Browsing by Author "Siddiqui, Muhammad Kamran"

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Computing Forgotten Topological Index of Extremal Cactus Chains
(Walter de Gruyter Gmbh, 2021) Cancan, Murat; Imran, Muhammad; Akhter, Shehnaz; Siddiqui, Muhammad Kamran; Hanif, Muhammad Farhan
The F-index is the whole of 3D squares of vertex degrees in a chart G. It as of late turned into the subject of a few investigates because of its extraordinary capability of uses. The point of this paper is to register the F-record of triangular prickly plant chain, square desert flora chains, 6-sided cactus restraints and polyomino restraints. In addition, we decided the extremal chains in the desert plant chains and polyomino fastens as for the F-index.
A Degree Based Topological Study of Two Carbon Nanosheets Vc5c7 and Hc5c7
(Taylor & Francis Ltd, 2022) Ishtiaq, Muhammad; Rauf, Abdul; Rubbab, Qammar; Siddiqui, Muhammad Kamran; Ata-ur-Rehman; Cancan, Murat
Nanomaterials are chemical compounds or substances which are moderately produced and used. Nanomaterials are engineered to reveal novel properties of nanocells that contrast with related non-visible substances, such as expanded consistency, conductivity or synthetic reaction. Topological indexes are quantities related to molecules that capture the harmony of molecular structures and give scientifically related properties, such as: viscosity, boiling point, radius of gravity, and so on. Their demands in genetics, chemistry, physics and nanoscience are infinite. The molecular topology of such compounds would be clarify by the quantitative structure properties relationship (QSPR) and quantitative structure activity relationship (QSAR). Two carbon nanosheet structures such as VC5C7 and HC5C7 have been discussed in this article. We also computed ev-degree and vedegree based topological indices of these structures.
Degree-Based Topological Aspects of Polyphenylene Nanostructures
(Taylor & Francis Ltd, 2022) Chu, Yu-Ming; Numan, Muhammad; Butt, Saad Ihsan; Siddiqui, Muhammad Kamran; Ullah, Rizwan; Cancan, Murat; Ali, Usman
In a molecular graph, molecules are associated with some numerical values these values are known as topological indices. From the M-polynomial of molecular structure we can derived degree based topological indices. We can derived chemical and physical properties of chemical compound from the topological indices. To find the strain energy, melting point, boiling point, distortion and stability of chemical compound usually mathematician used topological indices. Moreover topological indices also make relation between biological activities of compound with physical properties. In this paper, we determined the M-polynomials of the structure of the molecules of polyphenylene nanotube and nanotori. Then we derived some closed formulas for well-known topological indices, first Zagreb index, second Zagreb index, second Modified Zagreb index mM(2)(G) general Randic index, Symmetric division index, Harmonic index, inverse sum index for polyphenylene nanotube structure of molecules.
On Analysis of Temperature Based Topological Indices of Some Covid-19 Drugs
(Taylor & Francis Ltd, 2023) Zhang, Yang; Khalid, Asma; Siddiqui, Muhammad Kamran; Rehman, Haider; Ishtiaq, Muhammad; Cancan, Murat
A variety of graphical invariants have been described and tested, offering lots of applications in the fields of nanochemistry, computational networks and in different scientific research areas. One commonly studied group of invariants is the topological index, which allows to research the chemical, biological, and physical properties of a chemical structure. Topological indexes are numerical quantities that can be used to describe the properties of the molecular graph. In this article, we draw from the analytically closed formulas of certain molecular structures of coronavirus such as Ribavirin, Sofosbuvir and Oseltamivir by calculating temperature based topological indices.
On Analysis of Thermodynamic Properties of Cuboctahedral Bi-Metallic Structure
(Walter de Gruyter Gmbh, 2021) Siddiqui, Muhammad Kamran; Chu, Yu-Ming; Nasir, Muhammad; Cancan, Murat
Porous materials, for example, metalnatural structures (MOFs) and their discrete partners metalnatural polyhedra (MOPs), that are built from coordinatively unsaturated inorganic hubs show incredible potential for application in gas adsorption/partition cycles, catalysis, and arising openings in hardware, optics, detecting, and biotechnology. A well-known hetero-bimetallic metalorganic polyhedra of this discrete partners metalnatural polyhedra (MOPs) class is cuboctahedral bi-metallic stricture. In this paper, we discuss the stricture of Hetero-bimetallic metalorganic polyhedra (cuboctahedral bi-metallic). Also, we computed the topological indices based on the degree of atoms in this cuboctahedral bi-metallic structure.
On Analysis of Topological Co-Indices for Triangular Benzenoids and Starphene Nanotubes
(Taylor & Francis Ltd, 2023) Zhao, Weidong; Siddiqui, Muhammad Kamran; Kirmani, Syed Ajaz K.; Hussain, Nazir; Ullah, Hameed; Cancan, Murat
A chemical graph is a molecular complex that significantly explains the molecular structres. In this way atoms are identified by vertices and that are connected by lines known as edges of graph. Triangular benzenoids and starphene nanotubes are an inorganic compound with trigonal crystal system. We have computed the degree-based topological co-indices of triangular benzenoids and starphene nanotubes, that are successfully linked with its thermodynamic properties.
