On Topological Properties for Benzenoid Planar Octahedron Networks

Liu, Jia‐Bao; Ali, Haidar; Ain, Qurat Ul; Ali, Parvez; Kirmani, Syed Ajaz K.

doi:10.3390/molecules27196366

Cited by 4 publications

(4 citation statements)

References 12 publications

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“…The retention indices (RI) of every compound were calibrated with C5–C30 alkanes, comparing them to the mass spectra in the NIST libraries. By using peak area normalization [ 37 , 38 , 39 ], the relative amounts of the identified volatile compounds were quantified.…”

Section: Methodsmentioning

confidence: 99%

Composition and Antioxidative and Antibacterial Activities of the Essential Oil from Farfugium japonicum

Wei

Zhang

2023

Molecules

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The composition of volatile oils of the leaf and stem of Farfugium japonicum (L.) Kitamura were prepared by supercritical fluid extraction (SFE)-CO2. A total 47 and 40 compounds were identified by GC/MS analysis, respectively, and only 13 compounds coexisted. The main constituent types in the leaf oil included alcohols (34.1%), hydrocarbons (24.1%), terpenoids (16.2%), benzenes (7.5%), and fatty acids (4.9%). In the stem oil, the constituent types chiefly included benzenes (18.8%), ketones (13.9%), terpenoids (17.0%), fatty acids (8.8%), phenolics (8.7%), steroids (8.6%), hydrocarbons (8.0%), and esters (5.7%). The predominant volatile compounds in the stem were 2-(1-cyclopent-1-enyl-1-methylethyl) cyclopentanone (11.7%), 1,2,3,4,5,6,7,8-octahydro- 9,10-dimethyl-anthracene (8.4%), 5-heptylresorcinol (6.5%), and α-sitosterol (5.2%). Those in the leaf mainly included (E)-3-hexen-1-ol (13.7%) and (Z)-3-hexen-1-ol (14.0%). This demonstrated a significant difference in the composition of both oils. Further study showed that stem oils demonstrated the highest DPPH (1,1-diphenyl-2-pinylhydrazyl) and ·OH free radical scavenging capacities at IC50 values of 9.22 and 0.90 mg/mL, respectively. In addition, they demonstrated the strongest antibacterial capacity against the Gram-positive bacteria methicillin-sensitive Staphylococcus aureus (MSSA) and methicillin-resistant Staphylococcus aureus (MRSA) at a minimum inhibitory concentration (MIC) of 0.16 mg/mL. This could be due to the SFE-CO2 extraction and the high accumulation of benzenes, terpenoids, and phenolics in the stem. In particular, the monoterpenes presented in terpenoids could play a special role in these findings.

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Section: Methodsmentioning

confidence: 99%

Composition and Antioxidative and Antibacterial Activities of the Essential Oil from Farfugium japonicum

Wei

Zhang

2023

Molecules

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“…Meng et al (2014) defined two generalized hesitant fuzzy Shapley–Choquet integral operators that globally consider the importance of the elements in a set as well as the correlation between them. Liu et al (2022) investigated the topological properties of benzenoid planar octahedron networks.…”

Section: Literature Reviewmentioning

confidence: 99%

Prediction and classification of chemical composition of ancient glass objects based on generalized Shapley functions

Cai,

Yin,

Han

2024

Front. Chem.

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Ancient glass products have suffered from the baptism of time and experienced changes in the burial environment and weathering, resulting in a change in the proportions of their chemical composition and interfering with their accurate identification by later generations. In this paper, the chemical composition of ancient glass products is predicted and identified. First, the multivariate statistical ANOVA test is applied to explore the relationship between whether the cultural relics samples are weathered or not and the glass type, decoration, and color to derive a law of chemical composition of the cultural relics and to analyze the correlation and difference among the four factors. Second, compared with the relevant data of the existing glass products, the missing values are processed by using the method of filling in the plurality. The weathering condition of the sampling points of the samples whose surfaces are not weathered is judged by the “distance discrimination method.” Combined with the characteristics of the lead-barium glass and the high-potassium glass, the law of the chemical composition content on the surface of the samples, weathered or not, is explored. The modeling of the gray prediction method was applied again to predict the chemical composition content before weathering. Finally, the generalized Shapley function of fuzzy measurement was used to analyze the correlation between indicators and the chemical compositions and their differences. The scheme proposed in this paper can solve the difficult problem of category judgment in archeology, which is of great significance in promoting the smooth progress of archaeological work.

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“…Te structure of Benzenoid hex planar octahedron is constructed and the topological properties of this structure are well discussed [33]. Te 2-dimensional structure of Benzenoid hex planar octahedron structure is given in Figure 3.…”

Section: Main Outcomesmentioning

confidence: 99%

A Perspective Approach to Study the Valency-Based Irregular Indices for Benzenoid Planar Octahedron Structures

Rosary¹,

Alsinai

Siddiqui

et al. 2023

Journal of Chemistry

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The molecular topology and the chemical structures which are not regular perform a dominant character in designing the compound in connection with their physical and chemical properties. The study of topological descriptors of molecular structures is widely used in the field of cheminformatics, information technology, biomedical science, and many more. Numerous topological indices have been evolved in the theory of chemistry. Graphs which are not regular can be specified using irregular measures. In this article, we find some irregularity indices, which are useful in Quantitative structure activity relationship for benzenoid structures. Based on the exact analytic expressions, the numerical and graphical comparison for benzenoid structures is also provided.

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On Topological Properties for Benzenoid Planar Octahedron Networks

Cited by 4 publications

References 12 publications

Composition and Antioxidative and Antibacterial Activities of the Essential Oil from Farfugium japonicum

Composition and Antioxidative and Antibacterial Activities of the Essential Oil from Farfugium japonicum

Prediction and classification of chemical composition of ancient glass objects based on generalized Shapley functions

A Perspective Approach to Study the Valency-Based Irregular Indices for Benzenoid Planar Octahedron Structures

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