A series of previously conducted experiments pertaining to various chemicals and drugs uncover a natural linkage between the molecular structures and the bio-medical and pharmacological characteristics. The forgotten topological index computed for the molecular structures of various chemical compounds and drugs has proven significant in medical and pharmaceutical fields by predicting biological features of new chemical compounds and drugs. A topological index can be considered as the transformation of chemical structure into a real number. Dendrimers are highly-branched star-shaped macromolecules with nanometer-scale dimensions. Dendrimers are defined by three components: a central core, an interior dendritic structure (the branches), and an exterior surface with functional surface groups. In this paper, we determine forgotten topological indices of poly(propyl) ether imine, porphyrin, and zinc-porphyrin dendrimers.
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http://dx.doi.org/10.3390/molecules22060867 | DOI Listing |
J Mol Graph Model
March 2025
School of Mathematics and Statistics, Gansu Center for Applied Mathematics, Lanzhou University, Lanzhou 73000, China. Electronic address:
Porphyrazine and tetrakis porphyrazine are examples of organic compounds with complicated structures of rings. Physicists and chemical researchers have been interested in these structures because of their highly conjugated systems, which lead to peculiar optical and electrical characteristics. These structures are the fundamental components of molecular electronics, sensors, functional materials, and catalysis, among other scientific fields.
View Article and Find Full Text PDFSci Rep
November 2024
Research Center of Performance and Productivity Analysis, Istinye University, Istanbul, Turkey.
Sci Rep
October 2024
Department of Mathematics, Addis Ababa University, Addis Ababa, Ethiopia.
This work uses rational curve fitting models to investigate the complex link between topological indices and entropy metrics in calcium hydroxide networks. Entropy measurements shed light on the complexity and disorder of these networks, whereas topological indices are essential instruments for comprehending the structural characteristics of chemical substances. Our goal is to find new patterns and connections by merging these two fields, improving materials science's prediction capacity.
View Article and Find Full Text PDFComb Chem High Throughput Screen
October 2024
Department of Mathematics, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
Background: The number of atoms producing a bond with an atom a in a molecular structure (graph) is regarded as the valency of a. A number of molecular structures have been topologically characterized via a large number of valency-based topological indices, which correlate certain physio-chemical properties like boiling point, stability, strain energy, and many more chemical compounds.
Objective: Our intention is to perform the topological characterization of primitive coronoid structures initially on the base of seven different valency-based topological indices.
Heliyon
August 2024
Department of Mathematics, Sinop University, 57000, Sinop, Turkey.
Topological indices are numerical parameters that indicate the topology of graphs or hypergraphs. A hypergraph consists of a vertex set and an edge set , where each edge is a subset of with at least two elements. In this paper, our main aim is to introduce a general hypergraph structure for the prime ideal sum (PIS)- graph of a commutative ring.
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