Catalytic reduction of nitroarenes by palladium nanoparticles decorated silica@poly(chitosan-N-isopropylacrylamide-methacrylic acid) hybrid microgels.

Conversion of toxic nitroarenes into less toxic aryl amines, which are the most suitable precursors for different types of compounds, is done with various materials which are costly or take more time for this conversion. In this regards, a silica@poly(chitosan-N-isopropylacrylamide-methacrylic acid) Si@P(CS-NIPAM-MAA) Si@P(CNM) core-shell microgel system was synthesized through free radical precipitation polymerization (FRPP) and then fabricated with palladium nanoparticles (Pd NPs) by in situ-reduction method to form Si@Pd-P(CNM) and characterized with XRD, TEM, FTIR, SEM, and EDX. The catalytic efficiency of Si@Pd-P(CNM) hybrid microgels was studied for reduction of 4-nitroaniline (4NiA) under diverse conditions. Different nitroarenes were successfully transformed into their corresponding aryl amines with high yields using the Si@Pd-P(CNM) system as catalyst and NaBH4 as reductant. The Si@Pd-P(CNM) catalyst exhibited remarkable catalytic efficiency and recyclability as well as maintaining its catalytic effectiveness over multiple cycles.

New Pyrimidinone Bearing Aminomethylenes and Schiff Bases as Potent Antioxidant, Antibacterial, SARS-CoV-2, and COVID-19 Main Protease MPro Inhibitors: Design, Synthesis, Bioactivities, and Computational Studies.

New 2-thioxopyrimidinone derivatives (A1-A10) were synthesized in 87-96% yields via a simple three-component condensation reaction. These compounds were screened extensively through in vitro assays for antioxidant and antibacterial investigations. The DPPH assays resulted in the excellent potency of A6-A10 as antioxidants with IC50 values of 0.83 ± 0.125, 0.90 ± 0.77, 0.36 ± 0.063, 1.4 ± 0.07, and 1.18 ± 0.06 mg/mL, which were much better than 1.79 ± 0.045 mg/mL for the reference ascorbic acid. These compounds exhibited better antibacterial potency against Klebsiella with IC50 values of 2 ± 7, 1.32 ± 8.9, 1.19 ± 11, 1.1 ± 12, and 1.16 ± 11 mg/mL for A6-A10. High-throughput screenings (HTS) of these motifs were carried out including investigation of drug-like behaviors, physiochemical property evaluation, and structure-related studies involving DFT and metabolic transformation trends. The radical scavenging ability of the synthesized motifs was validated through molecular docking studies through ligand-protein binding against human inducible nitric oxide synthase (HINOS) PDB ID: 4NOS, and the results were promising. Furthermore, the antiviral capability of the compounds was examined by in silico studies using two viral proteins PDB ID: 6Y84 and PDB ID: 6LU7. Binding poses of ligands were discussed, and amino acids in the protein binding pockets were investigated, where the tested compounds showed much better binding affinities than the standard inhibitors, proving to be suitable leads for antiviral drug discovery. The stabilities of the molecular docked complexes in real systems were validated by molecular dynamics simulations.

A comprehensive review on crosslinked network systems of zinc oxide-organic polymer composites.

In recent years, the synergistic crosslinked networks formed by zinc oxide (ZnO) particles and organic polymers have gained significant attention. This importance is ascribed due to the valuable combination of low band gap containing ZnO particles with responsive behavior containing organic polymers. These properties of both ZnO and organic polymers make a suitable system of crosslinked ZnO-organic polymer composite (CZOPC) for various applications in the fields of biomedicine, catalysis, and environmental perspectives. The literature extensively provided the diverse morphologies and structures of CZOPC, and these architectural structures play a crucial role in determining their efficiency across various applications. Consequently, the careful design of CZOPC shapes tailored to specific purposes has become a focal point. This comprehensive review provides insights into the classifications, synthetic approaches, characterizations, and applications of ZnO particles decorated in organic polymers with crosslinked network. The exploration extends to the adsorption, environmental, catalytic, and biomedical applications of ZnO-organic polymer composites. Adopting a tutorial approach, the review systematically investigates and elucidates the applications of CZOPC with a comprehensive understanding of their diverse capabilities and uses.

A review on Ag nanoparticles fabricated in microgels.

