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A new series of N, N-bis([1,1′-biphenyl]-4-ylmethyl)-4-morpholinoaniline derivatives (6a − h, 7i) were synthesized and evaluated their anticonvulsant potential through in vivo and in silico studies. 6 Hz Psychomotor and acute pentylenetetrazol (PTZ) seizure models were used for in vivo anticonvulsant activity. A glide program in a standard precision (SP) model, and the targeted protein 8G5G, 3O7P, and 1PW4 were used for in silico studies. Through in silico and in vivo experiments, it was determined that compounds 6f and 6 h, which exhibit no neurotoxicity when compared to standard drugs (levetiracetam and diazepam), were the most potent among all the synthesized compounds (6a-h, 7i). Multiple binding affinities of synthetic compounds (6a-h, 7i) to localize binding receptors were also observed by in silico study. Based on the docking studies of active molecules with different targets, the aforementioned drugs most likely work via binding to the SV2A transporter and GABA-A receptor.

The synthesis of biodiesel can be achieved using either homogeneous or heterogeneous catalysts. Given the non-renewable nature of homogeneous catalysts, heterogeneous catalysts are increasingly preferred for biodiesel production. Agricultural wastes serve as a viable source for these heterogeneous catalysts, contributing to environmental sustainability. This study introduces a novel, eco-friendly, cost-effective, and efficient heterogeneous catalyst that was developed and derived from Citrus limetta peels for biodiesel production. The catalyst was thoroughly characterized using Fourier-transform infrared spectroscopy (FTIR), X-ray diffractograms (XRD), Field Emission Scanning electron microscopy (FESEM), and energy-dispersive X-ray (EDX). Coconut oil, a rich and renewable resource, was used as the feedstock for the biodiesel synthesis. The conversion process was confirmed by 1H NMR, IR spectra, mass spectra, and 13C NMR of the biodiesel. The developed method using the Citrus limetta peel-derived catalyst demonstrated a 100% yield. The results show the optimum conditions for biodiesel synthesis are 1 w/v (for the catalytical dose), with a 6:1 methanol/oil ratio at 60 °C for 3 h. The synthesized biodiesel exhibited a high cetane value of 54, contributing to improved ignition and reduced engine noise. Its sulfur-free composition, boiling point of 294 °C, high viscosity of 2.5 mm2/s, acid value of 0.09 mgKOH/g, and flash point of 142 °C enhance its environmental profile. The catalyst can be used for up to five cycles, underscoring its potential as a cost-effective and sustainable approach for biodiesel production.

Herein, we report a simple and ecofriendly synthesis of ZnO nanoparticles (ZnO NPs) employing Digera muricata along with bioassay studies of synthesized NPs. The ZnO NPs obtained were indicated by a colour change from yellow to almost faint yellow giving whitish tinge and supported by the appearance of UV-Vis band at 373 nm and were characterized by using Fourier transform infrared (FTIR) spectroscopy, energy-dispersive X-ray (EDX), and scanning electron microscopy (SEM). The FT-IR spectrum confirmed the presence of biomolecules fabricated on ZnO NPs as indicated by the absorption bands at 1,378 for C–O cm−1, and ZnO NPs were also evident from the absorption bands at 440 and 670 cm−1, the former being the result of symmetric vibration of hexagonal ZnO and the latter belonged to a very weak vibration of ZnO. Its surface morphology was confirmed by SEM, and the zinc and oxygen bonds were confirmed by EDX analysis giving sharp signals for Zn and oxygen with At% of 17.58 and 30.49, respectively. The antimicrobial activity of ZnO nanoparticles was determined by the agar well diffusion method against pathogenic bacterial and fungal strains using imipenem and miconazole as standards. The results reflected that ZnO NPs enhanced the activity of plant extracts against all employed algal (E. coli, S. faecalis, P. aeruginosa, K. pneumonia, S. aureus, and B. subtilis) and fungal (T. mentogrophytes, E. floccosum, A. niger, M. canis, and F. culmorum) strains. The antibacterial and antifungal activities of extracts were enhanced by the formation of ZnO NPs. The results indicated that Digera muricata extract contains effective reducing agents for green synthesis of Digera muricata fabricated ZnO NPs, which are more potent antimicrobial than the plant extract and showed almost similar inhibition against lipoxygenase, i.e., the IC50 value of 83.82 ± 1.15, comparable to the standard.

We aimed to synthesize sensitive electrochemical sensors for hydrogen peroxide sensing by using zinc oxide nanorods grown on a fluorine-doped tin oxide electrode by using the facial hydrothermal method. It was essential to keep the surface morphology of the material (nanorods structure); due to its large surface area, the concerned material has enhanced detection ability toward the analyte. The work presents a non-enzymatic H2O2 sensor using vertically grown zinc oxide nanorods on the electrode (FTO) surfaces with Cu nanoparticles deposited on zinc oxide nanorods to enhance the activity. Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), energy-dispersive X-Ray (EDX), X-ray diffraction (XRD), and electrochemical methods were used to characterize copper–zinc oxide nanorods. In addition to the high surface area, the hexagonal Cu-ZnO nanorods exhibited enhanced electrochemical features of H2O2 oxidation. Nanorods made from Cu-ZnO exhibit highly efficient sensitivity of 3415 μAmM−1cm−2 low detection limits (LODs) of 0.16 μM and extremely wide linear ranges (0.001–11 mM). In addition, copper-zinc oxide nanorods demonstrated decent reproducibility, repeatability, stability, and selectivity after being used for H2O2 sensing in water samples with an RSD value of 3.83%. Cu nanoparticles decorated on ZnO nanorods demonstrate excellent potential for the detection of hydrogen peroxide, providing a new way to prepare hydrogen peroxide detecting devices.

