- Graph theory and applications
- Computational Drug Discovery Methods
- Free Radicals and Antioxidants
- Synthesis and Properties of Aromatic Compounds
- Machine Learning in Materials Science
- Graphene research and applications
- Chemical Thermodynamics and Molecular Structure
- Supramolecular Self-Assembly in Materials
- History and advancements in chemistry
- Sulfur-Based Synthesis Techniques
- Phase-change materials and chalcogenides
- Advanced Photocatalysis Techniques
- Molecular spectroscopy and chirality
- Complex Network Analysis Techniques
- Graph Labeling and Dimension Problems
- Biofuel production and bioconversion
- Molecular Sensors and Ion Detection
- Organophosphorus compounds synthesis
- Nonlinear Optical Materials Studies
- Analytical Chemistry and Sensors
- Catalytic C–H Functionalization Methods
- Biodiesel Production and Applications
- Radical Photochemical Reactions
- Algal biology and biofuel production
- Carbon Nanotubes in Composites
Zhengzhou University
2018-2023
Universiti Malaysia Kelantan
2021
COMSATS University Islamabad
2019
Topological indices are numbers related to sub-atomic graphs allow quantitative structure-movement/property/danger connections. These topological correspond some specific physico-concoction properties such as breaking point, security, strain vitality of chemical compounds. The idea were set up in compound graph hypothesis view vertex degrees. valuable the investigation mitigating exercises Nanotubes and systems. In this paper, we discuss Zagreb types polynomials for a few covered by cycles.
A nanostructure belong to a significant and an extensively investigated compounds in chemical science. It has been derived through engineering mechanism at the molecular scale. The most important of these new materials are carbon nanotubes. Carbon nanosheets 2-dimensional lattices To compute study topological indices nanostructures respected problem nanotechnology. Quantitative structure-property structure-activity relationships nanotubes necessitate expressions for features compounds....
Background:: “Cerium oxide nanoparticles ( Aim and Objective:: The study“was aimed to analyze the chemical graph of crystal structure Ceria Oxide(cuprite) Materials Methods:: Chemical“graph theory plays an important role in modeling designing any structure. topological indices are numerical invariants a molecular very useful for predicting their physical properties. For calculation, we have utilized combinatorial processing strategy, edge partition technique, vertex analytic procedures,...
A heterogeneous photocatalyst based on copper-doped g-C3N4 was developed for the oxidative hydroxylation of aryl boronic acids into phenols at room temperature under irradiation blue light (460 nm). The reaction proceeded efficiently in water as a green solvent and air oxidant, giving various products with high yields short time. Importantly, this catalyst can be used least 5 times reactivities maintained.
Abstract The readily accessible and inexpensive dialkyl H -phosphonates are important building blocks for organic synthesis. This review specifically covers our recent work on the application of as reactants C–P bond formation, promoters quinoline N -oxides to synthesize 2-functionalized quinolines.
There are immense applications of graph theory in chemistry and the study molecular structures, after that, it has been increasing exponentially. Molecular graphs have points (vertices) representing atoms lines (edges) that represent bonds between atoms. In this paper, we 2- <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> <tex-math notation="LaTeX">$D$ </tex-math></inline-formula> silicon–carbon <italic...
Due to its metal-free and visible-light responsive nature, as well attractive electrical band structure excellent physicochemical stability, graphitic carbon nitride has become a new multidisciplinary research hot point. In the field of environmental remediation energy applications, this interesting semiconductor conjugated polymer is regarded viable material for capturing clean unlimited solar energy. We Used information entropy introduced by Shannon measure complexity underlying graph....
A variety of dendrimers exist, and each has biological properties such as polyvalency, selfassembling, electrostatic interactions, chemical stability, low cytotoxicity, solubility. These varied characteristics make a good choice in the medical field pharmaceuticals. topological index is actually designed by transforming molecular structure into numeric number. indices correlate certain physicochemical like boiling point, strain energy etc compounds. It reported that these are useful study...
Abstract In medical sciences, the molecular structure is discussed under consideration of topological index, and related biological, pharmaceutical, chemical properties various drugs are examined by computing indices. Many scientific experiments ongoing for medication COVID‐19 using redeliver. this paper, our objective to calculate degree‐based temperature indices their respective entropies graph remdesivir R . study, we derived some descriptors. Also, computed constructing relation...
Mathematical chemistry plays a vital role in investigating the metal-insulator transition Superlattice (GST-SL) of strongly correlated 3D electrons due to quantum confinement. The development epitaxial GST-SL thin films with design heterogenous openings is extraordinary interest their applications. thin-film declaration and construction exceptionally arranged amalgam accumulates are crucial for phase transformation application non-erratic retentiveness. Softening crystalline elements...
