependent density functional theory (TDDFT) method with Coulomb-attenuating method, Becke 3-parameter, Lee-Yang-Parr (CAM-B3LYP) functional was used to investigate the suitability of the cocrystals to be used in dye-sensitized solar cell (DSSC). Moreover docking proves that S1 and S2 cocrystals act as potential inhibitors and paves the way for developing effective drugs.

A Simple Technique for Studying Chaos Using Jerk Equation with Discrete Time Sine Map

Over the past decade, chaotic systems have found their immense application in different fields, which has led to various generalized, novel, and modified chaotic systems. In this paper, the general jerk equation is combined with a scaled sine map, which has been approximated in terms of a polynomial using Taylor series expansion for exhibiting chaotic behavior. The paper is based on numerical simulation and experimental verification of the system with four control parameters. The proposed system’s chaotic behavior is verified by calculating different chaotic invariants using MATLAB, such as bifurcation diagram, 2-D attractor, Fourier spectra, correlation dimension, and Maximum Lyapunov Exponent. Experimental verification of the system was carried out using Op-Amps with analog multipliers.

Facets of diatom biology and their potential applications

Diatoms are the reservoir of bioactive compounds which have immense application in nutrition, industrial commodities and ecological studies. In the oceans, diatoms form a large bloom of silica under favourable conditions, whereas, in lentic and lotic systems, they colonize according to seasonal disturbances. Notably, the survival of diatoms in a stressed environment is because of their uniqueness; therefore, diatoms serve as an ideal candidate to understand the evolutionary paradigm and successional dynamics. This review outlines the biological uniqueness of diatoms, their role in biogeochemical cycles and the recolonization pattern of diatoms in anthropic disturbed habitats. Furthermore, a detailed discussion on different technologies for extracting valuable biomolecules with an emphasis on lipid extraction has been carried out. Moreover, the diatom-based photosynthetic biorefinery approach for a better understanding of the renewable usage of biomass is done.

Estimation of generalized fractional integral operators with nonsingular function as a kernel

Bessel function has a significant role in fractional calculus having immense applications in physical and theoretical approach. Present work aims to introduce fractional integral operators in which generalized multi-index Bessel function as a kernel, and develop some important special cases which are connected with fractional operators in fractional calculus. Here, we construct important links to familiar findings from some individual occurrence with our key outcomes.

Editorial: Topological investigations of chemical networks

Abstract The topic of computing the topological indices (TIs) being a graph-theoretic modeling of the networks or discrete structures has become an important area of research nowadays because of its immense applications in various branches of the applied sciences. TIs have played a vital role in mathematical chemistry since the pioneering work of famous chemist Harry Wiener in 1947. However, in recent years, their capability and popularity has increased significantly because of the findings of the different physical and chemical investigations in the various chemical networks and the structures arising from the drug designs. In additions, TIs are also frequently used to study the quantitative structure property relationships (QSPRs) and quantitative structure activity relationships (QSARs) models which correlate the chemical structures with their physio-chemical properties and biological activities in a dataset of chemicals. These models are very important and useful for the research community working in the wider area of cheminformatics which is an interdisciplinary field combining mathematics, chemistry, and information science. The aim of this editorial is to arrange new methods, techniques, models, and algorithms to study the various theoretical and computational aspects of the different types of these topological indices for the various molecular structures.

Features to Text: A Comprehensive Survey of Deep Learning on Semantic Segmentation and Image Captioning

With the emergence of deep learning, computer vision has witnessed extensive advancement and has seen immense applications in multiple domains. Specifically, image captioning has become an attractive focal direction for most machine learning experts, which includes the prerequisite of object identification, location, and semantic understanding. In this paper, semantic segmentation and image captioning are comprehensively investigated based on traditional and state‐of‐the‐art methodologies. In this survey, we deliberate on the use of deep learning techniques on the segmentation analysis of both 2D and 3D images using a fully convolutional network and other high‐level hierarchical feature extraction methods. First, each domain’s preliminaries and concept are described, and then semantic segmentation is discussed alongside its relevant features, available datasets, and evaluation criteria. Also, the semantic information capturing of objects and their attributes is presented in relation to their annotation generation. Finally, analysis of the existing methods, their contributions, and relevance are highlighted, informing the importance of these methods and illuminating a possible research continuation for the application of semantic image segmentation and image captioning approaches.

