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The triangular γ-graphyne structure is highlighted in particular, as it is a new configuration with possible applications in medicine. We shed light on this structure’s special qualities and potential uses in healthcare by computing several topological indices linked to it through computational research. Furthermore, we use Shannon’s entropy measure to express the information content of the connection-based topological indices in tandem. This method offers a thorough comprehension of the intricate features and structural properties of the triangular γ-graphyne structure. A logarithmic regression model is built to establish a quantifiable relationship between the computed indices and entropy. The SPSS program was used in the development of this model, allowing for a thorough examination of the relationship between structural features and informational entropy. A regression model based on triangular graphyne topological indices is used as a predictive tool for entropy estimation. [ABSTRACT FROM AUTHOR]

In the evolving field of solar energy, precise forecasting of Solar Irradiance (SI) stands as a pivotal challenge for the optimization of photovoltaic (PV) systems. Addressing the inadequacies in current forecasting techniques, we introduced advanced machine learning models, namely the Rectified Linear Unit Activation with Adaptive Moment Estimation Neural Network (RELAD-ANN) and the Linear Support Vector Machine with Individual Parameter Features (LSIPF). These models broke new ground by striking an unprecedented balance between computational efficiency and predictive accuracy, specifically engineered to overcome common pitfalls such as overfitting and data inconsistency. The RELAD-ANN model, with its multi-layer architecture, sets a new standard in detecting the nuanced dynamics between SI and meteorological variables. By integrating sophisticated regression methods like Support Vector Regression (SVR) and Lightweight Gradient Boosting Machines (Light GBM), our results illuminated the intricate relationship between SI and its influencing factors, marking a novel contribution to the domain of solar energy forecasting. With an R2 of 0.935, MAE of 8.20, and MAPE of 3.48%, the model outshone other models, signifying its potential for accurate and reliable SI forecasting, when compared with existing models like Multi-Layer Perceptron, Long Short-Term Memory (LSTM), Multilayer-LSTM, Gated Recurrent Unit, and 1-dimensional Convolutional Neural Network, while the LSIPF model showed limitations in its predictive ability. Light GBM emerged as a robust approach in evaluating environmental influences on SI, outperforming the SVR model. Our findings contributed significantly to the optimization of solar energy systems and could be applied globally, offering a promising direction for renewable energy management and real-time forecasting. [ABSTRACT FROM AUTHOR]

Let R be a commutative ring with 1. A zero-divisor graph Λ(R) is an undirected graph on the vertex set R −{0} such that any two nonzero elements p,q ∈ R are adjacent whenever p ⋅ q = 0. The concept of entropy measure is fundamental and has been the subject of interest in various fields. The purpose of this paper is to calculate the entropy measure of Λ(R) for various rings. We take into consideration the ring ℤh for h = φψ,φ2ψ,φ2ψ2,φψχ, where φ,ψ and χ are distinct prime numbers. Moreover, we also discussed the entropy measure of the zero-divisor graph for the rings ℤφ × ℤψ, ℤφ × ℤψ × ℤχ, ℤφψ × ℤχ, and ℤφ2 × ℤψ2. This study will help us further understand the algebraic structure of the commutative rings. [ABSTRACT FROM AUTHOR]

The crystalline material that is greenish-white and dissolves in water is iron chloride. It is utilized in sewage treatment, dyeing, and medicine. Graph entropy plays a significant role in measuring the complexity of atoms, molecules, and structures in nature. It has specific chemical applications in biology, neuroscience, and chemistry. A compound's molecular structure consists of many atoms. Particularly, hydrocarbons are a chemical combination of hydrogen and carbon atoms. In this article, we discuss the entropy of the chemical structure Iron (II) Chloride. Additionally, we discuss the idea of degree-based indices and compute the Shannon entropy(ENT) using these indices. The linear regression(LR) of various indices and entropies for iron chloride, FeCl2, is also discussed. Also, we link the degree-based indices and entropies via line fit. [ABSTRACT FROM AUTHOR]