In recent years, there has been growing interest in the composites of multi-responsive microgels and silver nanoparticles. This innovative hybrid system harnesses the responsive qualities of microgels while capitalizing on the optical and electronic attributes of silver nanoparticles. This combined system demonstrates a rapid response to minor changes in pH, temperature, ionic strength of the medium, and the concentration of specific biological substances. This review article presents an overview of the recent advancements in the synthesis, classification, characterization methods, and properties of microgels loaded with silver nanoparticles. Furthermore, it explores the diverse applications of these responsive microgels containing silver nanoparticles in catalysis, the biomedical field, nanotechnology, and the mitigation of harmful environmental pollutants.

Modeling cynicism and organizational design on job performance: Mediation and moderation mechanism.

Modern organizations assert that cynicism and organizational design provide advantages for knowledge-intensive settings. However, organizational crises may lead to resource shortages, prompting increased knowledge hiding (KH) among workers for competitive edge. Therefore, current study aims to examine the influence of organizational design and cynicism on job performance with organizational justice and KH through the moderating effect of servant leadership. Convenience sampling technique was used for data collection from 730 manufacturing organization employees via a survey questionnaire and data were analyzed with AMOS (28.0). Findings showed that KH's behavior negatively influenced by organizational design and positively influenced by cynicism. The current study also validates that higher management needs to practice advanced organizational justice to improve performance that drastically generates justice practices and reduces KH within the firms. Moreover, deploying servant leadership helps to control the cynicism, and employees start practicing knowledge-sharing behavior that significantly contributes to the performance.

Theoretical design of alkaline earthides M+(36 adz) Be- (M+ = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) with excellent nonlinear optical response and ultraviolet transparency.

A novel series of alkaline earthides containing eight complexes based upon 36adz complexant are designed by placing carefully transition metals (V-Zn) on inner side and alkaline earth metal outer side of the complexant i.e., M+(36adz) Be- (M+ = V, Cr, Mn, Fe, Co, Ni, Cu and Zn). All the designed compounds are electronically and thermodynamically stable as evaluated by their interaction energy and vertical ionization potential respectively. Moreover, the true nature of alkaline earthides is verified through NBOs and FMO study, showing negative charge and excess electrons on alkaline earth metal respectively. Furthermore, true alkaline earthides characteristics are evaluated graphically by spectra of partial density state (PDOS). The energy gap (HOMO -LUMO gap) is very small (ranging 2.95 eV-1.89 eV), when it is compared with pure cage 36adz HOMO-LUMO gap i.e., 8.50 eV. All the complexes show a very small value of transition energy ranging from 1.68eV to 0.89eV. Also, these possess higher hyper polarizability values up to 2.8 x 105au (for Co+(36adz) Be-). Furthermore, an increase in hyper polarizability was observed by applying external electric field on complexes. The remarkable increase of 100fold in hyper polarizability of Zn+(36adz) Be- complex is determined after application of external electric field i.e., from 1.7 x 104 au to 1.7 x 106 au when complex is subjected to external electric field of 0.001 au strength. So, when external electric field is applied on complexes it enhances the charge transfer, polarizability and hyper polarizability of complexes and proves to be effective for designing of true alkaline earthides with remarkable NLO response.

An SNP based genotyping assay for genes associated with drought tolerance in bread wheat.

BACKGROUND: SnRK2 plays vital role in responding to adverse abiotic stimuli. The applicability of TaSnRK2.4 and TaSnRK2.9 was investigated to leverage the potential of these genes in indigenous wheat breeding programs. METHODS: Genetic diversity was assessed using pre-existing markers for TaSnRK2.4 and TaSnRK2.9. Furthermore, new markers were also developed to enhance their broader applicability. KASP markers were designed for TaSnRK2.4, while CAPS-based markers were tailored for TaSnRK2.9. RESULTS: Analysis revealed lack of polymorphism in TaSnRK2.4 among Pakistani wheat germplasm under study. To validate this finding, available gel-based markers for TaSnRK2.4 were employed, producing consistent results and offering limited potential for application in marker-assisted wheat breeding with Pakistani wheat material. For TaSnRK2.9-5A, CAPS2.9-5A-1 and CAPS2.9-5A-2 markers were designed to target SNP positions at 308 nt and 1700 nt revealing four distinct haplotypes. Association analysis highlighted the significance of Hap-5A-1 of TaSnRK2.9-5A, which exhibited association with an increased number of productive tillers (NPT), grains per spike (GPS), and reduced plant height (PH) under well-watered (WW) conditions. Moreover, it showed positive influence on NPT under WW conditions, GPS under water-limited (WL) conditions, and PH under both WW and WL conditions. High selection intensity observed for Hap-5A-1 underscores the valuable role it has played in Pakistani wheat breeding programs. Gene expression studies of TaSnRK2.9-5A revealed the involvement of this gene in response to PEG, NaCl, low temperature and ABA treatments. CONCLUSION: These findings propose that TaSnRK2.9 can be effectively employed for improving wheat through marker-assisted selection in wheat breeding efforts.