CRISPR-Cas9: A fascinating journey from bacterial immune system to human gene editing.

Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-Cas system has been discovered as an adaptive-immune system in prokaryotes. Microbes like bacteria and archaea use CRISPR-Cas9 as a part of their defense mechanism to ward off the virus and cleave their DNA. Over the past decades, researchers have identified that this simple CRISPR-Cas9 system of bacteria can be utilized to cut any DNA. It is also possible to make precise editing in the genome of almost any organism. This discovery has revolutionized the CRISPR-Cas9 tools and made it one of the most precise gene editing technology known till date. The simple, versatile and programmable nature of CRISPR-Cas9 system 5wthat contains a single guide RNA and Cas9 enzyme, made it an attractive choice for genome editing application. Scientists in the field of molecular biology, genetics and medicine extensively use this transformative technology to study gene regulation and also for treatment of several incurable genetic diseases. Today, CRISPR-Cas9 is the most powerful breakthrough of the century for its immense potential to modulate gene expression in living cells and its application to medicine and human health. Recently, ethical challenges associated with the application of this technology to human health become a hot debate in the scientific community. In this chapter the brief history of development of CRISPR-Cas9 tools and its immense application potential have been discussed.

Alkalophilic Protease Producing Bacteria and Some Biotechnological Potentials

Background: Extremophiles are a hot topic in the field of biotechnology for their immense potential and applications in multiple industries.
 Objectives: The present review aims to sum up the potential applications of alkalophilic protease-producing bacteria and their optimized growth requirement. The isolation, characterization, and optimization of various isolates (especially of genus Bacillus) from different harsh niches, including soil samples from deserts and soil having decaying matters, wastewaters from industries, soda lakes, and alkaline springs have been reported in this review.
 Methodology: All the relevant papers published from 2013-2020 were looked over numerous sources like Google Scholar, Medline, PubMed, Research Gate, Science Direct, Scopus and Web of Science.
 Results: Most of the microbial life found in extreme alkaline habitats are found to form a variety of enzymes and an array of other substances of biotechnological interests. These enzymes, especially proteases, are exploited in industries globally because of their ability to withstand rigorous industrial reactions and conditions.
 Conclusion: Though a number of alkalophilic protease-producing bacteria have been isolated, still a large number of these micro-organisms are unidentified. The current demand for biotechnological products from them appeals to the need for isolation of unidentified bacteria.

Study of Additive Manufacturing for the Aircraft Industry

This is a review paper on 3D printing, its significance, and future scope in the aircraft industry.In this article, additive manufacturing is compared with traditional manufacturing in the context of the aircraft industry that gives more accurate knowledge about how additive manufacturing is more effective in terms of cost-cutting, waste prevention, customization, and large-scale production. We will go into the need for 3D printing technology, how it has taken in step over other manufacturing process and are being used for a host of different applications. The paper gives sufficient information about various types of material used in additive manufacturing with the applications, examples, requirements, and process moreover some overview of limitations as well. How Rapid tooling is used with a different process to reduce time and get more productive and efficient parts for the aircraft industries. The use of 3D printing technology in the aircraft industry plays a major role and gained immense applications. It has greatly affected the production line due to its flexibility and ease of production. It is capable of producing intricate parts, a more resilient and lightweight structure that achievesa weight reduction of 40-60%, subsequently result in a leaner cost structure, material saving, and lower fuel consumption.The last section deals with the future scope of additive manufacturing in the aircraft industry with various parameters design aircraft wings, complex design parts, additive manufacturing in space. More companies and the aerospace industry continue to see the value of 3D printing and begin developing on-site 3D printing operations and investing in the technology.