Topological descriptors are the graph invariants that are used to explore the molecular topology of the molecular/chemical graphs. In QSAR/QSPR research, physico-chemical characteristics and topological invariants including Randić, atom-bond connectivity, and geometric arithmetic invariants are utilized to corelate and estimate the structure relationship and bioactivity of certain chemical compounds. Graph theory and discrete mathematics have discovered an impressive utilization in the area of research. In this article, we investigate the valency-depended invariants for certain chemical networks like generalized Aztec diamonds and tetrahedral diamond lattice. Moreover, the exact values of invariants for these categories of chemical networks are derived.

Chemical graph theory has become a prime gadget for mathematical chemistry due to its wide range of graph theoretical applications for solving molecular problems. A numerical quantity is named as topological index which explains the topological characteristics of a chemical graph. Recently face centered cubic lattice FCC(n) attracted large attention due to its prominent and distinguished properties. Mujahed and Nagy (2016, 2018) calculated the precise expression for Wiener index and hyper-Wiener index on rows of unit cells of FCC(n). In this paper, we present the ECI (eccentric-connectivity index), TCI (total-eccentricity index), CEI (connective eccentric index), and first eccentric Zagreb index of face centered cubic lattice.

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.

Arsenic in drinking water has a chronic effect on humans and thus is a global health issue. Most people of Pakistan use groundwater for drinking, and consequently, prone to As toxicity. The objective of this study was to evaluate laterite as an adsorbent media for As removal, and subsequent preparation of a low-cost As filter. Laterite was tested for As adsorption capacity through batch sorption experiments and fitting to the Langmuir model. Two identical filters were prepared using variable particle size of laterite and substrate material ratios (sand, activated carbon, and brick chips). Arsenic contaminated water was poured daily and collected at the bottom for analysis. The water samples were analyzed for As using an atomic absorption spectrophotometer coupled with a hydride generation assembly. Other water quality parameters viz., electrical conductivity (EC), pH, chloride, total suspended solids (TSS), total dissolved salts (TDS), nitrate, calcium, magnesium, sodium, potassium, carbonate, bicarbonate and sulfate contents were also tested. Filter 1 had an As removal efficiency from 83 to 93 %, while Filter 2 had 67 to 85 % removal efficiency. Most of the water quality parameters remained under the WHO recommended limits indicating no harmful addition to the filtered water by substrates. It appears that laterite may serve as an economical option for As removal from contaminated groundwater.

Abstract Valleytronics is receiving extensive research efforts. Thus, we investigated the electric field-induced valley polarization in the WSe2/CrSnSe3 heterostructures by varying the stacking order. The heterostructure shows indirect band gaps of 270 and 330 meV in the two most stable structures. The WSe2/CrSnSe3 heterostructure displays a ferromagnetic ground state with out-of-plane anisotropy (0.02 meV) in one stable stacking (S-1) while a small in-plane anisotropy (−0.01 meV) is found in other stacking (S-2). The Curie temperature is slightly enhanced to 73 K compared to the monolayer CrSnSe3. We have found the valley splitting of 4 meV in S-1 whereas it became 9 meV in the S-2 system. The valley splitting is further enhanced if an electric field is applied from CrSnSe3 to the WSe2 layer whereas it is suppressed in the reversed electric field. Particularly, the S-2 structure shows a giant valley splitting of 67 meV at an electric field of 0.6 V Å−1. We attribute this electric field-dependency to the dipolar effect. Overall, we propose that the WSe2/CrSnSe3 heterostructure can be a potential structure for obtaining a giant valley splitting.

Drought is the main abiotic stress that severely reduces wheat yield across the globe. To cope up this situation, use of organic amendments is the best option. Biochar is an organic soil amendment that is used to improve soil carbon, organic contents, improve water holding capacity of soil, enhance soil fertility and maintain desired soil. Present study was carried out under semi-arid climatic conditions to mitigate the adverse effects of drought at critical wheat growth stages i.e., tillering (DTS), flowering (DFS) and grain filling stage (DGFS) by using three biochar treatments viz. B0 = Control, B1 = 27.88 g kg−1 and B2 = 37.18 g kg−1. Results revealed that drought stress negatively affected the growth and yield attributes of wheat at all critical growth stages, while, grain filling stage was found the most sensitive stage resulted severe yield reduction. However, biochar application significantly mitigated the detrimental effects of drought by improving number of fertile tillers (19.50%), spike length (6.52%), number of grains per spike (3.07%), thousand grain weight (6.42%), biological (9.43%) and economic yield (13.92%) as compared to control treatment. Moreover, biochar significantly improved water use efficiency and physiological attributes of drought stressed wheat. Principal component analysis linked different scales of study and demonstrated the potential of physio-biochemical traits to explain the wheat yield variations under drought condition with response to biochar application. In crux, biochar application (37.18 g kg−1) can be used as an effective stratagem to achieve improved wheat grain yield through mitigating the adverse effects of drought stress.