Several graph features have been used to distinguish the construction of entropy-based measurements from the structure of chemical graphs and complicated networks. The graph entropy metric has piqued the interest of scientists due to its possible applicability in a variety of domains. In this paper, we look at the chemical graph of silicon–carbon SiC3-I and the crystallographic structure of silicon–carbon SiC3-II. This two-dimensional structure has the potential to revolutionize optoelectronic and electrical technologies as a direct wide band gap semiconducting material. More intriguingly, the semiconducting SiC3 sheet has a significant visible-light adsorption ability. SiC3 nanosheets have a wide range of electrical characteristics, making them ideal for nano-electronics and photo-voltaic. This advantageous molecular structure, silicon carbon, is examined. More preciously in this paper, we have computed the entropy measures for SiC3-I and SiC3-II based on the topologies indices. Some comparison work is offered in addition to the analytical analysis of the entropy measure of silicon–carbon. Bases on these numerical tables and corresponding graphs we conclude that as entropy measures are the better predicator than the topological indices of physio-chemical properties. [ABSTRACT FROM AUTHOR]

The second-most significant category of colorants is phthalocyanines, and copper phthalocyanine is the single colorant with the highest sales volume. Phthalocyanine colorants have historically been used as blue and green pigments for printing inks and automobile paints as well as blue/cyan dyes for textiles and paper. To determine how complex the underlying graph was, we employed Shannon's information entropy. Certain degree-based entropies derived from topological indices were estimated. Curve fitting between calculated information entropies and Heat of formation was combined with the numerical and graphical representation of computed results. The Fe Phthalocyanine is based on topological indices, which give a comprehensive picture of potentially significant aspects that could be useful in structurally changing (FePc) for particular applications. [ABSTRACT FROM AUTHOR]

Benzene is aromatic organic compound having six membered ring. Molecular studies provide evidence of presence of three alternative double bond providing exceptional stability to the molecule. Being basic unit of organic chemicals, benzene is widely used in pharmaceuticals, rubber, pesticides, dyes, lubricants, explosives and additives. Benzene derivatives are used in production of dyes, deodorants, pesticides, organic solvents, dispersants, plasticizers, and drugs. Keeping in view the extensive applications of benzene derivatives, we made use of QSPR analysis for predicting the multiple chemical and physical properties of organic compounds. By using SPSS software, correlation between newly introduced entropies and the Physico-chemical properties of benzene derivatives is examined. Our acquired consequences demonstrated that two physical properties of chemical structures, ie Boiling Point and enthalpy can be best predicted from the fifth ND entropy, and the other two properties namely Pie-electron Energy and molecular weight predicted from the neighborhood version of redefined first Zagreb entropy and neighborhood version of redefined second Zagreb entropy, respectively. [ABSTRACT FROM AUTHOR]

Chemical Graph entropy plays a significant role to measure the complexity of chemical structures. It has explicit chemical uses in chemistry, biology, and information sciences. A molecular structure of a compound consists of many atoms. Especially, the hydrocarbons is a chemical compound that consists of carbon and hydrogen atoms. In this article, we discussed the concept of subdivision of chemical graphs and their corresponding line chemical graphs. More preciously, we discuss the properties of chemical graph entropies and then constructed the chemical structures namely triangular benzenoid, hexagonal parallelogram, and zigzag edge coronoid fused with starphene. Also, we estimated the degree-based entropies with the help of line graphs of the subdivision of above mentioned chemical graphs. [ABSTRACT FROM AUTHOR]

Due to its high chemical and thermal stability, tri-s-triazine (g − C 3 N 4) is a potential nanomaterial used in water purification and catalysis. Tri-s-triazine is released into the environment as a contaminant since it is occasionally utilized as a precursor or byproduct in industrial processes. Based on its chemical structure, we compute the new Zagreb-type indices to learn more about its connection and bonding patterns. We may construct the entropy measure using these indices to assess the material's stability and forecast its behavior under various circumstances. We establish mathematical links between the Zagreb-type indices and entropy by performing logarithmic regression, which helps optimize its use in particular applications. Also, we use the Pearson correlation coefficient. [Display omitted] Tri-s-triazine is released into the environment as a contaminant since it is occasionally utilized as a precursor or byproduct in industrial processes. Based on its chemical structure, we compute the new Zagreb-type indices to learn more about its connection and bonding patterns. We may construct the entropy measure using these indices to assess the material's stability and forecast its behavior under various circumstances. We establish mathematical links between the Zagreb-type indices and entropy by performing logarithmic regression, which helps optimize its use in particular applications. Also, we use the Pearson correlation coefficient. [ABSTRACT FROM AUTHOR]

In 2009, T. Mansour, M. Schork, introduce the concept of bridge graphs. A bridge graph B(G1, G2, ... , Gm) = B(G1, G2, ... , Gm; v1, v2, ... , vm) of with respect to the vertices is the graph obtained from the graphs G1; G2; ... ; Gm by connecting the vertices vi and vi+1 by an edge for all I = 1; 2; ... ; m-1. In this paper, we determine hyper-Zagreb index, first multiple Zagreb index, second multiple Zagreb index, Zagreb polynomials and M-polynomial for nano structures of bridge graphs. [ABSTRACT FROM AUTHOR]