Proceeding of catalytic water splitting on Cu/Ce@g-C3N4 photocatalysts: an exceptional approach for sunlight-driven hydrogen generation.

Increasing energy demands and environmental problems require carbon-free and renewable energy generation systems. For this purpose, we have synthesized efficient photocatalysts (i.e., g-C3N4, Cu@g-C3N4, Ce@g-C3N4 and Cu/Ce@g-C3N4) for H2 evolution from water splitting. Their optical, structural and electrochemical properties were investigated by UV-Vis-DRS, PL, XRD, FTIR, Raman and EIS methods. Their surface morphologies were evaluated by AFM and SEM analyses. Their chemical characteristics, compositions and stability were assessed using XPS, EDX and TGA techniques. Photoreactions were performed in a quartz reactor (150 mL/Velp-UK), whereas hydrogen generation activities were monitored using a GC-TCD (Shimadzu-2014/Japan). The results depicted that Cu/Ce@g-C3N4 catalysts are the most active catalysts that deliver 23.94 mmol g-1 h-1 of H2. The higher rate of H2 evolution was attributed to the active synergism between Ce and Cu metals and the impact of surface plasmon electrons (SPEs) of Cu that were produced during the photoreaction. The rate of H2 production was optimized by controlling various factors, including the catalyst amount, light intensity, pH, and temperature of the reaction mixture. It has been concluded that the current study holds promise to replace the conventional and costly catalysts used for hydrogen generation technologies.

Green synthesis of tellurium-doped SnO2 nanoparticles with sulfurized g-C3 N4 : Insights into methylene blue photodegradation and antibacterial capability.

The construction of SnO2 nanoparticles (NPs), specifically Te-doped SnO2 NPs, using a simple and economical co-precipitation technique has been thoroughly described in this work. NH3 served as the reducing agent in this procedure, whilst polyethylene glycol served as the capping agent. The primary goals of our work were to investigate the physicochemical properties of the synthesized SnO2 NPs and assess their potential use as antibacterial agents and photocatalysts. Scanning electron microscopy-energy dispersive X-ray, ultraviolet light, Fourier transform infrared spectroscopy, X-ray diffraction (XRD), and other analytical techniques were used to thoroughly analyze the NPs. Based on the full width at half maximum of the most noticeable peaks in the XRD spectrum, the Debye-Scherrer equation was used to calculate the crystallite sizes, which indicated the presence of a single tetragonal SnO2 phase. Particularly noteworthy was the exceptional photocatalytic activity of graphene-assisted Te-doped SnO2 NPs, achieving an impressive decomposition efficiency of up to 98% in the photo-oxidation of methylene blue. Furthermore, our investigation delved into the antibacterial attributes of the synthesized SnO2 NPs against Escherichia coli and Staphylococcus aureus, demonstrating inhibitory effects on both bacteria strains. This suggests potential applications for these NPs in various environmental and medical contexts.

Spatial Cluster Change of Schistosoma japonicum Transmission Foci in Indonesia During the Schistosomiasis Elimination Program.

PURPOSE: The Government of Indonesia committed to eliminating schistosomiasis by 2025. Collaboratively snail control became one of the crucial strategies to ensure that the prevalence of Schistosoma japonicum in Oncomelania hupensis lindoensis reaches zero by the end of the program. This research investigated the spatial cluster change of S. japonicum transmission foci in Indonesia between 2017 and 2021. METHODS: We mapped the snail foci, collected the snails, and calculated the snail density. We also conducted laboratory tests to detect the existence of cercariae in the snails. Identified infected snails were used to calculate the infection rate (IR) or snails' prevalence of schistosome cercariae among freshwater snails. We then analysed the spatial cluster using the Getis-Ord Gi* statistic to identify the hot and cold spots. RESULTS: The 5-year schistosomiasis elimination program successfully declined 18.84% of the snail foci and reduced 40.37% of the infected snail foci. Local spatial autocorrelation of snail density and infection rate identified that in 2017 and 2021, the number of cold spots decreased by 53.91% and 0%, while hot spots increased by 2.63% and 56.1%. The presence of more hot spots suggests a rise in the number of foci with high snail density and infection rates. The implementation of snail control was not optimal, and the parasite transmission through domestic animals still existed, causing the spatial cluster of hot spots to change during this period. Most hotspots have been observed near settlements, primarily in cocoa plantations, developed and deserted rice fields, grassland, and bush wetlands. CONCLUSION: During the schistosomiasis elimination program, the number of hot spots increased while cold spots decreased, and there were notable changes in the geographical distribution of hot spots, indicating a shift in the clustering pattern of schistosomiasis cases. The findings become essential for policymakers, particularly in selecting priority areas for intervention. In the Discussion section, we demonstrated the selection process based on the existence of hot and cold spots. Furthermore, we proposed that enhancing cross-sector integration is crucial, particularly in connection with the management of S. japonicum transmission through domestic animals.