Chemical graph theory is a branch of graph theory in which a chemical compound is presented with a simple graph called a molecular graph. There are atomic bonds in the chemistry of the chemical atomic graph and edges. The graph is connected when there is at least one connection between its vertices. The number that describes the topology of the graph is called the topological index. Cheminformatics is a new subject which is a combination of chemistry, mathematics and information science. It studies quantitative structure-activity (QSAR) and structure-property (QSPR) relationships that are used to predict the biological activities and properties of chemical compounds. We evaluated the second multiplicative Zagreb index, first and second universal Zagreb indices, first and second hyper Zagreb indices, sum and product connectivity indices for the planar octahedron network, triangular prism network, hex planar octahedron network, and give these indices closed analytical formulas.

In present study, Pd(0) catalysed Suzuki-Miyaura cross coupling reaction was used to synthesize 2,4-biarylphenyl-5-arylthiophene-2-carboxylate (7a–7f) and 2-aryl-4-chlorophenyl-5-arylthiophene-2-carboxylate derivatives (8a–8l) in moderate to good yields. While 2,4-dibromophenyl-5-bromothiophene-2-carboxylate (4) and 2-bromo-4-chlorophenyl-5-bromothiophene-2-carboxylate (5) were synthesized via Steglich esterification of 5-bromothiophene-2-carboxylic acid (1) with 2,4-dibromo phenol (2) and 2-bromo-4-chlorophenol (3) in the presence of N, N΄-dicyclohexylcarbodiimide (DCC) and 4-(dimethylamino)pyridine (DMAP). 1H and 13C NMR were used to confirm all of the compounds. To screen out the most active lead compounds, binding interactions of all synthesized compounds with MurD and MurE Escherichia coli proteins were evaluated theoretically via molecular docking studies indicating the good binding affinities. DFT calculations were performed out by using DFT-B3LYP/3-21g and structural and reactivity parameters were calculated. Compounds 5, 8b, 8e, 8h, and 8j have demonstrated potential reactivities and charge distributions that indicate their efficiency towards biological targets. These chemicals were tested in vitro for antibacterial activity against Gram-negative bacteria (Escherichia coli) at different concentrations based on theoretical results. The total results were quite close to the theoretical predictions and compound 8j was found to be having the greatest potential value, strongest binding affinities, and a promising antibacterial agent with MIC value of 50 mg/ml against Escherichia coli.

In the modern age, the most important and prevailing issue is the monitoring of human health. To address this, several devices have been developed and a need new materials investigated. The idea of textile-based smart sensors is emerging rapidly. In this regard, ICPs and ECPs have attracted the attention of researchers due to their mechanical adaptability to suit the characteristics of textile fabric. The lighter weight, stretchability and wearability, etc. are considered an advantage while selecting the material for developing sensors not only in health monitoring but also in biomedical, sports, and military fields. The idea behind wearable sensing devices is to enable easy integration of the sensor device into daily life routines. Such wearable sensors also have the potential for real time and online monitoring of human health and integrate with smart monitoring devices. The purpose of this review is to discuss the recent developments in smart monitoring sensors.

The application of graphs in chemical and molecular structures has exponentially increased during the last few years. Topological indices facilitate the collection of beneficial information and provide an approach to understanding the properties of chemical structure by providing information about algebraic graphs. Let G be a graph with u-vertices and Ωu be the degree of uth vertex. In this manuscript, we compute Zagreb index (ZI), first, and second, Hyper F-indices and sum and product connectivity of F-index of silicon carbides, namely, SiC4 – I[r, s] and SiC4 – II[r, s].

The study of graphs containing edges and nodes is of great importance in science and in real life. Topological indices TIs are numerical parameters linked to chemical graphs used to estimate the biological, toxicological, and physical properties of chemical compounds. Recently, two terms, ev-degree- and ve-degree-based TIs, have been defined in chemical graph theory. In this paper, we have estimated degree-based TIs, namely, ev-degree Zagreb M type index, ev-degree Randic R index, ve-degree atom-bond connectivity ABC index, ve-degree geometric arithmetic index GA, ve-degree harmonic H index, and ve-degree sum-connectivity index for SiC4-IIi,j.

Optimized, effective and efficient methodology has been determined in this research work for the recovery of starch from potatoes. Potato starch extraction experimental results have been utilized for the parametric optimization study by using different statistical techniques. In this research work, starch extraction was conducted by employing cellulase enzyme. Response surface methodology (RSM) was put to use to perform statistical analysis to get optimum results. Five-level central composite design (CCD) consisting of three parameters was implemented to investigate the effect of enzyme concentration, contact time and broth dilution. Experiment results revealed that increment in enzyme concentration and contact time enhanced the starch recovery while dilution showed the inverse relation on the recovery of starch. Optimum starch recovery was achieved upto 89% when enzyme concentration (0.5 g/100 g) of potato meal was diluted with 10 mL of water and mixed for 4 h at 45°C.

A massive of early drug tests indicates that there is some strong inner connections among the bio-medical and pharmacology properties of nanostar dendrimers and their molecular structures. Topological descriptors are presented as fundamentally transforming a molecular graph into a number. There exist various categories of such descriptors particularly those descriptors that based on edge and vertex distances. Topological descriptors are exercised for designing biological, physico-chemical, toxicological, pharmacologic and other characteristics of chemical compounds. In this paper, we study infinite classes of siloxane and POPAM dendrimers and derive their Zagreb eccentricity indices, eccentric-connectivity and total-eccentricity indices.

