VDB Analysis for Zeolites LTA Structures

A distinct number used to characterize a molecular graph's chemical structure and significant chemical properties is a topological index. Quite a number of Vertex degree-based (VDB) indices have been introduced to investigate the structure of molecular compounds. Zeolites are a widely used family of aluminosilicates that have applications in chemistry, medicine, and commercial production due to their advantageous chemical properties. To aid in their creation, computer simulations have found millions of possible specific structures for zeolites. However, only a small percentage of these structures have been created. To aid in this discovery process, we extend the literature by computing the analytical expressions of VDB indices, VDB entropy measures, and VDB irregularity indices.

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Topological study of the para-line graphs of certain pentacene via topological indices

Open Chemistry ◽

10.1515/chem-2018-0126 ◽

2018 ◽

Vol 16 (1) ◽

pp. 1200-1206 ◽

Cited By ~ 1

Author(s):

Zeeshan Saleem Mufti ◽

Muhammad Faisal Nadeem ◽

Wei Gao ◽

Zaheer Ahmad

Keyword(s):

Molecular Structure ◽

Real Number ◽

Chemical Structure ◽

Topological Index ◽

Line Graph ◽

Chemical Properties ◽

Topological Indices ◽

Molecular Structures ◽

Line Graphs ◽

Graph Invariant

AbstractA topological index is a map from molecular structure to a real number. It is a graph invariant and also used to describe the physio-chemical properties of the molecular structures of certain compounds. In this paper, we have investigated a chemical structure of pentacene. Our paper reflects the work on the following indices:Rα, Mα, χα, ABC, GA, ABC4, GA5, PM1, PM2, M1(G, p)and M1(G, p) of the para-line graph of linear [n]-pentacene and multiple pentacene.

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Chemical structure and physico-chemical properties of agar

Hydrobiologia ◽

10.1007/bf00028370 ◽

1991 ◽

Vol 221 (1) ◽

pp. 137-148 ◽

Cited By ~ 137

Author(s):

Marc Lahaye ◽

Cyrille Rochas

Keyword(s):

Chemical Structure ◽

Chemical Properties ◽

Physico Chemical

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Synthesis of Mesoscale, Crumpled, Reduced Graphene Oxide Roses by Water-in-Oil Emulsion Approach

10.26434/chemrxiv.5940799.v1 ◽

2018 ◽

Author(s):

Shruti Sharma ◽

Viet Hung Pham ◽

Jorge A. Boscoboinik ◽

Fernando Camino ◽

James H. Dickerson ◽

...

Keyword(s):

Graphene Oxide ◽

Chemical Structure ◽

Chemical Properties ◽

Particle Sizes ◽

Oil Emulsion ◽

Corrugated Surfaces ◽

Reduced Graphene ◽

Water In Oil Emulsion ◽

Crumpled Graphene ◽

And Chemical Properties

<p>Mesoscale crumpled graphene oxide roses (GO roses) were synthesized by using colloidal graphene oxide (GO) variants as precursors for a hybrid emulsification/rapid evaporation approach. This process produced rose-like, spherical, reduced mesostructures of colloidal graphene oxide, with corrugated surfaces and particle sizes ranging from ~800 nm to 15 μm. The morphology and chemical structure of these produced GO roses was investigated using electron microscopy and spectroscopy techniques. The proposed synthesis route provides control over particle size, morphology and chemical properties of the synthesized GO roses.</p>

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A Computational Approach on Acetaminophen Drug using Degree-Based Topological Indices and M-Polynomials

Biointerface Research in Applied Chemistry ◽

10.33263/briac126.72497266 ◽

2021 ◽

Vol 12 (6) ◽

pp. 7249-7266

Keyword(s):

Biological Activity ◽

Physicochemical Properties ◽

Chemical Structure ◽

Topological Index ◽

Chemical Reactivity ◽

Chemical Compounds ◽

Computational Approach ◽

Topological Indices ◽

Numerical Representation ◽

Essential Drug

Topological index is a numerical representation of a chemical structure. Based on these indices, physicochemical properties, thermodynamic behavior, chemical reactivity, and biological activity of chemical compounds are calculated. Acetaminophen is an essential drug to prevent/treat various types of viral fever, including malaria, flu, dengue, SARS, and even COVID-19. This paper computes the sum and multiplicative version of various topological indices such as General Zagreb, General Randić, General OGA, AG, ISI, SDD, Forgotten indices M-polynomials of Acetaminophen. To the best of our knowledge, for the Acetaminophen drugs, these indices have not been computed previously.

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M-Polynomials and Associated Topological Indices of Sodalite Materials

Mathematical Problems in Engineering ◽

10.1155/2021/5924409 ◽

2021 ◽

Vol 2021 ◽

pp. 1-10

Author(s):

Ghazanfar Abbas ◽

Muhammad Ibrahim ◽

Ali Ahmad ◽

Muhammad Azeem ◽

Kashif Elahi

Keyword(s):

Greenhouse Gases ◽

Topological Index ◽

Low Cost ◽

Chemical Properties ◽

Topological Indices ◽

Mathematical Tool ◽

Physical And Chemical Properties ◽

Natural Zeolites ◽

Physical And Chemical ◽

And Chemical Properties

Natural zeolites are commonly described as macromolecular sieves. Zeolite networks are very trendy chemical networks due to their low-cost implementation. Sodalite network is one of the most studied types of zeolite networks. It helps in the removal of greenhouse gases. To study this rich network, we use an authentic mathematical tool known as M-polynomials of the topological index and show some physical and chemical properties in numerical form, and to understand the structure deeply, we compare different legitimate M-polynomials of topological indices, concluding in the form of graphical comparisons.