Some topological indices of dendrimers

There are immense applications of graph theory in chemistry and in the study of molecular structures, and after that, it has been increasing exponentially. Molecular graphs have points (vertices) representing atoms and lines (edges) that represent bonds between atoms. In this paper, we study the molecular graph of porphyrin, propyl ether imine, zinc–porphyrin and poly dendrimers and analyzed its topological properties. For this purpose, we have computed topological indices, namely the Albertson index, the sigma index, the Nano-Zagreb index, the first and second hyper [Formula: see text]-indices of porphyrin, propyl ether imine, zinc–porphyrin and poly dendrimers.

A review: Brain specific delivery

The overall prevalence rate for CNS pathology has demonstrated that approximately more than one billion people are undergoing from disorders of central nervous system. The most distressing fact about delivery of drugs to the CNS is the presence of blood brain barrier that have a tendency to impair the drug distribution and denotes the major impediment for the development of CNS drugs. Neuropeptides and many drugs which are hydrophilic in nature possibly will encompass the intricacy while passing the blood brain barrier. The net amount of delivered drug (medicinal agent) and its capability to gain access to the pertinent target sites are the main considering points for CNS drug development. Brain targeted drug delivery to the brain is valuable in the diseases of brain. (Alzheimer’s diseases, meningitis, brain abscess, epilepsy, multiple sclerosis, neuromylitis optica, sleeping disorders etc). Whereby high concentration can be gained with lesser side effects that occur because of release of drugs. The simplest method of targeting to brain is to obtain a therapeutic. Brain targeting systems to remain in the brain region by crossing BBB and hence significantly helps in increasing therapeutic activity. There is an increasing attraction towards brain targeting and sue to its immense application in the treatment of various CNS diseases because mostly drugs are unable to cross the BBB. This review article discuss one of the novel technology “nanotechnology” and other aspects that has been developed to target the brain and possess various clinical benefits such as reduced drug dose, less side effects, non-invasive routed, and better patient compliance.

Origami Microfluidic Microbial Fuel Cell for Powering Iot Node with Iot Cloud Platform

Microbial fuel cells (MFCs) are bio-electrochemical devices that produce electrical current from the electrochemically active bacteria (EABs). These bacteria generate the electrons from the degraded organic matter and harness renewable and pollution-free energy in a self-sustaining manner. Due to its user-friendly architecture, neutral pH, simple operating conditions and amenability to integrate with the on-chip technology, MFCs are the economical and convenient alternative to conventional power sources. Since the first development of MFC, an ample amount of studies have been reported especially to harness new bacteria types, inoculation protocols, and cell and bioelectrode fabrication methodologies. As a result, several MFCs have been successfully developed as a biosensor and power hub by utilizing various fluid resources, such as domestic and industrial wastewater, urine, and soiled water from sewage. However, in order to be commercially viable, the device architecture and size of the MFCs become the essential parameter for power generation, which decides the potential application. In this context, several micro-scale MFC architectures have been proposed. Among these, the paper-based microfluidic fuel cell technology has drawn remarkable attention due to its inexpensive and inherent fluid flow capillary action properties. In addition, wide array (series/parallel) configurations have been incorporated to further enhance the power output.With these MFCs, a extensive range of applications, such as powering LEDs, digital thermometer, wireless, sensors, radio nodes etc., have been successfully demonstrated. With this flexibility and unique features, paper-based MFCs have the ability to monitor the on-field parameter (temperature, humidity, hazardous gas etc.) using the Internet of Things (IoT) cloud network. Currently, The Internet of Things (IoT) technology is the most popular technology in the field of wireless data transmission with IoT cloud. It connects various devices and their protocols over internet infrastructure which can be monitored, analyzed, and controlled remotely over the internet. It has an immense application in the field of healthcare, agriculture, automotive, and remote sensing sectors.In this study, as a proof of concept, the Shewanella putrefaciens powered stacked origami MFCs have been demonstrated to drive an ultra-low-power (ULP) IoT node to measure the on-field ambient temperature and transmit corresponding data to a mobile phone. The IoT node requires 2.5–3.3 volt for proper operation, therefore a DC-DC booster was used just after the fuel cell to step-up the low voltage. This step-up voltage was further stored in the supercapacitor to supply power to the IoT node in case of a high current requirement. Finally, after powering the IoT node, it sends the temperature data over low-power Bluetooth low energy (BLE) that can be observed by any smartphone supporting Bluetooth 4.0 and nRF connect android app. The detailed stepwise integrated block diagram from MFC to a mobile phone has been displayed in Figure 1. The proposed approach offers autonomous environmental monitoring using paper-based MFC as a viable substitute for conventional power sources. Figure 1: Block diagram of complete setup MFCs powering IoT node which communicates to smartphone and IoT cloud servers Figure 1