Investigating the role of smart technologies, financial, and environmental innovations in tackling the ecological sustainability: a global pathway toward low carbon energy transition.

Since the beginning of the twenty-first century, the rapid development of modern technologies has brought unprecedented social prosperity to mankind as technologies penetrate every sector of the economy. These technologies have given a new dimension to the energy sector. The key purpose of this study is to investigate the crucial impact of technological revolutions, namely, smart grids, smart devices, financial innovations, and environmental innovations, on greenhouse gas emissions (GHGs). To this end, the study utilized data from European, Asian, Middle Eastern, and African countries and employed first- and second-generation methods, such as DOLS, FMOLS, and CS-ARDL models. The research shows that smart grids are the only factor in reducing GHGs, regardless of geographic division. Hence, linking smart grid resources to climate change goals requires short-term deployment strategies with a clear long-term vision and the fundamental goal of transforming the power structure into a net zero-emission system. The study also demonstrates that the emergence of ICT in electricity consumption has not yet reached a level that can promote environmental excellence. The study documented the critical role of financial innovation and environmental innovation in addressing environmental degradation.

CRISPR-Cas9 based molecular breeding in crop plants: a review.

Traditional crop breeding techniques are not quickly boosting yields to fulfill the expanding population needs. Long crop lifespans hinder the ability of plant breeding to develop superior crop varieties. Due to the arduous crossing, selecting, and challenging processes, it can take decades to establish new varieties with desired agronomic traits. Develop new plant varieties instantly to reduce hunger and improve food security. As a result of the adoption of conventional agricultural techniques, crop genetic diversity has decreased over time. Several traditional and molecular techniques, such as genetic selection, mutant breeding, somaclonal variation, genome-wide association studies, and others, have improved agronomic traits associated with agricultural plant productivity, quality, and resistance to biotic and abiotic stresses. In addition, modern genome editing approaches based on programmable nucleases, CRISPR, and Cas9 proteins have escorted an exciting new era of plant breeding. Plant breeders and scientists worldwide rely on cutting-edge techniques like quick breeding, genome editing tools, and high-throughput phenotyping to boost crop breeding output. This review compiles discoveries in numerous areas of crop breeding, such as using genome editing tools to accelerate the breeding process and create yearly crop generations with the desired features, to describe the shift from conventional to modern plant breeding techniques.

The key to sustainability: In-depth investigation of environmental quality in G20 countries through the lens of renewable energy, economic complexity and geopolitical risk resilience.

The world is currently facing urgent climate and environmental issues, such as global warming, ecosystem collapse, and energy shortages. In this context, this study selected data from 2000 to 2021 and employed the Method of Moment Quantile Regression (MMQR) to thoroughly investigate the impact of renewable energy consumption, economic complexity, and geopolitical risks on the ecological footprint of the Group of Twenty (G20) countries. The results indicate that in countries with lower quantiles, renewable energy consumption significantly reduces the ecological footprint, whereas its effect is not prominent in countries with higher quantiles. Economic complexity has a negative impact on the ecological footprint, and this impact becomes stronger as the quantile of the ecological footprint rises. Additionally, economic complexity moderates the effect of renewable energy on the ecological footprint. Geopolitical risks facilitate the growth of the ecological footprint. Likewise, robustness tests such as DOLS, FMOLS, and quantile regression confirm these estimates in the same framework. This study has conducted a profound analysis of global environmental issues, offering innovative perspectives and recommendations for achieving goals related to sustainable energy utilization, mitigating climate change, and improving the ecological environment. The findings of this research will guide policymakers in G20 countries to adopt more effective environmental protection measures, thereby contributing to the construction of a sustainable future.

