scholarly journals Characterization of Extremal Unicyclic Graphs Using F-Coindex

Complexity ◽  
2021 ◽  
Vol 2021 ◽  
pp. 1-9 ◽  
Author(s):  
Muhammad Imran ◽  
Yasir Ali ◽  
Zainab Bibi ◽  
Muhammad Saad Ghafar
Keyword(s):  
Topological Index ◽  
Special Property ◽  
Chemical Compounds ◽  
Biological Properties ◽  
Molecular Structures ◽  
Alternative Form ◽  
Unicyclic Graphs ◽  
The Family ◽  
Statistical Conclusion

The study of forgotten index and coindex for the molecular structures of some special chemical graphs (compounds and drugs) has proven significant in medical and pharmaceutical drug design fields by making reliable statistical conclusion about biological properties of new chemical compounds and drugs. In mathematical chemistry, finding extreme graphs with respect to topological index is an active area of research. The aim of this paper is to characterize the family of unicyclic graphs with extreme (largest and smallest) F-coindex. Moreover, the study also contains different other properties of unicyclic graphs. All these results are based upon an alternative form of F-coindex which is established with the help of special property in the graphs.

scholarly journals Composition, biological properties and therapeutic effects of lavender (Lavandula angustifolia L). A review

2014 ◽  
Vol 60 (2) ◽  
pp. 56-66 ◽  
Author(s):  
Renata Prusinowska ◽  
Krzysztof B. Śmigielski
Keyword(s):  
Essential Oil ◽  
Chemical Compounds ◽  
Antimicrobial Activities ◽  
Biological Properties ◽  
Climatic Conditions ◽  
Quantitative Composition ◽  
Therapeutic Effects ◽  
Lavandula Angustifolia ◽  
The Family ◽  
Positive Effect

Abstract Lavender (Lavandula angustifolia) is a shrub of the family Lamiaceae, native to the Mediterranean region. The material used for herbal purposes includes lavender flowers (Lavandula flores) containing essential oil (3%), anthocyanins, phytosterols, sugars, minerals, and tannins. The qualitative and quantitative composition of the essential oil of lavender is variable and depends on genotype, growing location, climatic conditions, propagation, and morphological features. The essential oil contains over 300 chemical compounds. The dominant components are linalool, linalyl acetate, terpinen-4-ol, acetate lavandulol, oci-mene, and cineole. Lavender essential oil has good antioxidant and antimicrobial activities and a significant positive effect on the digestive and nervous systems. Lavender extract prevents dementia and may inhibit the growth of cancer cells, while lavender hydrolate is recommended for the treatment of skin problems and burns.

scholarly journals On Realization and Characterization of Topological Indices

2019 ◽  
Vol 9 (1) ◽  
pp. 715-718
Keyword(s):  
Topological Index ◽  
Fixed Number ◽  
Topological Indices ◽  
Molecular Structures ◽  
Real Numbers ◽  
Graph Invariants ◽  
Chemical Graph ◽  
Zagreb Indices ◽  
Chemical Graph Theory

In chemical graph theory, topological index is one of the graph invariants which is a fixed number based on structure of a graph. Topological index is used as one of the tool to analyze molecular structures and for proper and optimal design of nanostructure. In this paper we realize the real numbers that are topological indices such as Zagreb indices, Randic index, NK-index, multiplicative F-index and multiplicative Zagreb indices along with some characterizations.

scholarly journals Topological Indices Study of Molecular Structure in Anticancer Drugs

2016 ◽  
Vol 2016 ◽  
pp. 1-8 ◽  
Author(s):  
Wei Gao ◽  
Weifan Wang ◽  
Mohammad Reza Farahani
Keyword(s):  
Anticancer Drugs ◽  
Theoretical Basis ◽  
Chemical Reactivity ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Molecular Structures ◽  
Smart Polymer ◽  
The Family ◽  
Physical Features ◽  
Chemical Materials

