Topological analysis and predictive modeling of amino acid structures with implications for bioinformatics and structural biology.

Amino acids, as the fundamental constituents of proteins and enzymes, play a vital role in various biological processes. Amino acids such as histidine, cysteine, and methionine are known to coordinate with metal ions in proteins and enzymes, playing critical roles in their structure and function. In metalloproteins, metal ions are often coordinated by specific amino acid residues, contributing to the protein's stability and catalytic activity.

Sharp coefficient bounds for a class of symmetric starlike functions involving the balloon shape domain.

Recent research has extensively explored classes of starlike and convex functions across various domains. This study introduces a novel class of symmetric starlike functions with respect to symmetric points and associated with the balloon shape domain. We establish the explicit representation of all functions in this class.

Raising the Bar: Progress in 3D-Printed Hybrid Bone Scaffolds for Clinical Applications: A Review.

Damage to bones resulting from trauma and tumors poses a significant challenge to human health. Consequently, current research in bone damage healing centers on developing three-dimensional (3D) scaffolding materials that facilitate and enhance the regeneration of fractured bone tissues. In this context, the careful selection of materials and preparation processes is essential for creating demanding scaffolds for bone tissue engineering.

Degree-based topological indices and entropies of diamond crystals.

High hardness, low friction coefficient and chemical resistance are only a few of the exceptional mechanical qualities of diamond. Diamonds can be artificially created to have different levels of conductivity, or they can be single, micro or nanocrystalline and highly electrically insulating. It also has high biocompatibility and is famous for being mechanically robust.

Boundary values of Hankel and Toeplitz determinants for -convex functions.

The study of holomorphic functions has been recently extended through the application of diverse techniques, among which quantum calculus stands out due to its wide-ranging applications across various scientific disciplines. In this context, we introduce a novel q-differential operator defined via the generalized binomial series, which leads to the derivation of new classes of quantum-convex (q-convex) functions. Several specific instances within these classes were explored in detail.

Correction: Multicriteria decision making attributes and estimation of physicochemical properties of kidney cancer drugs via topological descriptors.

[This corrects the article DOI: 10.1371/journal.pone.

Analyzing the expected values of neighborhood degree-based topological indices in random cyclooctane chains.

Cyclooctane is classified as a cycloalkane, characterized by the chemical formula . It consists of a closed ring structure composed of eight carbon atoms and sixteen hydrogen atoms. A cyclooctane chain typically refers to a series of cyclooctane molecules linked together.

Multicriteria decision making attributes and estimation of physicochemical properties of kidney cancer drugs via topological descriptors.

Based on topological descriptors, QSPR analysis is an incredibly helpful statistical method for examining many physical and chemical properties of compounds without demanding costly and time-consuming laboratory tests. Firstly, we discuss and provide research on kidney cancer drugs using topological indices and done partition of the edges of kidney cancer drugs which are based on the degree. Secondly, we examine the attributes of nineteen drugs casodex, eligard, mitoxanrone, rubraca, and zoladex, etc and among others, using linear QSPR model.

Exploring expected values of topological indices of random cyclodecane chains for chemical insights.

Chemical graph theory has made a significant contribution to understand the chemical compound properties in the modern era of chemical science. At present, calculation of the topological indices is one of most important area of research in the field of chemical graph theory. Cyclodecane is a cyclic hydrocarbon with the chemical formula .

The fractional analysis of thermo-elasticity coupled systems with non-linear and singular nature.

It is mentioned that understanding linear and non-linear thermo-elasticity systems is important for understanding temperature, elasticity, stresses, and thermal conductivity. One of the most crucial aspects of the current research is the solution to these systems. The fractional form of several thermo-elastic systems is explored, and elegant solutions are provided.

Computation of expected values of some connectivity based topological descriptors of random cyclooctane chains.

Cyclooctane is a cycloalkane consisting of carbon and hydrogen atoms arranged in a closed ring structure. Cyclooctane chains can be found in various organic compounds and are significant in the field of organic chemistry due to their diverse reactivity and properties. The atom-bond connectivity index ( ), the geometric-arithmetic index ( ), the arithmetic-geometric index ( ) and the forgotten index ( ) are four well-studied molecular descriptors that have found applications in QSPR and QSAR studies.

