Currently, graph-based molecular structure descriptors are frequently used in QSAR (Quantitative Structure-Activity Relationship) and QSPR (Quantitative Structure-Property Relationship) modeling of the properties of chemical compounds. Octane isomers have an important role in the testing of such relationships. In this study, we compute some well-known topological descriptors of the molecular graphs of isomeric octanes and their line graphs, both indices and coindices.
View Article and Find Full Text PDFPharm Nanotechnol
September 2024
Introduction: Various dendrimer nanoparticles have properties like multivalency, controlled size, and surface functionality that make them promising nanocarriers for targeted drug delivery and other applications in pharmaceutical sciences. The precise tunability of dendrimers is an advantage over other nanoparticles. The topological descriptors can be used to predict the physicochemical properties of dendrimers and optimize their branching pattern for specific applications.
View Article and Find Full Text PDFThe Metaverse, underpinned by its technical infrastructure, heavily relies on user engagement and behavior for successful integration into educational settings. Understanding its driving factors is essential for such a platform to transition from theory to practice, especially in educational settings. However, these factors remain elusive due to inconsistencies in infrastructure and environments.
View Article and Find Full Text PDFGulf Cooperation Council (GCC) countries are highly vulnerable to climate change, including rising sea levels, extreme weather, and other environmental and social issues. GCC countries showed remarkable economic growth and development. However, this growth and development put severe pressure on the environment, leading to the degradation of the Environment.
View Article and Find Full Text PDFThe COVID-19 pandemic, on a global scale, has prompted multifaceted challenges, including a notable psychological toll on the general population. This study uses mixed-method approach for a nuanced exploration of these experiences. Using a phenomenological strategy, qualitative responses from 999 participants were analyzed regarding their pandemic-induced anxiety and the influence of quarantine measures on their lives.
View Article and Find Full Text PDFAlthough extant literature has thoroughly investigated the incorporation of cloud computing services, examining their influence on sustainable performance, particularly at the organizational level, is insufficient. Consequently, the present research aims to assess the factors that impact the integration of cloud computing within small and medium-sized enterprises (SMEs) and its subsequent effects on environmental, financial, and social performance. The data were collected from 415 SMEs and were analyzed using a hybrid SEM-ANN approach.
View Article and Find Full Text PDFThe reaction of hydroxyl radicals (OH) with a water-soluble fraction of the α-pinene secondary organic aerosol (SOA) was investigated using liquid chromatography coupled with negative electrospray ionization mass spectrometry. The SOA was generated by the dark ozonolysis of α-pinene, extracted into the water, and subjected to chemical aging by the OH. Bimolecular reaction rate coefficients () for the oxidation of terpenoic acids by the OH were measured using the relative rate method.
View Article and Find Full Text PDFThe novel coronavirus disease-19 (COVID-19) infection has altered the society, economy, and entire healthcare system. Whilst this pandemic has presented the healthcare system with unprecedented challenges, it has rapidly promoted the adoption of telemedicine to deliver healthcare at a distance. Telemedicine is the use of Information and Communication Technology (ICT) for collecting, organizing, storing, retrieving, and exchanging medical information.
View Article and Find Full Text PDFOzonolysis of β-caryophyllonic (BCA) and limononic (LA) acids in the aqueous-phase was investigated. The rate coefficients () measured for the BCA + ozone (O) reaction at 295 ± 2 K were 4.8 ± 0.
View Article and Find Full Text PDFEnviron Sci Technol
October 2018
Twenty semivolatile organic compounds that contribute to limonene secondary organic aerosol (SOA) were synthesized in the flow-tube reactor. Kinetics of the aqueous-phase oxidation of the synthesized compounds by hydroxyl radicals (OH) and ozone (O) were investigated at 298 ± 2 K using the relative rate method. Oxidized organic compounds identified as the major components of limonene SOA were quantified with liquid chromatography coupled to the electrospray ionization and quadrupole tandem mass spectrometry (LC-ESI/MS/MS).
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