| 1. |
- Aqib, M., et al.
(författare)
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On topological indices of some chemical graphs
- 2023
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Ingår i: Molecular Physics. - 0026-8976.
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Tidskriftsartikel (refereegranskat)abstract
- This research delves into the application of topological indices in predicting the physico-chemical properties of chemical materials. These indices have been employed in various QSAR and QSPR studies, providing a mathematical formulation to predict properties such as viscosity and radius of gyrations Rucker and Rucker [J. Chem. Inf. Comput. Sci. 39, 788-802, (1999)]. We explore several indices, including the forgotten topological index, inverse sum index, general sum connectivity index and first multiplicative atom bond connectivity index, and investigate their usefulness in predicting bio-activity and anti-inflammatory activities of certain chemical compounds. Specifically, we focus on the 2D allotrope structure, TiO2 nanotubes and dominating oxide and silicate chemical networks. We present a 3D graphical trend of these indices and perform a comparison to facilitate the observation of physical-chemical properties of these materials for researchers.
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| 2. |
- Aqib, M., et al.
(författare)
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Structural characterization of nanomaterials C4C8
- 2023
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Ingår i: Molecular Physics. - 0026-8976.
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Tidskriftsartikel (refereegranskat)abstract
- Topological indices are the numerical parameters of molecular graphs that characterise their behaviour and are mathematical invariant that preserves chemical and material properties. In a QSAR/QSPR study, physico-chemical properties and topological indices are studied. In this research, we shall calculate forgotten topological, inverse sum, the general sum connectivity and the first multiplicative atom-bond connectivity indices of carbon nanotubeTUC(4)C(8)[m,n] and C4C8 [m,n] nanotorus. The main motivation here is the molecular graphs of the nano-chemical compound TUC(4)C(8 )nanotubes andC(4)C(8)nanotorus. While the central and latest point of convergence of ourdiscussion is to provide a '3Dgraphical trend and relative comparison' of these derived topologicaldescriptors of these materials that will make them more useful and comparative for chemists, nanoand material scientists and would open a new 3Dgraphical horizon towards material sciences andchemical engineering.
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| 3. |
- Vasileiadis, Georgios, et al.
(författare)
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Adipokines and risk of rheumatoid arthritis : A two-sample multivariable Mendelian randomisation study
- 2023
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Ingår i: PLOS ONE. - : Public Library of Science (PLoS). - 1932-6203. ; 18:6
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Tidskriftsartikel (refereegranskat)abstract
- Adiponectin, leptin, and resistin are thought to be involved in the pathogenesis of rheumatoid arthritis (RA). However, the causal relationship between these adipokines and the risk for RA is unclear. We performed a range of two-sample Mendelian randomisation (MR) analyses to assess the causal effect of circulating adiponectin, leptin, and resistin on RA risk in European and East Asian individuals. Different sets of adiponectin-, leptin-, and resistin-related genetic variants were used as instruments for genetically determined adipokine levels. As body mass index (BMI) is a risk factor for RA and affects adipokine levels, multivariable MR was used to calculate the causal effect of each adipokine on RA risk taking BMI into account. Several MR analyses revealed no evidence of a causal relationship between circulating adiponectin, leptin, or resistin levels and RA risk in either Europeans or East Asians. Similarly, multivariable MR did not provide evidence of any causal effect of adiponectin, leptin, or resistin on RA risk when taking BMI into account. This MR study shows for the first time that genetically determined levels of adiponectin, leptin, or resistin do not have a direct causal effect on the risk of developing RA after adjustment for BMI.
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