Nickel sulfides are inorganic compounds of chalcogens and transition metals with formula of NiS x , where nickel is from 10 th group and sulfur is from 16 th group of periodic table. Topological indices play a key role in analyzing and understanding the topology of chemical compounds. In the chemical structure of any compound, atoms are considered as vertices, while the bounds between these atoms are edges. The purpose of this paper is to analyses the structure of nickel (II) sulfide. Moreover, we have computed the topological indices of molecular structure of nickel (II) sulfide. The regression models between the standard molar free Gibb's energy, specific heat and each topological index of nickel (II) sulfide for different formula units have been developed. The basic purpose of these regression models is to develop a relationship between free Gibb's energy G E , specific heat C p and topological indices of nickel (II) sulfide. More preciously, we provided a new direction in this field of research to analysis the physio-chemical properties like Gibb's energy using the concept of chemical graph theory. [ABSTRACT FROM AUTHOR]

Cubic Zirconia (CZ) has emerged as a critical material with diverse applications, ranging from high-performance ceramics to electronic devices. Designing CZ-based systems with improved functions necessitates a thorough understanding of its topological characteristics. The topological co-indices are numerical descriptors that offer important details about the local atomic configurations and connectivity inside the CZ lattice. In this study, we present a methodical approach to compute and assess the distribution of these co-indices throughout the CZ network using advanced computational approaches. The distribution patterns of topological co-indices inside the CZ network are significantly better understood as a result of our statistical investigation. The basic knowledge of the topological properties of the CZ network and how they relate to physical properties is improved by this study. Cubic Zirconia (CZ) has emerged as a critical material with diverse applications, ranging from high-performance ceramics to electronic devices. The outcomes revealed a relationship between the topological characteristics of the network and its mechanical, thermal, and electrical characteristics. [ABSTRACT FROM AUTHOR]

Scientists are inventing new materials, for example, a carbon nanotube-based composite created by NASA that bends when a voltage is connected. A carbon nanotube-based material belong to a significant and an extensively investigated compounds in chemical science. It has been derived through engineering mechanism at the molecular scale. The most important of these new materials are carbon nanotubes. They have remarkable electronic properties and many other unique characteristics. Carbon nanosheets are 2-dimensional lattices of carbon nanotubes. To compute and study topological indices of nanostructures is a respected problem in nanotechnology. Topological indices are vital devices for investigating chemical compounds to comprehend the fundamental topology of chemical structures. Ev-degree and ve-degree based topological indices are two novel degrees based indices as of late defined in graph theory. Ev-degree and ve-degree based topological indices have been defined as corresponding to their relating partners. In this paper, we have computed topological indices based on ev-degree and ve-degree for the nanosheet T3[p,q] of H-Naphtalenic nanotube whose cylindrical layer has joinery of C4, C6 and C8 appear alternatively following a trivalent adornment. [ABSTRACT FROM AUTHOR]

A zero-sum flow is an assignment of nonzero integers to the edges such that the sum of the values of all edges incident with each vertex is zero, and we call it a zero-sum k-ow if the absolute values of edges are less than k. We define the zero-sum ow number of G as the least integer k for which G admitting a zero sum k-ow. In this paper we gave complete zero-sum ow and zero sum numbers for categorical and strong product of two graphs namely cycle and paths. [ABSTRACT FROM AUTHOR]

Topological co-indices are topological files that think about the non-touching arrangements of vertices. Here, we think about the going with some notable topological co-indices. The mathematical qualities of atomic designs, called topological co-indices, which are utilized for the quantitative depiction of the structure of different networks are inspected. The strategy for topological co-indices is broken down as one of the methodologies for deciding the connection between the shape of a substance compounds and their properties. Theory of Chemical Graphs is a branch of graph theory that provides a wealth of possibilities for the scientist. Mathematical chemistry combines graph theory with science, relying on molecular graphs, which include vertices that represent molecules atoms and edges that represent molecules bonds. By using chart fundamental examination and allowance, we study the recently referenced topological co-indices of some engineered nuclear diagrams that as regularly as conceivable appear in clinical, manufactured, and material planning. In this paper, we examine the two sort of David Networks and gain the computation formulae of the co-indices of these organizations. Plus, we examine the results by MATLAB and gain the relationship of the co-indices which they depict the physcio-substance properties. [ABSTRACT FROM AUTHOR]