Green synthesis of ZnO nanocubes from Ceropegia omissa H. Huber extract for photocatalytic degradation of bisphenol An under visible light to mitigate water pollution.

Plastic pollution has become a major environmental problem because it does not break down and poses risks to ecosystems and human health. This study focuses on the environmentally friendly synthesis of ZnO nanocubes using an extract from Ceropegia omissa H. Huber plant leaves. The primary goal is to investigate the viability of these nanocubes as visible-light photocatalysts for the degradation of bisphenol A (BPA). The synthesized ZnO nanocubes have a highly crystalline structure and a bandgap of 3.1 eV, making them suitable for effective visible-light photocatalysis. FTIR analysis, which demonstrates that the pertinent functional groups are present, demonstrates the chemical bonding and reducing processes that take place in the plant extract. The XPS method also studies zinc metals, oxygen valencies, and binding energies. Under visible light irradiation, ZnO nanocubes degrade BPA by 86% in 30 min. This plant-extract-based green synthesis method provides a long-term replacement for traditional procedures, and visible light photocatalysis has advantages over ultraviolet light. The study's results show that ZnO nanocubes may be good for the environment and can work well as visible light photocatalysts to break down organic pollutants. This adds to what is known about using nanoparticles to clean up the environment. As a result, this study highlights the potential of using environmentally friendly ZnO nanocubes as a long-lasting and efficient method of reducing organic pollutant contamination in aquatic environments.

Recent Development of Electrolytes for Aqueous Organic Redox Flow Batteries (Aorfbs): Current Status, Challenges, and Prospects.

In recent years, aqueous organic redox flow batteries (AORFBs) have attracted considerable attention due to advancements in grid-level energy storage capacity research. These batteries offer remarkable benefits, including outstanding capacity retention, excellent cell performance, high energy density, and cost-effectiveness. The organic electrolytes in AORFBs exhibit adjustable redox potentials and tunable solubilities in water. Previously, various types of organic electrolytes, such as quinones, organometallic complexes, viologens, redox-active polymers, and organic salts, were extensively investigated for their electrochemical performance and stability. This study presents an overview of recently published novel organic electrolytes for AORFBs in acidic, alkaline, and neutral environments. Furthermore, it delves into the current status, challenges, and prospects of AORFBs, highlighting different strategies to overcome these challenges, with special emphasis placed on their design, composition, functionalities, and cost. A brief techno-economic analysis of various aqueous RFBs is also outlined, considering their potential scalability and integration with renewable energy systems.

Serious Adverse Events of Inclisiran in Patients With Hypercholesterolemia, a Meta-Analysis of ORION Trials.

BACKGROUND: Several studies have been conducted over the years to find an effective and safe therapeutic agent to treat hypercholesterolemia. Inclisiran is a novel drug being studied for its efficacy and safety in reducing low-density lipoprotein cholesterol levels in patients to reduce the risk of cardiovascular diseases. No previous study was done to review the trials for the serious adverse events of this drug. The primary objective of this research is to investigate the incidence of serious adverse events of this drug. DESIGN: A systematic review and meta-analysis of clinical trials is performed. METHODS: A systematic search of PubMed, Embase, and ClinicalTrials.gov, from their inception till July 3, 2023, was performed for ORION trials, studying the efficacy and safety of inclisiran. The random-effects model was used in the meta-analysis to provide a pooled proportion of serious adverse events. The risk of bias in each study was assessed by the Cochrane Risk of Bias Tool. RESULTS: From 319 studies searched from the databases, only 8 relevant articles remained after a detailed evaluation. These studies, having a total of 4981 patients, were involved in the analysis, with a pooled estimate showing a nonsignificant incidence of serious adverse events. Each adverse event was studied individually, and product issues and endocrine disorders had the highest odds ratio among them. All included studies were classified as moderate quality. CONCLUSION: Following systematic review and meta-analysis, we found no significant differences in any serious adverse events following the administration of inclisiran. However, larger ongoing trials will provide additional data to evaluate the safety profile of this agent.

Benign-by-design plant extract-mediated preparation of copper oxide nanoparticles for environmentally related applications.

A facile, cost-competitive, scalable and novel synthetic approach is used to prepare copper oxide (CuO) nanoparticles (NPs) using Betel leaf (Piper betle) extracts as reducing, capping, and stabilizing agents. CuO-NPs were characterized using various analytical techniques, including Fourier-transform infrared (FTIR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), as well as photoluminescence (PL) measurements. The activity of CuO-NPs was investigated towards Congo red dye degradation, supercapacitor energy storage and antibacterial activity. A maximum of 89% photodegradation of Congo red dye (CR) was obtained. The nanoparticle modified electrode also exhibited a specific capacitance (Csp) of 179 Fg-1. Furthermore, the antibacterial potential of CuO NPs was evaluated against Bacillus subtilis and Pseudomonas aeruginosa, both strains displaying high antibacterial performance.