CuO{001} as the Most Active Exposed Facet for Allylic Oxidation of Cyclohexene via a Greener Route

AbstractAllylic oxidation of olefins to α,β‐unsaturated carbonyl compounds, especially2‐cyclohexen‐1‐one, by the oxidation of cyclohexene is a prime chemical transformation in the organic industry due to its immense application as an intermediate in the synthesis of fine chemicals, pharmaceutical products, and perfumery products. Herein, we demonstrate microstructured copper oxide (CuO) as an efficient catalyst to oxidize cyclohexene to 2‐cyclohexen‐1‐oneand other value‐added intermediates in the presence of aerobic molecular oxygen as oxidant at 80 °C with outstanding conversion of cyclohexene and high selectivity towards 2‐cyclohexen‐1‐one. CuO with diverse shapes was synthesized by a one‐step hydrothermal method. CuO plates (PLs) and flowers (FLs) were obtained by varying the ammonia and sodium hydroxide concentration, and CuO spheres (SPs) and hollow spheres (HSs) were prepared by varying the urea concentration. Under optimized conditions, the CuO FL2 catalyst shows the highest conversion of cyclohexene (97.6 %) due to its smaller size, higher surface charge, and high‐energy {001} exposed facets. Reaction parameters such as reaction temperature, reaction duration, and catalyst concentration were varied to obtain the optimal reaction conditions for cyclohexene oxidation. Moreover, the CuO FL2 catalyst was recycled several times without any significant loss of catalytic activity, which ascertains recyclability and high stability of the catalyst for industrial use.

Synthesis, characterization and biocompatibility studies of carbon quantum dots from Phoenix dactylifera.

In the present study, Carbon Quantum Dots (CQDs) were synthesized from Phoenix dactylifera (Date palm fruit) using microwave-assisted pyrolysis and were characterized for its various properties. The synthesized CQD sample exhibited a narrow absorbance peak at 270nm in UV-Vis spectrum that indicated generation of narrow sized particles. The FTIR analysis of the crude CQDs and dialysed sample revealed the various functional groups involved in the formation of CQDs. TEM data revealed the nature of CQDs to be quasi-spherical and spatially distributed. Biocompatibility of the CQDs was studied using various model systems. CQDs displayed no cytotoxic and anti-clonogenic property when exposed to WRL-68 cell line whereas a slight toxicity was evident in HT1080 post 24h of incubation suggesting the tremendous potential of the CQDs in the synergistic killing of cancer cells. Phytotoxicity assessment in four different seedlings revealed the non-toxic nature of CQDs. Further these CQDs were found to possess high biocompatibility imposing no inhibition in microbial growth and zilch effect on the development of zebrafish embryos. Thus these CQDs can find immense potential applications in fields of biomedicine as biomolecule detection, drug carriers, fluorescent tracers and in controlling the drug release.