Due to its metal-free and visible-light responsive nature, as well as attractive electrical band structure and excellent physicochemical stability, graphitic carbon nitride has become a new multidisciplinary research hot point. In the field of environmental remediation and energy applications, this interesting semiconductor conjugated polymer is regarded as a viable material for capturing clean and unlimited solar energy. We Used information entropy introduced by Shannon to measure the complexity of the underlying graph. Configuration entropy of glass-forming liquids or thermodynamic entropy of enzyme-substrate complexations are examples of thermodynamic entropy used in molecular dynamics investigations on complex chemical systems. In this article, we computed some degree-based entropies calculated from topological indices. The numerical and graphical depiction of computed results was combined with curve fitting between calculated information entropies and topological indices. The underlying framework is built on topological indices, which provide a full picture of potentially important features that could be beneficial in structural modification of (g- C 3 N 4 ) for certain applications. [ABSTRACT FROM AUTHOR]

In the era of 2019 the most dangerous disease that have affected more than 200 countries is Covid-19 (i.e. corona virus disease 2019) spread by the virus (i.e. novel coronavirus) which is transmitted from susceptible person to survivors in his surroundings. Such an epidemicity occurs first time in the world and number of cases are in excess of normal expectancy for the different areas that's why it is not easy to overcome this pandemic circumstances immediately. However, it is a challenge to develop anti-virus drugs for the suspected patients at global level. The scientists are interested in detailed experiments on Chloroquine (CQ) and Hydroxychloroquine (HCQ) as one of the unique substance used in the manufacturing for an anti virus drugs. For instance the Hydroxychloroquine conjugated molecular structure became an interesting chemical by the scientist. The significance of both substances can be examine by the number of publications which are leading us to introduce an effective treatment. In this paper, we are interested to discussed physcio-chemical properties of Hydroxychloroquine structure and computational work for the specific topological descriptors named as the F-co-index, first Zagreb co-index and first multiplicative Zagreb co-index, second Zagreb co-index and second multiplicative Zagreb co-index. [ABSTRACT FROM AUTHOR]

In medical sciences, the molecular structure is discussed under the consideration of the topological index, and related biological, pharmaceutical, medical and chemical properties of various drugs are examined by computing topological indices. Many scientific experiments are ongoing for the medication of COVID‐19 by using redeliver. In this paper, our objective is to calculate the degree‐based temperature indices and their respective temperature entropies for the molecular graph of remdesivir R. In this study, we derived some degree‐based temperature descriptors. Also, we computed temperature entropies of molecular structure by constructing the relation of degree‐based temperature descriptors with the help of specific information functions. Moreover, we analyzed and provided a graphical comparison of the calculated outcomes. These computed results maybe lead to the discovery of more effective drugs and modified vaccines for the overcome with COVID‐19. [ABSTRACT FROM AUTHOR]

In this paper, we discuss the degree based topological properties of the novel planar metal-organic networks TM – TCNB. Interestingly, the TM – TCNB systems are metallic in any event in one turn heading and show long-run ferromagnetic coupling on the off chance that for attractive structures, which speak to perfect applicants and a fascinating possibility of uncommon applications in spintronics. Chemical graph theory plays an important role in modeling and designing any chemical structure. The topological indices are the numerical invariants of a molecular graph and are very useful for predicting their physical properties. We have computed the degree based topological indices for this metal-organic networks TM – TCNB. [ABSTRACT FROM AUTHOR]

Corona virus cause diseases ranging from the common cold to Severe Acute Respiratory Syndrome (SARS). Several therapeutic agents have been evaluated for the treatment of Covid-19, but none have yet been shown to be efficacious. Remdesivir Gilead Sciences number (GS-5734), an inhibitor of the viral RNA-dependent, RNA polymerase with inhibitory activity against SARS-CoV and the Middle East respiratory syndrome (MERS-CoV), was identified early as a promising therapeutic candidate for Covid-19 because of its ability to inhibit SARS-CoV-2 invitro. Knowledge about the potential efficacy of Remdesivir against corona viruses has been restricted to in vitro studies and animal models. However, information related to COVID-19 is rapidly growing. Several clinical trials are ongoing for the management of COVID-19 using Remdesivir. Efficacy of Remdesivir (GS-5734) against Ebola virus has been demonstrated. In the field of Medical Science, concerning the definition of the topological index on the molecular structure and corresponding medical, biological, chemical, pharmaceutical properties of drugs can be studied by the topological index calculation. In this paper, we compute some reverse topological indices namely, the reverse general Randic index, the reverse atom bond connectivity index, the reverse geometric arithmetic index, the reverse forgotten index, the reverse Balaban index and the reverse Zagreb type indices. [ABSTRACT FROM AUTHOR]