Graphite carbon nitride (g-C3N4) is well recognized among the most important products for photocatalytic processes, such as CO2 elimination, water isolation, purification, and remediation of environment by processing organic contaminants, also has remarkable characteristics including outstanding properties optical good thermal physiochemical efficiency with broad applications. The calculation topological index a molecular structure empowers researchers to have superior comprehension physical...
Dendrimers achieved great consideration in gene and drug delivery applications because of having highly administrable architecture. Unambiguous structure dendrimers might reduce the unpredictability related to molecule's shape size, also boost accuracy delivery. have exclusive physical chemical properties due which they extensive range potential like sensors, light harvesting material, enhance solubility, antitumer therapy, medical diagnostics, system, catalysts, many more. With total...
In this research work, we have explored the physical and topological properties of crystal structure metal‐insulator transition superlattice (GST‐SL). recent times, two‐dimensional substantial enamored comprehensive considerations owing to their novel ophthalmic mechanical for anticipated employment. Recently, some researchers put interest in modifying material into useful forms human life. Also, Metal‐Insulator Transition Superlattice (GST–SL) is form a thin film utilize as (2D) metal...
A dendrimer is an artificially manufactured or synthesized molecule built up from the branched units called monomers. Dendrimers are among most intricate chemical and fascinating structures hyper-stretched macromolecules, with a correctly custom fitted engineering. have increased wide scope of use in supra-molecular chemistry, especially host-guest reactions self-assembly process. Their applications biology, science nano-science boundless.Quantitative structure-property structure-activity...
The Kirchhoff index, global mean-first passage time, average path length and number of spanning trees are great importance in the field networking. “Kirchhoff index” is known as a structure descriptor index. “global time” measure for nodes that quickly reachable from whole network. “average length” efficiency information or mass transport on network, “number trees” used to minimize cost power networks, wiring connections, etc. In this paper, we have selected complex network based categorical...
In the era of 2019 most dangerous disease that have affected more than 200 countries is Covid-19 (i.e. corona virus 2019) spread by novel coronavirus) which transmitted from susceptible person to survivors in his surroundings. Such an epidemicity occurs first time world and number cases are excess normal expectancy for different areas that's why it not easy overcome this pandemic circumstances immediately. However, a challenge develop anti-virus drugs suspected patients at global level. The...
Scientists are inventing new materials, for example, a carbon nanotube-based composite created by NASA that bends when voltage is connected. A material belong to significant and an extensively investigated compounds in chemical science. It has been derived through engineering mechanism at the molecular scale. The most important of these materials nanotubes. They have remarkable electronic properties many other unique characteristics. Carbon nanosheets 2-dimensional lattices To compute study...
A molecular descriptor is a real valued number related to graph and structural invariant. Molecular Descriptors(Topological Indices) are the significant numerical quantities in fields of chemical theory. Quantitative structure-property relationships (QSPR)and structure-activity (SAR) polycyclic aromatic hydrocarbon compounds necessitate expressions for topological features these compounds. Topological indices vital devices investigating comprehend fundamental topology structures. Ev-degree...
A topological descriptor is a mathematical illustration of molecular construction that relates particular physicochemical properties primary structure as well its depiction. Topological co-indices are usually applied for quantitative action relationships (QSAR) and property (QSPR). which consider the noncontiguous vertex set. In this study, we studyied some accompanied renowned co-indices: 1st 2nd Zagreb co-indices, multiplicative F-coindex. By applying based examinations deductions, discuss...
In this paper, we discuss the degree based topological properties of novel planar metal-organic networks TM – TCNB. Interestingly, TCNB systems are metallic in any event one turn heading and show long-run ferromagnetic coupling on off chance that for attractive structures, which speak to perfect applicants a fascinating possibility uncommon applications spintronics. Chemical graph theory plays an important role modeling designing chemical structure. The indices numerical invariants molecular...
Photocatalysis mechanism has acquired an egregious amount of consideration for a wide spectrum utilizations in the environmental and energy fields. The potential applications which are rigorously associated with reclamation latest developments include water splitting, pollutant decomposition, photocatalytic diminution CO2. This study deals discussion crystal structure polyphenylene network photocatalysis PPN[m] computation some degree-based topological indices very beneficial estimating...
Graphite carbon nitride is well recognized among the most important products for photocatalytic processes, such as CO2 elimination, water isolation, purification, and remediation of environment by processing organic contaminants also have remarkable characteristics including outstanding properties optical good thermal physiochemical efficiency with broad applications. Topological indices are vital devices investigating chemical compounds to comprehend fundamental topology structures. Here,...