Synergistic effect of carbon nanotubes and nano-hydroxyapatite on mechanical properties of polyetheretherketone based hybrid nanocomposites

Hybrid nanocomposites utilize the benefits of properties of different fillers to enhance its desired properties. Polyetheretherketone (PEEK) based hybrid nanocomposites have immense potential applications in aerospace, automobile, high-temperature electrical applications, and medical and health care. The present work is an attempt to improve the elastic modulus, hardness, fracture resistance, and storage modulus simultaneously by reinforcing the PEEK matrix with multiwall carbon nanotubes (MWCNTs) filler and 30 wt.% nano hydroxyapatite (nHA)-MWCNT hybrid filler. The nanocomposites having 0,1,3,5 and 7 wt.% of MWCNTs were fabricated by the Ball Mixing and Compression Molding Method. Customized Die Heater setup was used to ensure uniform heating and cooling during compression molding. The morphology was examined by Field Emission Scanning Electron Microscopy (FESEM) and Energy-Dispersive X-ray Spectroscopy (EDS) and uniform distribution of nano-fillers was observed. The nanoindentation method was adopted to investigate the Static Mechanical Analysis (SMA) and Dynamic Mechanical Analysis (DMA) at varying frequencies of loading, of nanocomposites. At 5 wt.% of MWCNTs, the enhancements in elastic modulus, hardness, fracture resistance, and storage modulus were observed to be 80%, 36%, 32%, and 58% respectively in case of PEEK/(0–7%)MWCNT nanocomposite and 104%, 76%, 16%, and 80% respectively in case of PEEK/30%nHA-(0–7%)MWCNT hybrid nanocomposite. The decrements in loss factor indicated the improvement in elastic behavior of nanocomposites with increasing wt.% of MWCNTs. The elastic modulus of PEEK/30%nHA-5%MWCNT hybrid nanocomposite was observed to be 7.67 GPa, which falls within the range of elastic modulus of the human cortical bone. The results revealed that 5 wt.% of MWCNTs is optimum filler composition for improving the mechanical properties.

Design and characterization of plasticized bacterial cellulose/waterborne polyurethane composite with antibacterial function for nasal stenting.

A nasal stent capable of preventing adhesions and inflammation is of great value in treating nasal diseases. In order to solve the problems of tissue adhesion and inflammation response, we prepared plasticized bacterial cellulose (BCG) and waterborne polyurethane (WPU) composite with antibacterial function used as a novel nasal stent. The gelation behavior of BCG could contribute to protecting the paranasal sinus mucosa; meanwhile, the WPU with improved mechanical property was aimed at supporting the narrow nasal cavity. The thickness, size and the supporting force of the nasal stent could be adjusted according to the specific conditions of the nasal. Thermogravimetric analysis, contact angle and water absorption test were applied to investigate the thermal, hydrophilic and water absorption properties of the composite materials. The composite materials loaded with poly(hexamethylene biguanide) hydrochloride maintained well antibacterial activity over 12 days. Animal experiments further revealed that the mucosal epithelium mucosae damage of BCG−WPU composite was minor compared with that of WPU. This new type of drug-loaded nasal stent can effectively address the postoperative adhesions and infections while ensuring the health of nasal mucosal, and thus has an immense clinical application prospects in treating nasal diseases.

