Graphs with given connectivity and their minimum Sombor index having applications to QSPR studies of monocarboxylic acids.

Heliyon

Metaverse Research Institute, School of Computer Science and Cyber Engineering, Guangzhou University, Guangzhou, Guangdong, 510006, PR China.

Published: January 2024

The Sombor index, introduced by Gutman in 2021, represents a novel graphical topological descriptor reliant upon graph degree information. It holds promise for elucidating the thermodynamic behavior of compounds. Denoting by (respectively, ) the set encompassing all connected graphs comprising vertices with a specific vertex-connectivity (correspondingly, edge-connectivity) value of . In Problem 1 (resp. Problem 2) of Hayat et al. (2022) [33], the question of finding minimum Sombor index of graphs in (resp. ) is proposed. In this note, we solve both of the open problems by characterizing minimizing graphs in and corresponding to the Sombor index. We employed commonly occurring valency-based graphical indices in a QSPR studies of the physicochemical characteristics for monocarboxylic acids. The proposed statistical models infer that the Sombor index predicts various physicochemical characteristics for monocarboxylic acids having strong predictive coefficients such as .

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10755296PMC
http://dx.doi.org/10.1016/j.heliyon.2023.e23392DOI Listing

Publication Analysis

Top Keywords

monocarboxylic acids
12
minimum sombor
8
qspr studies
8
physicochemical characteristics
8
characteristics monocarboxylic
8
sombor
5
graphs
4
graphs connectivity
4
connectivity minimum
4
sombor applications
4

Similar Publications

Article Synopsis
  • The study investigates the spatial relationships between key venous structures and the surface markers relevant to hemodialysis puncture catheterization, utilizing data from seventy cadavers.
  • Quantitative analysis reveals linear correlations between the angles of the vertical axis with the superior vena cava and venous structures, and various anatomical distances, aiding in understanding vascular puncture techniques.
  • Findings offer important insights that could improve intubation guidance by detailing how several anatomical parameters influence positioning for successful catheterization.
View Article and Find Full Text PDF

A metal coordination polymer nanoparticle synergistically re-establishes acidosis and enhances chemodynamic therapy for Glioblastoma.

Acta Biomater

November 2024

School of Medicine, Nankai University, Tianjin, 300071, China; Department of Radiotherapy, Chinese PLA General Hospital, Beijing, 100071, China. Electronic address:

Article Synopsis
  • * This study introduces Fe-CHC nanoparticles that inhibit the MCT4 transporter to acidify the intracellular environment, leading to higher lethality in tumor cells via enhanced CDT through Fenton reactions.
  • * Experimental results demonstrate that Fe-CHC nanoparticles not only significantly improve anti-tumor effects against glioblastoma but also impede tumor metastasis by reducing lactate and hydrogen levels outside the cells, offering new avenues for tumor treatment.
View Article and Find Full Text PDF

This work presents the method of synthesis and physicochemical characterization of isothiourea and cinnamic acid original derivative α-cyano-4-hydroxycinnamate 1-cyclohexanoy-l-2-ethylisothiourea (T1114). In studies of the cytotoxic and antitumor activity of T1114, it has been found that the combination in one molecular structure of NOS-inhibitory fragment (1-cyclohexanoyl-2-ethylisothiourea) and a fragment inhibiting monocarboxylate lactate transporters (MCT) (α-cyano-4-hydroxycinnamic acid) does not modify the cytotoxic activity of bifunctional NOS/MCT-inhibitor T1114 in vitro. But in vivo inhibition of NOS and MCT is able to realize effects on the tumor microenvironment and hypoxic tumor cells.

View Article and Find Full Text PDF

Dendrimer/Copper(II) Complex-Mediated siRNA Delivery Disrupts Lactate Metabolism to Reprogram the Local Immune Microenvironment against Tumor Growth and Metastasis.

Biomacromolecules

December 2024

State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, Shanghai Engineering Research Center of Nano-Biomaterials and Regenerative Medicine, College of Biological Science and Medical Engineering, Donghua University, Shanghai 201620, China.

Solid tumors reprogram metabolic pathways to meet their biosynthesis demands, resulting in elevated levels of metabolites in the tumor microenvironment (TME), including lactate. Excessive accumulation and active transportation of lactate within the TME drives tumor progression, metastasis, and immunosuppression. Interruption of TME lactate metabolism is expected to restore antitumor responses and sensitize tumor immunotherapy.

View Article and Find Full Text PDF

Purpose: Treatment of pediatric cancers with doxorubicin is a common and predictable cause of cardiomyopathy. Early diagnosis of treatment-induced cardiotoxicity and intervention are major determinants for the prevention of advanced disease. The onset of cardiomyopathies is often accompanied by profound changes in lipid metabolism, including an enhanced uptake of short-chain fatty acids (SCFA).

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!