Numerous studies indicate that there is strong inherent relationship between the chemical characteristics of chemical compounds and drugs (e.g., boiling point and melting point) and their molecular structures. Topological indices defined on these chemical molecular structures can help researchers better understand the physical features, chemical reactivity, and biological activity. Thus, the study of the topological indices on chemical structure of chemical materials and drugs can make up for lack of chemical experiments and can provide a theoretical basis for the manufacturing of drugs and chemical materials. In this paper, we focus on the family of smart polymer which is widely used in anticancer drugs manufacturing. Several topological indices are determined in view of edge dividing methods, and these results remedy the lack of chemical and medicine experiments thus providing the theoretical basis for pharmaceutical engineering.

scholarly journals On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices

2021 ◽  
Vol 11 (1) ◽  
pp. 21-32
Author(s):  
Fawaz E. Alsaadi ◽  
Syed Ahtsham Ul Haq Bokhary ◽  
Aqsa Shah ◽  
Usman Ali ◽  
Jinde Cao ◽  
...  
Keyword(s):  
Topological Index ◽  
Chemical Compounds ◽  
Quantitative Structure Activity Relationship ◽  
Topological Indices ◽  
Molecular Structures ◽  
Quantitative Structure ◽  
Structure Property ◽  
Graph Automorphism ◽  
Structure Property Relationship ◽  
Atom Bond

AbstractThe main purpose of a topological index is to encode a chemical structure by a number. A topological index is a graph invariant, which decribes the topology of the graph and remains constant under a graph automorphism. Topological indices play a wide role in the study of QSAR (quantitative structure-activity relationship) and QSPR (quantitative structure-property relationship). Topological indices are implemented to judge the bioactivity of chemical compounds. In this article, we compute the ABC (atom-bond connectivity); ABC4 (fourth version of ABC), GA (geometric arithmetic) and GA5 (fifth version of GA) indices of some networks sheet. These networks include: octonano window sheet; equilateral triangular tetra sheet; rectangular sheet; and rectangular tetra sheet networks.

scholarly journals Computing SS Index of Certain Dendrimers

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Weidong Zhao ◽  
M.C. Shanmukha ◽  
A. Usha ◽  
Mohammad Reza Farahani ◽  
K.C. Shilpa
Keyword(s):  
Chemical Structure ◽  
Topological Index ◽  
Chemical Compounds ◽  
Biological Properties ◽  
Molar Refraction ◽  
Topological Indices ◽  
Zagreb Indices ◽  
Mathematical Properties ◽  
Chemical Graph Theory ◽  
Physico Chemical

The numerical descriptor gathers the data from the molecular graphs and helps to know the characteristics of the chemical structure known as topological index. The QSAR/QSPR/QSTR studies are benefited with the significant role played by topological indices in the drug design. Topological indices provide the information about the physical/chemical/biological properties of chemical compounds. The Zagreb indices are widely studied because of their extensive usage in chemical graph theory. Inspired by the earlier work on inverse sum indeg index (ISI index), novel topological index known as SS index is introduced and computed for four dendrimer structures. Also, the strong correlation coefficient between SS index and 5 physico-chemical characteristics such as boiling point (bp), molar volume (mv), molar refraction (mr), heats of vaporization (hv), and critical pressure (cp) of 67 alkane isomers have been determined. It is found that newly introduced index has shown good correlation in comparison with three most popular existing indices (ISI index and first and second Zagreb indices). In the last part, the mathematical properties of SS index are discussed.

scholarly journals Chemistry and evolution of the Piperaceae

2007 ◽  
Vol 79 (4) ◽  
pp. 529-538 ◽  
Author(s):  
Massuo J. Kato ◽  
Maysa Furlan
Keyword(s):  
Phenolic Compounds ◽  
Antifungal Agents ◽  
Developmental Process ◽  
Structural Diversity ◽  
Biological Properties ◽  
Cladosporium Cladosporioides ◽  
Benzoic Acids ◽  
The Family ◽  
Adult Plants