The use of artificial intelligence and deep learning reconstruction in urological computed tomography: Dose reduction at ghost level.

Objective: The objective of the study is to demonstrate that with the use of artificial intelligence (AI) in computed tomography (CT), radiation doses of CT kidney-ureter-bladder (KUB) and CT urogram (CTU) can be reduced to less than that of X-ray KUB and CT KUB, respectively, while maintaining the good image quality. Materials and Methods: We reviewed all CT KUBs (n = 121) performed in September 2019 and all CTUs (n = 74) performed in December 2019 at our institution. The dose length product (DLP) of all CT KUBs and each individual phase of CTU were recorded. DLP of each scan done with new scanner (Canon Aquilion One Genesis with AiCE [CAOG]) which uses AI and deep learning reconstruction (DLR) were compared against traditional non-AI scanner (GE OPTIMA 660 [GEO-660]). We also compared DLPs of both scanners against the United Kingdom, National Diagnostic Reference Levels (NDRL) for CT. Results: One hundred and twenty-one patient's CT KUBs and 74 patient's CTUs were reviewed. For CT KUB group, the mean DLP of 81/121 scans done using AI/DLR scanner (CAOG) was 77.8 mGy cm (1.16 mSv), while the mean DLP of 40/121 CT KUB done with GEO-660 was 317.1 mGy cm (4.75 mSv). For CTU group, the mean DLP for 46/74 scans done using AI/DLR scanner (CAOG) was 401.9 mGy cm (6 mSv), compared to mean DLP of 1352.6 mGy cm (20.2 mSv) from GEO-660. Conclusion: We propose that CT scanners using AI/DLR method have the potential of reducing radiation doses of CT KUB and CTU to such an extent that it heralds the extinction of plain film XR KUB for follow-up of urinary tract stones. To the best of our knowledge, this is the first study comparing CT KUB and CTU doses from new scanners utilizing AI/DLR technology with traditional scanners using hybrid iterative reconstruction technology. Moreover, we have shown that this technology can markedly reduce the cumulative radiation burden in all urological patients undergoing CT examinations, whether this is CT KUB or CTU.

Metric and fault-tolerant metric dimension for GeSbTe superlattice chemical structure.

The concept of metric dimension has many applications, including optimizing sensor placement in networks and identifying influential persons in social networks, which aids in effective resource allocation and focused interventions; finding the source of a spread in an arrangement; canonically labeling graphs; and inserting typical information in low-dimensional Euclidean spaces. In a graph G, the set S⊆V(G) of minimum vertices from which all other verticescan be uniquely determined by the distances to the vertices in S is called the resolving set. The cardinality of the resolving set is called the metric dimension. The set S is called fault-tolerant resolving set if S\{v} is still a resolving set of G. The minimum cardinality of such a set S is called fault-tolerant metric dimension of G. GeSbTe super lattice is the latest chemical compound to have electronic material that is capable of non-volatile storing phase change memories with minimum energy usage. In this work, we calculate the resolving set (fault tolerant resolving set) to find the metric dimension(fault-tolerant metric dimension) for the molecular structure of the GeSbTe lattice. The results may be useful in comparing network structure and categorizing the structure of the GeSbTe lattice.

Predictive ability of physiochemical properties of benzene derivatives using Ve-degree of end vertices-based entropy.

Topological indices relate chemical structure to chemical reactivity, physical properties, and biological activity. Quantitative structure-activity relationships (QSPR) are mathematical models proposed for the correlation of various types of chemical reactivity, biological activity, and physical properties with topological indices/entropies. In this article, we have proposed the QSPR between the ve-degree of end vertices of edge based entropies and the physiochemical properties of benzene derivatives. We have designed a Maple-based algorithm for the computation of entropies. The relationship was analyzed using SPSS. We have shown that the physiochemical properties such as critical pressure, Henry's law, critical temperature, Gibb's energy, logP, critical volume, and molar refractivity can be predicted by entropies. All the results were highly positive and significant. The Randic, Balaban, and redefined third Zagreb entropies showed the best relations with physiochemical properties.Communicated by Ramaswamy H. Sarma.