Advanced poly(O-Toluidine) Sn(II) silicotungstate (POTSn(II)SiO2WO3) ternary nanocomposite synthesized by the extremely well-known simple sol–gel method. We have selected a low-cost o-toluidine monomer initiator and abundantly available metal of divalent tin with the silicon tungstate moieties that may work as the exchange sites for the metal ions. The poly(O-toluidine) Sn(II) silicotungstate was prepared by the oxidative polymerization of o-toluidine by potassium persulphate in situ mixings of the Sn(II) tungstate prepared in the separate conical flask at 5 pH. The obtained composite was characterized by various spectrophotometric techniques viz, SEM-EDX, XRD, TGA, FTIR, and its physicochemical characterization was carried out by determining its potential as an ion-selective membrane electrode. The ion-selective membrane was prepared and characterized for, porosity, swelling, and thickness. Based on high porosity and low thickness, the membrane was selected for further studies for the preparation of the selective membrane electrode and found selective for Cd2+. Based on the calibration curve, the Nernstian response was found near the Nernstian response (29.74), good pH range, and broad selectivity range of the metal ion. This ion-selective membrane electrode would be utilized for the determination of metal in unknown samples.

A facile strategy was used for the synthesis of nickel ferrite/zinc oxide (NiFe2O4/ZnO) nanocomposite via an ultra-sonication method and observed its recyclability and photostability with enhanced visible light-driven photocatalytic performance. The photo degradation activities of as-synthesized photocatalysts were investigated using various dyes including methylene blue, crystal violet and methyl orange under solar light irradiation. Prepared material degrades 49.2% methyl orange, 44.4% methyl blue and 41.3% crystal violet in 40 min. Further, the synergistic effect of nickel ferrite and zinc oxide can reduce the probability of recombination of charge carrier and boost the charge separation which leads to remarkable photocatalytic performance. Magnetic properties of nickel ferrite reduces the agglomeration of material and increases the recyclability. The NiFe2O4/ZnO nanocomposites also exhibited better antibacterial activity for Pseudomonas aeruginosa and Staphylococcus aureus, which shows that they can be used for both environmental and biological applications.

Technology’s expansion has contributed to the rise in popularity of social media platforms. Twitter is one of the leading social media platforms that people use to share their opinions. Such opinions, sometimes, may contain threatening text, deliberately or non-deliberately, which can be disturbing for other users. Consequently, the detection of threatening content on social media is an important task. Contrary to high-resource languages like English, Dutch, and others that have several such approaches, the low-resource Urdu language does not have such a luxury. Therefore, this study presents an intelligent threatening language detection for the Urdu language. A stacking model is proposed that uses an extra tree (ET) classifier and Bayes theorem-based Bernoulli Naive Bayes (BNB) as the based learners while logistic regression (LR) is employed as the meta learner. A performance analysis is carried out by deploying a support vector classifier, ET, LR, BNB, fully connected network, convolutional neural network, long short-term memory, and gated recurrent unit. Experimental results indicate that the stacked model performs better than both machine learning and deep learning models. With 74.01% accuracy, 70.84% precision, 75.65% recall, and 73.99% F1 score, the model outperforms the existing benchmark study.

With the growing popularity of online social networks, one common desire of people is to use of social networking services for establishing social relations with others. The boom of social networking has transformed common users into content (data) contributors. People highly rely on social sites to share their ideas and interests and express opinions. Social network sites store all such activities in a data form and exploit the data for various purposes, e.g., marketing, advertisements, product delivery, product research, and even sentiment analysis, etc. Privacy policies primarily defined in Natural Language (NL) specify storage, usage, and sharing of the user’s data and describe authorization, obligation, or denial of specific actions under specific contextual conditions. Although these policies expressed in Natural Language (NL) allow users to read and understand the allowed (or obliged or denied) operations on their data, the described policies cannot undergo automatic control of the actual use of the data by the entities that operate on them. This paper proposes an approach to systematically translate privacy statements related to data from NL into a controlled natural one, i.e., CNL4DSA to improve the machine processing. The methodology discussed in this work is based on a combination of standard Natural Language Processing (NLP) techniques, logic programming, and ontologies. The proposed technique is demonstrated with a prototype implementation and tested with policy examples. The system is tested with a number of data privacy policies from five different social network service providers. Predominantly, this work primarily takes into account two key aspects: (i) The translation of social networks’ data privacy policy and (ii) the effectiveness and efficiency of the developed system. It is concluded that the proposed system can successfully and efficiently translate any common data policy based on an empirical analysis performed of the obtained results.

The mammalian target of rapamycin (mTOR) is the major controller of a number of important cellular activities, including protein synthesis, cell expansion, multiplication, autophagy, lysosomal function, and cellular metabolism. When mTOR interacts with specific adaptor proteins, it forms two complexes, mTOR complex 1 (mTORC1) and mTOR complex 2 (mTORC2). The mTOR signaling system regulates gene transcription and protein manufacturing to control proliferation of cell, differentiation of immune cell, and tumor metabolism. Due to its vital role in case of microbial infections, inflammations and cancer development and progression, mTOR has been considered as a key therapeutic target for the development of targeted medication. As autophagy dysfunction is linked to changes in both innate and adaptive immune responses, bacterial clearance defects, and goblet and Paneth cell malfunction, all of these changes are linked to inflammatory bowel diseases (IBD) and colorectal cancer (CRC) pathogenesis. Preclinical and clinical data have shown that the inhibition and induction of autophagy have significant potential to be translated into the clinical applications. In IBD and several CRC models, mTORC1 inhibitors have been found effective. In the recent years, a number of novel mTOR inhibitors have been investigated in clinical trials, and a number of drugs have shown considerably enhanced efficacy when combined with mTOR inhibitors. The future developments in the mTOR targeting medications can benefit patients in individualized therapy. Advanced and innovative medicines that are more effective and have lower drug resistance are still in high demand. New findings could be relevant in medicine development, pharmacological modification, or future mTOR inhibitor research. Therefore, the goal of this review is to present a comprehensive account of current developments on the mTOR pathway and its inhibitors, with an emphasis on the management of microbial infections, the treatment of inflammatory bowel disease, and the management of colon cancer.