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Chemical structure and physical-chemical properties of mucilage from the leaves of Pereskia aculeata

Food Hydrocolloids ◽

10.1016/j.foodhyd.2017.03.020 ◽

2017 ◽

Vol 70 ◽

pp. 20-28 ◽

Cited By ~ 22

Author(s):

Andressa Amado Martin ◽

Rilton Alves de Freitas ◽

Guilherme Lanzi Sassaki ◽

Paulo Henrique Labiak Evangelista ◽

Maria Rita Sierakowski

Keyword(s):

Chemical Structure ◽

Chemical Properties ◽

Physical Chemical

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Analysis of oxidation degree of graphite oxide and chemical structure of corresponding reduced graphite oxide by selecting different-sized original graphite

RSC Advances ◽

10.1039/c8ra01486h ◽

2018 ◽

Vol 8 (31) ◽

pp. 17209-17217 ◽

Cited By ~ 24

Author(s):

Lu Shen ◽

Lihua Zhang ◽

Kui Wang ◽

Lijing Miao ◽

Qiaofeng Lan ◽

...

Keyword(s):

Graphite Oxide ◽

Chemical Structure ◽

Chemical Properties ◽

Thermal Reduction ◽

Physical And Chemical Properties ◽

Oxidation Degree ◽

Reduced Graphite Oxide ◽

Physical And Chemical ◽

And Chemical Properties

The thermal reduction of GO is the most commonly used strategy for preparation of rGO, and the oxidation degree of GO would influence the chemical structure of prepared rGO, thereby affecting its physical and chemical properties.

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Topological properties of Graphene using some novel neighborhood degree-based topological indices

International Journal of Mathematics for Industry ◽

10.1142/s2661335219500060 ◽

2019 ◽

Vol 11 (01) ◽

pp. 1950006 ◽

Cited By ~ 2

Author(s):

Sourav Mondal ◽

Nilanjan De ◽

Anita Pal

Keyword(s):

Real Number ◽

Chemical Structure ◽

Topological Index ◽

Line Graph ◽

Topological Indices ◽

Index Formula ◽

Topological Properties ◽

Zagreb Index ◽

Physiochemical Properties ◽

Second Zagreb Index

Topological indices are numeric quantities that transform chemical structure to real number. Topological indices are used in QSAR/QSPR studies to correlate the bioactivity and physiochemical properties of molecule. In this paper, some newly designed neighborhood degree-based topological indices named as neighborhood Zagreb index ([Formula: see text]), neighborhood version of Forgotten topological index ([Formula: see text]), modified neighborhood version of Forgotten topological index ([Formula: see text]), neighborhood version of second Zagreb index ([Formula: see text]) and neighborhood version of hyper Zagreb index ([Formula: see text]) are obtained for Graphene and line graph of Graphene using subdivision idea. In addition, these indices are compared graphically with respect to their response for Graphene and line graph of subdivision of Graphene.

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Predicting biological effect as a function of the chemical structure and the primary physical and chemical properties of organic compounds.

Environmental Health Perspectives ◽

10.1289/ehp.761327 ◽

1976 ◽

Vol 13 ◽

pp. 27-30 ◽

Cited By ~ 1

Author(s):

N G Andreyeshcheva

Keyword(s):

Organic Compounds ◽

Biological Effect ◽

Chemical Structure ◽

Chemical Properties ◽

Physical And Chemical Properties ◽

Physical And Chemical ◽

And Chemical Properties

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Reformulated Zagreb Indices of Some Derived Graphs

Mathematics ◽

10.3390/math7040366 ◽

2019 ◽

Vol 7 (4) ◽

pp. 366 ◽

Cited By ~ 6

Author(s):

Jia-Bao Liu ◽

Bahadur Ali ◽

Muhammad Aslam Malik ◽

Hafiz Muhammad Afzal Siddiqui ◽

Muhammad Imran

Keyword(s):

Physical Properties ◽

Chemical Structure ◽

Topological Index ◽

Chemical Reactivity ◽

Line Graph ◽

Total Graph ◽

Zagreb Indices ◽

Subdivision Graph ◽

Chemical Constitution ◽

Vertex Degrees

A topological index is a numeric quantity that is closely related to the chemical constitution to establish the correlation of its chemical structure with chemical reactivity or physical properties. Miličević reformulated the original Zagreb indices in 2004, replacing vertex degrees by edge degrees. In this paper, we established the expressions for the reformulated Zagreb indices of some derived graphs such as a complement, line graph, subdivision graph, edge-semitotal graph, vertex-semitotal graph, total graph, and paraline graph of a graph.

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