Recent advancement in electric discharge machining of metal matrix composite materials

Spark Erosion Machining which is also known as Electric Discharge Machining (EDM) is one of the most commonly used non-conventional machining process for the machining of electrically conductive materials by utilizing precise controlled spark which take place between a tool and work piece in the presence of dielectric liquid. Presently in now days EDM procedure is usually utilized for machining of advanced material such as ceramic, composite, metal matrix composite (MMC), ceramic matrix composite (CMC) etc. which have immense applications in automobile, aerospace, shipyard and railway application. Presently among all MMC material aluminium MMC material are mostly used because of their outstanding properties such as low density, remarkable wear and corrosive resistance, tensile strength and low coefficient of thermal expansion. It is very difficult to machine MMC material with help of conventional machine because of high tool wear rate and high tooling cost. Nonconventional machining provides a provision to machine such a material efficiently. This paper represents a review of EDM on MMC material, effect of electrical and non electrical parameter on the machining characteristics, optimization of EDM parameter and determination of more optimistic methodology. This paper also reveals some future research trend that can be performed in future in the same region.

Highly effective adsorption of copper ions by poly(vinyl imidazole) cryogels

Recently, 3D cryogels with the interconnected macropore structure have gained great attention owing to their immense application potential in wastewater cleanup. Here, we fabricated a pure poly(vinyl imidazole) cryogel through improved cryogelation method, adding the pre-freezing–thawing step, which reduced the temperature difference between the different positions of the precursor solution during reaction. Compression experiments showed that the prepared 3D cryogel featured a robust underwater elastic performance. The adsorption capacity of Cu(II), Ni(II), Zn(II), Co(II), Pb(II), and Cd(II) ions from aqueous solutions by the poly(vinyl imidazole) cryogel was explored. The results showed the specific adsorption of Cu(II), in which the adsorption capacity and removal efficiency reached 148 mg/g and 99.99%, respectively. The adsorption capacity was 58 times higher than that of the reported poly(vinyl imidazole) cryogel which was prepared using hydroxyethyl methacrylate as the comonomer frameworks. In the reusability studies, the cryogel exhibited accumulating Cu(II) ions performance and excellent regeneration capability, making it a promising adsorbent for Cu(II) removal.

DYNAMIC BEHAVIOR OF METHYLENE BLUE ONE. coliK30 CAPSULAR POLYSACCHARIDE USING LAYER BY LAYER SELF-ASSEMBLY TECHNIQUE

Layer-by-layer (LbL) self-assembly is one of the unique methods for fabrication of ultra-thin film. This technique has immense application aross many fields in today’s life. In this paper, we have presented the fabrication of the thin film comprising of antifungal and antibacterial cationic dye methylene blue with negatively charged E. coli K30 bacterial polysaccharide sharing with PAH. The multilayers were characterized by UV–Vis absorption spectra and AFM. Various photophysical behaviors were investigated. Such studies provide a new light in the research of layer by layer self-assembly technique.

An innovative technique of harvesting soil gas as a highly efficient source of 222Rn for calibration applications in a walk-in type chamber: part-1

The paper describes a novel technique to harvest 222Rn laden air from soil gas of natural origin as a highly efficient source of 222Rn for calibration applications in a walk-in type 222Rn calibration chamber. The technique makes use of a soil probe of about 1 m to draw soil gas, through a dehumidifier and a delay volume, using an air pump to fill the calibration chamber. 222Rn concentration in the range of a few hundred Bq m−3 to a few tens of kBq m−3 was easily attained in the chamber of volume 22.7 m3 within a short pumping duration of 1 h. A new technique referred to as “semi-dynamic mode of operation” in which soil gas is injected into the calibration chamber at regular intervals to compensate for the loss of 222Rn due to decay and leak is discussed. Harvesting soil gas has many important advantages over the traditional methods of 222Rn generation for calibration experiments using finite sources such as solid flow-through, powdered emanation, and liquid sources. They are: (1) soil gas serves as an instantaneous natural source of 222Rn, very convenient to use unlike the high strength 226Ra sources used in the calibration laboratories, and has no radiation safety issues, (2) does not require licensing from the regulatory authority, and (3) it can be used continuously as a non-depleting reservoir of 222Rn, unlike other finite sources. The newly developed technique would eliminate the need for expensive radioactive sources and thereby offers immense application in a variety of day to day experiments—both in students and research laboratories.