In this work, fabrication of Gd3+ substituted nickel spinel ferrite (NiGdxFe2-xO4) nanoparticles was carried out via co-precipitation route. X-ray powder diffraction (XRD) confirmed the spinel cubic structure of NiGdxFe2-xO4 nanoparticles. XRD data also facilitated to determine the divalent and trivalent metal cations distribution at both A and B sites of the ferrite lattice. Site radii, hopping and bond lengths were also calculated from XRD data. The spectral studies elucidated the formation of cubic spinel ferrite structure as well as stretching vibrations of M–O (metal–oxygen) bond at A and B sites of ferrites, represented by two major bands υ1 and υ2 respectively. FESEM analysis confirmed the irregular morphology of NiGdxFe2-xO4 nanoparticles. EDX spectrographs estimated the elemental compositions. The dielectric attributes were explained on the basis of the Debye-relaxation theory and Koop’s phenomenological model. At higher applied frequencies (AC) no prominent dielectric loss was observed. Magnetic parameter variations can be attributed to the substitution of the rare earth cations having larger ionic radii as compared to the radii of Fe3+ ions. Moreover, spin canting, magneto-crystalline anisotropy and exchange energy of electrons also helped in magnetic evaluation. Due to small coercivity values NiGdxFe2-xO4 nanoparticles can be employed significantly in high-frequency data storage devices.

Platinum nanoparticles (PtNPs) are an attractive candidate for application in many areas of biotechnology, nanomedicine, and pharmacology, owing to their large surface area and biological properties. Different approaches, including physical, chemical, and biological (plants, bacteria, algae, and fungi) are presently being used for synthesis of PtNPs. However, these conventional methods (physical and chemical) present potential threat to health and environment because of the use of harsh chemicals and hazardous reaction conditions, except biological synthesis means which are substantially considered ecofriendly, economic and non-toxic. PtNPs are extensively studied due to their potent physicochemical and biological properties including antioxidant, antimicrobial and anticancer properties. This review offers a comprehensive assessment of the current knowledge about the synthesis of PtNPs using physical, chemical, and biological (plants, bacteria, algae, and fungi) approaches and their potential antimicrobial and biomedical applications especially in cancer and photothermal therapy. Interestingly, this review highlights role of PtNPs as nano-diagnostic and nanomedicine. Furthermore, nanotoxicity related to PtNPs, as well as the future prospects and opportunities of PtNPs based nano-therapeutics are also discussed. Overall, the emerging potential biological applications of PtNPs makes it viable to foresee their more promising outcomes in biomedical field in the upcoming future.

Background: Pain remains a global public heath priority. Phonophoresis, also known as sonophoresis or ultrasonophoresis, is when an ultrasound is used to maximize the effects of a topical drug. Purpose: The objective of this study was to test, in patients injured in sports or accidents (N = 200), the efficacy of diclofenac potassium (DK) 6%, 4%, and 2% formulated gels with and without phonophoresis in comparison with market available standard diclofenac sodium (DS or DN) gel. Methods: The patients were enrolled after informed consent. By using the lottery method, 100 patients were randomly segregated into five groups without phonophoresis and repeated similarly with phonophoresis at a frequency of 0.8 MHz, an intensity of about 1.5 W/cm2, and at continuous mode (2:1). Group-1 was treated with 6% DK gel, group-2 was treated with 4% DK gel, group-3 was treated with 2% DK gel, group-4 was treated with 4% DS gel and group-5 was given control gel three to four times a week for 4 weeks. The patients were screened by using NPRS and WOMAC scales. They were assessed on the baseline, 4th session, 8th session, 12th session, and 16th session. Results: Significant dose-dependently relief was observed in NPRS (Numeric Pain Rating Scale) and the WOMAC (Western Ontario McMaster Osteo-Arthritis) index for pain in disability and stiffness for each group treated with DK gel compared to DS gel. Phonophoresis increased these benefits significantly when used after topical application of DK gel or DS gel, and the dose-dependent effects of DK gel plus phonophoresis were stronger than the dose-dependent effects of DS gel plus phonophoresis. The faster and profounder relief was due to phonophoresis, which allows more penetration of the DK gel into the skin as compared to the direct application of DK gel in acute, uncomplicated soft tissue injury, such as plantar fasciitis, bursitis stress injuries, and tendinitis. In addition, DK gel with phonophoresis was well tolerated. Thus, in this personalized clinical setting, according to the degree of inflammation or injured-induced pain, disability, and stiffness, DK gel 6% with phonophoresis appeared more effective and thus more recommendable than DS gel 6% alone or DS gel 6% combined to phonophoresis.