On Characterization of Physical Properties for Terbium (Iv) Oxide System Via Curve Fitting Models
(Elsevier, 2023) Chen, Jiawei; Siddiqui, Muhammad Kamran; Hussain, Mazhar; Hussain, Nazir; Eldin, Sayed M.; Cancan, Murat
The main objective of this study is to explore Terbium (IV) oxide through the use of its chemical graph. Theegree-based topological reverse indices of Terbium (IV) oxide have been related to thermodynamic assets such as heat of formation and entropy. We investigate the chemical compound Terbium (IV) oxide using its respective chemical graph and analyse its structural characteristics and physical properties using topological reverse indices by developing unique mathematical models.
On Computation of Entropy Measures and Their Statistical Analysis for Complex Benzene Systems
(Taylor & Francis Ltd, 2023) Wang, Xiaojiao; Hanif, Muhammad Farhan; Mahmood, Hasan; Manzoor, Shazia; Siddiqui, Muhammad Kamran; Cancan, Murat
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.
On Degree Based Topological Co-Indices of Graphite Carbon Nitride
(Taylor & Francis Ltd, 2022) Huang, Rongbing; Muhammad, Mehwish Hussain; Siddiqui, Muhammad Kamran; Nasir, Muhammad; Cancan, Murat
Topological coindices are topological indices that considers the non-contiguous sets of vertices. By utilizing graph basic investigation and deduction, we study the previously mentioned topological coindices of some synthetic atomic graphs that as often as possible show up in clinical, synthetic, and material designing, for example, Graphite Carbon Nitride GC(3)N(4)[n] and acquire the calculation formulae of the coindices of Graphite Carbon Nitride GC(3)N(4)[n]. Besides, we investigate the outcomes by MATLAB and acquire the relationship of the coindices which they portray the physcio-substance properties.
On Degree Based Topological Indices of Transition Metal-Tetra Cyano Polycyclic Benzene Organic Network
(Taylor & Francis Ltd, 2022) Zhao, Weidong; Nadeem, Muhammad Faisal; Cancan, Murat; Siddiqui, Muhammad Kamran; Ali, Kashif; Siddiqui, Hafiz Muhammad Afzal; Kanwal, Salma
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.
On Eccentricity-Based Entropy Measures for Dendrimers
(Elsevier Sci Ltd, 2021) Huang, Rongbing; Siddiqui, Muhammad Kamran; Manzoor, Shazia; Ahmad, Sarfraz; Cancan, Murat
The eccentricity-based entropy inspired by Shannon's entropy approach is the information-theoretic quantity to figure out the structural information of complex networks. The investigation for advance biomedical utilization of dendrimers has improved the synthesis of radical based molecules. Categorically, attaining radical dendrimers has initiated their use in different fields such as anti-tumor agents and as magnetic resonance imaging. The use of radical dendrimers has increased the possibility of establishing new kinds of devices based on paramagnetic axioms of organic radicals. In this article, we discussed dendrimer based on cyclotriphosphazene (N3P3) which has balanced edge groups and these are examined by EPR temperature spectrum. Firstly, we computed eccentricity-based indices and then we computed eccentricity based entropies by developing an acquaintance between these indices and their entropies. Moreover we presented our computed result numerically and graphically which leads to good importance of our contribution.
On Entropy Measures for Crystallographic Structure of Silicon-Carbon Networks
(Taylor & Francis Ltd, 2024) Liqiong, Pan; Hanif, Muhammad Farhan; Mahmood, Hasan; Siddiqui, Muhammad Kamran; Manzoor, Shazia; Cancan, Murat
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.
On Physical Analysis of Topological Co-Indices for Beryllium Oxide Via Curve Fitting Models
(Elsevier, 2023) Yang, Jun; Siddiqui, Muhammad Kamran; Bashir, Amina; Manzoor, Shazia; Eldin, Sayed M.; Cancan, Murat
Graph invariants are employed within the sciences of statistics, pattern recognition, computational ge-ometry, biochemistry, and specifically chemicals to evaluate and construct data warehouses as well as chemical structures. It is fascinating to see how numerous global features that have been established and developed within the paradigm of computational geometry present themselves in sophisticated con-nections. We examine the chemical graph of the crystal lattice of beryllium oxide (BeO) in this article. Topological co-indices are crucial tools for investigations since they serve as molecular descriptors. More-over, by connecting degree-based topological co-indices like, the first and second Zagreb co-indices, the atom bond connectivity co-index, the geometric arithmetic co-index, the forgotten co-index, the Balaban co-index, the augmented co-index, etc. We can determine how much heat of formation was required to build these structures BeO by analysing the curve fitting methods for heat of formation.(c) 2023 Elsevier B.V. All rights reserved.