The chemistry of members of the family Piperaceae is of great interest owing to the variety of biological properties displayed. A survey of structural diversity and bioactivity reveals that groups of species specialize in the production of amides, phenylpropanoids, lignans and neolignans, benzoic acids and chromenes, alkaloids, polyketides, and a plethora of compounds of mixed biosynthetic origin. Bioassays against Cladosporium cladosporioides and C. sphaerospermun have resulted in the characterization of various amides, prenylated phenolic compounds, and polyketides as potential classes of antifungal agents. Studies on the developmental process in seedlings of Piper solmsianum have shown that phenylpropanoid are produced instead of the tetrahydrofuran lignans found in adult plants. In suspension cultures of P. cernuum and P. crassinervium, phenylethylamines and alkamides predominate, whereas in the adult plants prenylpropanoids and prenylated benzoic acids are the respective major compound classes. Knowledge of the chemistry, bioactivity, and ecology of Piperaceae species provides preliminary clues for an overall interpretation of the possible role and occurrence of major classes of compounds.

scholarly journals On Computation of Face Index of Certain Nanotubes

2020 ◽  
Vol 2020 ◽  
pp. 1-6
Author(s):  
Ansheng Ye ◽  
Aisha Javed ◽  
Muhammad Kamran Jamil ◽  
Kanza Abdul Sattar ◽  
Adnan Aslam ◽  
...  
Keyword(s):  
Chemical Structure ◽  
Topological Index ◽  
Biological Properties ◽  
Topological Indices ◽  
Molecular Structures ◽  
Physical Chemical

Topological index is a number that can be used to characterize the graph of a molecule. Topological indices describe the physical, chemical, and biological properties of a chemical structure. In this paper, we derive the analytical closed formulas of face index of some planar molecular structures such as TUC4, TUC4C8S, TUHC6, TUC4C8R, and armchair TUVC6.

Characterization of Portuguese Propolis: Unraveling Biological Properties

Planta Medica ◽  
2014 ◽  
Vol 80 (16) ◽  
Author(s):  
CA Aguiar ◽  
AM Ferreira ◽  
R Oliveira ◽  
F Baltazar ◽  
A Cunha
Keyword(s):  
Biological Properties

Prothrombin Metz : Purification and Characterization of a Variant of Human Prothrombin

1979 ◽  
Author(s):  
M Ribieto ◽  
J Elion ◽  
D Labie ◽  
F Josso
Keyword(s):  
Molecular Weight ◽  
Gel Electrophoresis ◽  
Polyacrylamide Gel Electrophoresis ◽  
Factor Xa ◽  
Polyacrylamide Gel ◽  
Cleavage Pattern ◽  
Purification And Characterization ◽  
Double Immunodiffusion ◽  
The Family

For the purification of the abnormal prothrombin (Pt Metz), advantage has been taken of the existence in the family of three siblings who, being double heterozygotes for Pt Metz and a hypoprothrombinemia, have no normal Pt. Purification procedures included barium citrate adsorption and chromatography on DEAE Sephadex as for normal Pt. As opposed to some other variants (Pt Barcelona and Madrid), Pt Metz elutes as a single symetrical peak. By SDS polyacrylamide gel electrophoresis, this material is homogeneous and appears to have the same molecular weight as normal Pt. Comigration of normal and abnormal Pt in the absence of SDS, shows a double band suggesting an abnormal charge for the variant. Pt Metz exhibits an identity reaction with the control by double immunodiffusion. Upon activation by factor Xa, Pt Metz can generate amydolytic activity on Bz-Phe-Val-Arg-pNa (S2160), but only a very low clotting activity. Clear abnormalities are observed in the cleavage pattern of Pt Metz when monitored by SDS gel electrophoresis. The main feature are the accumulation of prethrombin l (Pl) and the appearance of abnormal intermediates migrating faster than Pl.

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