The rapid and wide proliferation of mobile phones has led to accelerated demand for mobile applications (apps). Consequently, a large number of mobile apps have been developed and deployed on the Google and Apple Play stores. Calling apps hold special importance in this regard by offering the services of sharing messages, making video calls, and sending audio messages, free of cost. Although each app has its own set of features, different apps can provide higher levels of satisfaction for the user, and aspect analysis is often overlooked by existing studies. This study presents an aspect-level analysis of IMO, Skype, Telegram, WeChat, and WhatsApp regarding the services offered for the account, app, call, message, update, video, and working features. A large collected dataset from the Google Play store is utilized for aspect extraction and analysis using the Latent Dirichlet Allocation (LDA) model. Apps are analyzed using LDA-extracted aspects and recommended regarding users’ priorities of call, message, and video requirements. Sentiment analysis is adopted to analyze user sentiments regarding apps as well as to aid in the aspect analysis. For sentiment analysis, a novel ensemble model of a gated recurrent unit and convolutional neural network is presented, which obtains a 94% accuracy score.

The purpose and novelty of our study include the scrutinization of the unsteady flow and heat characteristics of the unsteady Sutterby nano-fluid flow across an elongated cone using slip boundary conditions. The bioconvection of gyrotactic micro-organisms, Cattaneo–Christov, and thermal radiative fluxes with magnetic fields are significant physical aspects of the study. Anisotropic constraints on the cone surface are taken into account. The leading formulation is transmuted into ordinary differential formate via similarity functions. Five coupled equations with nonlinear terms are resolved numerically through the utilization of a MATLAB code for the Runge–Kutta procedure. The parameters of buoyancy ratio, the porosity of medium, and bioconvection Rayleigh number decrease x-direction velocity. The slip parameter retard y-direction velocity. The temperature for Sutterby fluids is at a hotter level, but its velocity is vividly slower compared to those of nanofluids. The temperature profile improves directly with thermophoresis, v-velocity slip, and random motion of nanoentities.

Buah tanaman wualae (bahasa Tolaki) atau Etlingera elatior digunakan oleh masyarakat Tolaki (Sulawesi Tenggara) sebagai bumbu masak dan obat tradisional. Untuk mengungkap potensi tersebut, khususnya buah wualae, dilakukan kajian fitokimia dan farmakologi buah wualae. Kajian fitokimia meliputi isolasi dan penentuan struktur dikerjakan dengan metode kromatografi (kromatografi vakum cair dan kromatografi radial) dan spektroskopi (1H dan 13C NMR). Kajian farmakologi meliputi uji aktivitas biologi terhadap enam jenis bakteri (Bacillus subtilis FNCC 0060, Escherichia coli ATCC 35218, Pseudomonas aeruginosa ATCC 27853, Salmonella enterica ATCC 14028, Staphylococcus aureus ATCC 25923, dan Streptococcus mutans ATCC 25175). Hasilnya menunjukkan tiga senyawa fenolik telah berhasil diisolasi dan diidentifikasi dari buah wualae yaitu asam vanilat (1), asam p-hidroksibenzoat (2), dan asam kumarat (3). Ketiga senyawa tersebut pertama kali dilaporkan berhasil diisolasi dari buah E. elatior. Aktivitas antibakteri ekstrak metanol buah wualae dan tiga senyawa hasil isolasi menunjukkan bahwa sampel tersebut paling aktif terhadap bakteri S. mutans. Dengan demikian aktivitas senyawa-senyawa hasil isolasi dari buah E. elatior berkorelasi dengan aktivitas ekstrak metanol buah E. elatior terhadap S. mutans, dimana senyawa paling aktif adalah asam vanilat. Ekstrak yang dominan mengandung asam vanilat dari tanaman ini dapat dikembangkan sebagai herbal antibakteri S. mutans seperti herbal karies gigi dan obat kumur. Kata kunci: Etlingera elatior, wualae, buah, senyawa aromatik, antibakteri. The fruits of wualae (Tolakinese) or Etlingera elatior is utilized by Tolakinese (Sulawesi Tenggara) as spices and traditional medicine. To reveal the potencies, a study on phytochemical and pharmacological aspects have been carried out. The phytochemical study includes isolation and structure determination used chromatography methods (vacuum liquid chromatography and radial chromatography) and spectroscopy methods (1H NMR and 13C NMR). Biological activity was evaluated against some bacteria that are Bacillus subtilis FNCC 0060, Escherichia coli ATCC 35218, Pseudomonas aeruginosa ATCC 27853, Salmonella enterica ATCC 14028, Staphylococcus aureus ATCC 25923, and Streptococcus mutans ATCC 25175). The results showed that three aromatic compounds had been isolated and identified that are vanillic acid (1), p-hydroxybenzoic acid (2) and coumaric acid (3). All compounds are firstly reported that successfully isolated from fruits of Wualae. Antibacterial potency indicated that the methanol extracts and the isolated compounds are the most active towards S. mutans and have good activity correlation between the extracts and the compounds. Vanillic acid is the most active compound from E. elatior fruits. Thus, the extracts contain dominantly vanillic acid from E. elatior fruits can be developed to be antibacterial herbals caused by S. mutans. Keywords: Etlingera elatior, wualae, fruits, aromatic compounds, antibacterial activity.