On Reverse Degree Based Topological Indices of Polycyclic Metal Organic Network
(Taylor & Francis Ltd, 2022) Zhao, Dongming; Chu, Yu-Ming; Siddiqui, Muhammad Kamran; Ali, Kashif; Nasir, Muhammad; Younas, Muhammad Tayyab; Cancan, Murat
In this article we discuss the reverse degree based topological indices for planar metal-organic networks like transition metal (TM) of the threedimensional series such as: Ti, V, Cr, ..., or Zn, phthalocyanine, and tetracyanobenzene (TCNB) as free-standing sheets. In distinction, the TM-TCNB networks are metallic at least in one revolutionary orientation and demonstrate long-range ferromagnetic connect in case for magnetic erection, which illustrate ideal entrant and a stimulating prospect of unequaled applications in spintronics. Topological indices are numerical variables of a graph which describe its topology and are usually graph invariant. We have computed the reverse degree based topological indices like the reverse general Randic index, the reverse Balaban index, the reverse atom bond connectivity index, the reverse geometric index, the reverse Zagreb type indices, and the reverse augmented Zagreb index for this metalorganic networks TM-TCNB.
On Topological Indices and Qspr Analysis of Drugs Used for the Treatment of Breast Cancer
(Taylor & Francis Ltd, 2022) Bokhary, Syed Ahtsham Ul Haq; Adnan; Siddiqui, Muhammad Kamran; Cancan, Murat
A topological index of graph G is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds then it reflects the theoretical properties of the chemical compounds. In this article, well-known degree based topological indices are applied on chemical structures of medicine used for treatment of breast cancer. Chemical structure is considered as graph, where elements are taken as vertices and bounds between them are taken as edges. Further, QSPR analysis of said topological indices are discussed and it is shown that these topological indices are highly correlated with the physical properties of chemical compounds used for the treatment of breast cancer.
On Topological Indices of Remdesivir Compound Used in Treatment of Corona Virus (Covid 19)
(Taylor & Francis Ltd, 2022) Wei, Jianxin; Cancan, Murat; Rehman, Atiq Ur; Siddiqui, Muhammad Kamran; Nasir, Muhammad; Younas, Muhammad Tayyab; Hanif, Muhammad Farhan
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.
The Sharp Bounds of Zagreb Indices on Connected Graphs
(Element, 2021) Chu, Yu-Ming; Shafiq, Muhammad Kashif; Imran, Muhammad; Siddiqui, Muhammad Kamran; Siddiqui, Hafiz Muhammad Afzal; Baby, Shakila; Cancan, Murat
The analysis of a structure is based on its configuration. The common means available for this purpose is the use of graph products. The rooted product is specially revelent for trees. Chemical application of graph theory predicts different properties like physico-chemical properties, thermodynamics properties, chemical activity, biological activity, etc. Certain graph invariants known as topological indices are used for characterization of these properties. These indices have a promising role in chemical sciences and QSAR/QSPR studies. In this paper the lower and upper bounds of Zagreb indices, multiple Zagreb indices and F-index for rooted product of F-sum on connected graphs are determined.
Topological Indices and Qspr Modeling of New Antiviral Drugs for Cancer Treatment
(Taylor & Francis Ltd, 2023) Huang, Lei; Wang, Yong; Pattabiraman, K.; Danesh, P.; Siddiqui, Muhammad Kamran; Cancan, Murat
The threat of developing a cancer therapy has been there for the past two to three decades. Almost 10 million people worldwide are affected by this illness each year. Anticancer medications are those that are used to treat cancer, a malignant condition. These anticancer medications come in a variety of types, such as hormones, antimetabolites, and alkalizing agents. Numerous studies demonstrate a close relationship between the chemical structure of anticancer drugs and alkane characteristics including boiling, melting, and enthalpy. Some antiviral medications that are thought to hold promise for the treatment of cancer are examined in the planned research. For the chemical graphs of these medications, ST-polynomials based on status distance are computed. Numerous topological indices (TI) that depend on the status distance may be constructed by applying these polynomials. Additionally, the TIs are used in the creation of the QSPR models to estimate some of the physicochemical characteristics of these medications. Curve fitting is used to produce the QSPR research.
Topological Study of Carbon Nanotube and Polycyclic Aromatic Nanostar Molecular Structures
(Taylor & Francis Ltd, 2022) Luo Guangyu; Hussain, Sajjad; Khalid, Asma; Ishtiaq, Muhammad; Siddiqui, Muhammad Kamran; Cancan, Murat; Imran, Muhammad
Nanomaterials are chemical compounds or substances which are moderately produced and used. Nanomaterials are engineered to reveal novel properties of nanocells that contrast with related non-visible substances, such as expanded consistency, conductivity or synthetic reaction. Topological indexes are quantities related to molecules that capture the harmony of molecular structures and give scientifically related properties, such as: viscosity, boiling point, radius of gravity, and so on. Their demands in genetics, chemistry, physics and nanoscience are infinite. The molecular topology of such compounds would be clarify by the quantitative structure properties relationship (QSPR) and quantitative structure activity relationship (QSAR). Two carbon nanosheet structures such as TC4C8(s)and dentritic nanostar have been discussed in this article, We have computed topological indices of these structures such as the first and the second K-Banhatti types indices and their variants.