Atherosclerosis, the primary mechanism underlying the development of many cardiovascular illnesses, continues to be one of the leading causes of mortality worldwide. Platelet (PLT), which are essential for maintaining body homeostasis, have been strongly linked to the onset of atherosclerosis at various stages due to their inherent tendency to bind to atherosclerotic lesions and show an affinity for plaques. Therefore, mimicking PLT's innate adhesive features may be necessary to effectively target plaques. PLT-derived nanocarriers have emerged as a promising biomimetic targeting strategy for treating atherosclerosis due to their numerous advantages. These advantages include excellent biocompatibility, minimal macrophage phagocytosis, prolonged circulation time, targeting capability for impaired vascular sites, and suitability as carriers for anti-atherosclerotic drugs. Herein, we discuss the role of PLT in atherogenesis and propose the design of nanocarriers based on PLT-membrane coating and PLT-derived vesicles. These nanocarriers can target multiple biological elements relevant to plaque development. The review also emphasizes the current challenges and future research directions for the effective utilization of PLT-derived nanocarriers in treating atherosclerosis. [Display omitted] • Role of platelet in atherogenesis. • Mimicking platelet innate adhesive features that are necessary to effectively target plaques. • Synthesis of platelet membrane-coated nanoparticles and their application in atheroscelrosis. • Synthesis of platelet-derived nanovesicles and their application in atheroscelrosis. • Current challenges and future research directions for the effective use of platelet-derived nanocarriers for atherosclerosis. [ABSTRACT FROM AUTHOR]

The current work applies L9 (33) Orthogonal Array (OA) of Taguchi design to obtain an optimum combination of nature of fuel, speed of engine, and load for DI- CI diesel engine that is alternatively fueled with waste cooking oil (WCO) based pure biodiesel (B100) & 20% blend of biodiesel with neat diesel (B20) with an objective to achieve maximum reduction in smoke and NOx emissions and to enhance the output parameters like engine's heat release, cylinder pressure and brake power with the conceivable dwindling of brake specific fuel consumption of the engine at various load conditions. The optimal input parameters (nature of fuel as B100, speed as 2300 rpm and load as 100%) were specified by the grey relational analysis in such a way that the preferred output results are successfully accomplished. Furthermore, analysis of variance (ANOVA) technique showed that the nature of fuel is the major leading factor with 44.28% impact on the output parameters. The experimental and ANN simulated results at the predicted optimal combination ensured the significant improvements of output response factors, thus validating the use of Grey-Taguchi method in reducing emissions and improving combustion and performance simultaneously. [ABSTRACT FROM AUTHOR]

A variety of dendrimers exist, and each has biological properties such as polyvalency, selfassembling, electrostatic interactions, chemical stability, low cytotoxicity, and solubility. These varied characteristics make dendrimers a good choice in the medical field and pharmaceuticals. A topological index is actually designed by transforming a molecular structure into a numeric number. These topological indices correlate certain physicochemical properties like boiling point, stability, strain energy etc of chemical compounds. It is reported that these indices are useful in the study of anti-in ammatory activities, anticancer therapies and diagnostic imaging of certain chemical networks. In this paper, we determine hyper Zagreb index, first multiple Zagreb index, Second multiple Zagreb index, Zagreb polynomials for nanostar dendrimers, Benzenoid and phenylenes. [ABSTRACT FROM AUTHOR]

A simple graph G(V, E) admits a H-covering, if every edge in E(G) belongs to a subgraph of G isomorphic to H. The graph G is said to be H-magic, if there exists a bijection ψ: V(G) ∪ E(G) → {1, 2, 3, ... ,|V(G)|+|E(G)|} such that for every subgraph H¢ of G isomorphic to is constant. Moreover G is said to be H-super magic, if ψ (V(G)) = {1, 2, 3, ... ,|V(G)|}. In this paper, we study the cycle-super magic labeling of a pumpkin graph and two classes of planar maps containing 8-sided and 4-sided faces or 6-sided and 4-sided faces, respectively. [ABSTRACT FROM AUTHOR]