The two-dimensional boundary layer flow of a Prandtl nanofluid was explored in the presence of an aligned magnetic field over an inclined stretching/shrinking sheet in a non-Darcy permeable medium. To transform the PDEs of the leading equations into ODEs, a coupled boundary value problem was formed and suitable similarity functions were used. To obtain numerical answers, an efficient code for the Runge–Kutta technique with a shooting tool was constructed with a MATLAB script. This procedure is widely used for the solution of such problems as it is efficient and cost-effective with a fifth-order accuracy. The significance of immersed parameters on the velocity, temperature, concentration, and bioconvection is shown through figures. Furthermore, the physical parameters of the skin friction coefficient and the Nusselt numbers are demonstrated in tables. The declining behavior of the flow velocity against the porosity parameter Kp and the local inertia co-efficient Fr is shown, and the both parameters of the Darcy resistance and Darcy–Forchheimer resistance are responsible for slowing the fluid speed. The increasing values of the Schmidt number Sc decrease the concentration of the nano entities.

This study addresses thermal transportation associated with dissipated flow of a Maxwell Sutterby nanofluid caused by an elongating surface. The fluid passes across Darcy–Forchheimer sponge medium and it is affected by electromagnetic field applied along the normal surface. Appropriate similarity transforms are employed to convert the controlling partial differential equations into ordinary differential form, which are then resolved numerically with implementation of Runge–Kutta method and shooting approach. The computational analysis for physical insight is attempted for varying inputs of pertinent parameters. The output revealed that the velocity of fluid for shear thickening is slower than that of shear thinning. The fluid temperature increases directly with Eckert number, and parameters of Cattaneo–Christov diffusion, radiation, electric field, magnetic field, Brownian motion and thermophoresis. The Nusselt number explicitly elevated as the values of radiation and Hartmann number, as well as Brownian motion, improved. The nanoparticle volume fraction diminishes against Prandtl number and Lewis number.

This article investigates heat and mass transport enrichment in natural convection fractionalized nanofluid flow inside a channel with isothermal and ramped wall conditions under the effects of chemical reactions, radiation, heat absorption, and the Soret effect. To obtain the fractional model, the Caputo time-fractional derivative definition is used, and analytical results are obtained by the Laplace transform. In two base fluids, water and glycerin, the impacts of two nanoparticles, single-wall carbon nanotubes (SWCNTs) and multiple-wall carbon nanotubes (MWCNTs), are investigated. The comparison of six distinct fluids, including water, water–SWCNT, water–MWCNT, glycerin, glycerin–SWCNT and glycerin–WMCNT, is explored graphically. Physical parameters’ effects on isothermal and ramped conditions are graphically depicted and explained in depth. For isothermal wall conditions, the variation in concentration, temperature and velocity is exponential, while for ramped wall conditions, the variation is steady. Finally, the results of skin frictions, Nusselt numbers and Sherwood numbers and for both ramped wall and isothermal wall conditions are evaluated in tabular form for various values of volume fraction. Moreover, it is observed that the temperature, velocity, Nusselt numbers and skin frictions increase by increasing the volume fraction of CNTs.

Zeolitic imidazole framework 8 (ZIF-8) nanoparticles were successfully synthesized in an aqueous solution at the ambient condition with a relatively low molar ratio of zinc salt and an organic ligand, Zn+2/Hmim (1: 8). ZIF-8 has remarkable thermal and chemical stability, tunable microporous structure, and a great potential for absorption, adsorption, and separation. Various physicochemical characterization techniques like X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), attenuated total reflected infrared spectroscopy (ATR-IR), thermogravimetric analysis (TGA), and surface area with pore textural properties by micromeritics gas adsorption equipment were performed to investigate the effect of base type additive triethylamine (TEA) on the morphology, crystallinity, yield, particle and crystal size, thermal stability and microporosity of ZIF-8 nanoparticles. The total quantity of basic sites and carbon dioxide (CO2) desorption aptitude was also calculated using CO2 temperature-programmed desorption (CO2-TPD) system. The pure ZIF-8 nanoparticles of 177 nm were formed at TEA/total mole ratio of 0.002. Furthermore, the size of ZIF-8 nanoparticles was decreased to 77 nm with increasing TEA/total mole ratio up to 0.004. The structures, particle sizes and textural properties of ammonia modified ZIF-8 particle can easily be tailored by the amount of aqueous ammonium hydroxide solution. The smallest ZIF-8 nanoparticles obtained were 75 nm after ammonia modification which shows excellent thermal stability and improved microporosity. The ZIF-8 basicity and uptakes of CO2 improved with TEA and ammonia modification which followed the order: A25ml–Z4 > Z4 > Z3 > Z5 > Z2 > A50ml–Z4. The proposed economical and efficient synthesis method has great potential for large-scale production of ZIF-8. Keywords: Synthesis, Modification, Low molar ratio, High basicity, Desorption capacity

The present work describes the synthesis of new click products with a 2-mercapto-benzothiazole basic structure supporting the different functionalized side chains linked to the 1,2,3-triazole ring at position N-1 via Cu(I)-mediated click chemistry under both thermal and microwave irradiation (MWI). MWI led to higher yields in much less time than classical methods. The obtained click adducts were fully characterized using different spectroscopic experiments including IR, 1H NMR, 13C NMR and high-resolution mass spectrometry, and assessed for their anticancer activities. The maximum anticancer activities were found to be 90% of the compounds 5d and 5h with A549 and H-1229 lung cancer cell lines. The DNA binding constants of the most active compounds of 5d and 5h were 4.7 × 105 and 10.2 × 105 M−1, respectively; confirming the interactions with DNA. The anticancer mechanism was determined by the modeling studies with DNA and the binding energies of the compounds of 5d and 5h were −5.1 and −5.0 kcal mol−1; confirming the DNA binding experimental results. Finally, it was found that almost all the compounds showed good anticancer activities at 400 µg/mL concentration but the compounds 5d and 5h may be potentially anticancer candidates.

Due to their potential renewable materials-based tissue engineering scaffolds has gained more attention. Therefore, researchers are looking for new materials to be used as a scaffold. In this study, we have focused on the development of a nanocomposite scaffold for bone tissue engineering (using bacterial cellulose (BC) and β-glucan (β-G)) via free radical polymerization and freeze-drying technique. Hydroxyapatite nanoparticles (n-HAp) and graphene oxide (GO) were added as reinforcement materials. The structural changes, surface morphology, porosity, and mechanical properties were investigated through spectroscopic and analytical techniques like Fourier transformation infrared (FT-IR), scanning electron microscope (SEM), Brunauer–Emmett-Teller (BET), and universal testing machine Instron. The scaffolds showed remarkable stability, aqueous degradation, spongy morphology, porosity, and mechanical properties. Antibacterial activities were performed against gram -ive and gram + ive bacterial strains. The BgC-1.4 scaffold was found more antibacterial compared to BgC-1.3, BgC-1.2, and BgC-1.1. The cell culture and cytotoxicity were evaluated using the MC3T3-E1 cell line. More cell growth was observed onto BgC-1.4 due to its uniform interrelated pores distribution, surface roughness, better mechanical properties, considerable biochemical affinity towards cell adhesion, proliferation, and biocompatibility. These nanocomposite scaffolds can be potential biomaterials for fractured bones in orthopedic tissue engineering.

A measurement of the molecular topology of graphs is known as a topological index, and several physical and chemical properties such as heat formation, boiling point, vaporization, enthalpy, and entropy are used to characterize them. Graph theory is useful in evaluating the relationship between various topological indices of some graphs derived by applying certain graph operations. Graph operations play an important role in many applications of graph theory because many big graphs can be obtained from small graphs. Here, we discuss two graph operations, i.e., double graph and strong double graph. In this article, we will compute the topological indices such as geometric arithmetic index GA, atom bond connectivity index ABC, forgotten index F, inverse sum indeg index ISI, general inverse sum indeg index ISIα,β, first multiplicative-Zagreb index PM1 and second multiplicative-Zagreb index PM2, fifth geometric arithmetic index GA5, fourth atom bond connectivity index ABC4 of double graph, and strong double graph of Dutch Windmill graph D3p.

The rapid population growth and economic development have largely contributed to environmental pollution. Various advanced oxidation processes have been used as the most viable solution for the reduction of recalcitrant pollutants and wastewater treatment. Heterogeneous photocatalysis is one of the broadly used technologies for wastewater treatment among all advanced oxidation processes. Graphitic carbon nitride alone or in combination with various other semiconductor metal oxide materials acts as a competent visible light active photocatalyst for the removal of recalcitrant organic pollutants from wastewater. Rational designing of an environment-friendly photocatalyst through a facile synthetic approach encounters various challenges in photocatalytic technologies dealing with semiconductor metal oxides. Doping in g-C3N4 and subsequent coupling with metal oxides have shown remarkable enhancement in the photodegradation activity of g-C3N4-based nanocomposites owing to the modulation in g-C3N4 bandgap structuring and surface area. In the current study, a novel ternary Fe-doped g-C3N4/Ag2WO4 visible light active photocatalyst was fabricated through an ultrasonic-assisted facile hydrothermal method. Characterization analysis included SEM analysis, FTIR, XRD, XPS, and UV-Visible techniques to elucidate the morphology and chemical structuring of the as-prepared heterostructure. The bandgap energies were assessed using the Tauc plot. The ternary nanocomposite (Fe-CN-AW) showed increased photodegradation efficiency (97%) within 120 minutes, at optimal conditions of pH = 8, catalyst dose = 50 mg/100 ml, an initial RhB concentration of 10 ppm, and oxidant dose 5 mM under sunlight irradiation. The enhanced photodegradation of rhodamine B dye by ternary Fe-CN-AW was credited to multielectron transfer pathways due to insertion of a Fe dopant in graphitic carbon nitride and subsequent coupling with silver tungstate. The data were statistically assessed by the response surface methodology.

The most productive application of graph theory in chemistry is the representation of molecules by the graphs, where vertices and edges of graphs are the atoms and valence bonds between a pair of atoms, respectively. For a vertex w and an edge f=c1c2 of a connected graph G, the minimum number from distances of w with c1 and c2 is called the distance between w and f. If for every two distinct edges f1,f2∈EG, there always exists w1∈WE⊆VG such that df1,w1≠df2,w1, then WE is named as an edge metric generator. The minimum number of vertices in WE is known as the edge metric dimension of G. In this paper, we calculate the edge metric dimension of ortho-polyphenyl chain graph On, meta-polyphenyl chain graph Mn, and the linear [n]-tetracene graph Tn and also find the edge metric dimension of para-polyphenyl chain graph Ln. It has been proved that the edge metric dimension of On, Mn, and Tn is bounded, while Ln is unbounded.