Analysis of two layered peristaltic-ciliary transport of Jeffrey fluid and in vitro preimplantation embryo development.

The analysis of peristaltic-ciliary transport in the human female fallopian tube, specifically in relation to the growing embryo, is a matter of considerable physiological importance. This paper proposes a biomechanical model that incorporates a finite permeable tube consisting of two layers, where the Jeffrey fluid model characterizes the viscoelastic properties of the growing embryo and continuously secreting fluid. Jeffrey fluid entering with some negative pressure gradient forms the core fluid layer while continuously secreting Jeffrey fluid forms the peripheral fluid layer.

An estimation of physiochemical properties of bladder cancer drugs via degree-based chemical bonding topological descriptors.

The use of topological descriptors remains a significant approach due to numerous advances in the field of drug design. Descriptors provide numerical representations of a molecule's chemical characteristics when used with QSPR models. The QSPR analysis for bladder medications is the main focus of this study.

Metric and fault-tolerant metric dimension for GeSbTe superlattice chemical structure.

The concept of metric dimension has many applications, including optimizing sensor placement in networks and identifying influential persons in social networks, which aids in effective resource allocation and focused interventions; finding the source of a spread in an arrangement; canonically labeling graphs; and inserting typical information in low-dimensional Euclidean spaces. In a graph G, the set S⊆V(G) of minimum vertices from which all other verticescan be uniquely determined by the distances to the vertices in S is called the resolving set. The cardinality of the resolving set is called the metric dimension.

A paradigmatic approach to the molecular descriptor computation for some antiviral drugs.

In theoretical chemistry, topological indices are commonly employed to model the physico-chemical properties of chemical compounds. Mathematicians frequently use Zagreb indices to calculate a chemical compound's strain energy, melting point, boiling temperature, distortion, and stability. The current global pandemic caused by the new SARS-CoV-2, also known as COVID-19, is a significant public health concern.

Computational Studies on Diverse Characterizations of Molecular Descriptors for Graphyne Nanoribbon Structures.

Materials made of graphyne, graphyne oxide, and graphyne quantum dots have drawn a lot of interest due to their potential uses in medicinal nanotechnology. Their remarkable physical, chemical, and mechanical qualities, which make them very desirable for a variety of prospective purposes in this area, are mostly to blame for this. In the subject of mathematical chemistry, molecular topology deals with the algebraic characterization of molecules.

Computation of Entropy Measures for Metal-Organic Frameworks.

Entropy is a thermodynamic function used in chemistry to determine the disorder and irregularities of molecules in a specific system or process. It does this by calculating the possible configurations for each molecule. It is applicable to numerous issues in biology, inorganic and organic chemistry, and other relevant fields.

Some Study of Semigroups of -Bi-Ideals of Semirings.

Semigroups are generalizations of groups and rings. In the semigroup theory, there are certain kinds of band decompositions which are useful in the study of the structure of semigroups. This research will open up new horizons in the field of mathematics by aiming to use semigroup of -bi-ideal of semiring with semilattice additive reduct.

A New Group Decision-Making Technique under Picture Fuzzy Soft Expert Information.

As an extension of intuitionistic fuzzy sets, the theory of picture fuzzy sets not only deals with the degrees of rejection and acceptance but also considers the degree of refusal during a decision-making process; therefore, by incorporating this competency of picture fuzzy sets, the goal of this study is to propose a novel hybrid model called picture fuzzy soft expert sets by combining picture fuzzy sets with soft expert sets for dealing with uncertainties in different real-world group decision-making problems. The proposed hybrid model is a more generalized form of intuitionistic fuzzy soft expert sets. Some novel desirable properties of the proposed model, namely, subset, equality, complement, union and intersection, are investigated together with their corresponding examples.

Chaotic Attractors with Fractional Conformable Derivatives in the Liouville-Caputo Sense and Its Dynamical Behaviors.

This paper deals with a numerical simulation of fractional conformable attractors of type Rabinovich-Fabrikant, Thomas' cyclically symmetric attractor and Newton-Leipnik. Fractional conformable and β -conformable derivatives of Liouville-Caputo type are considered to solve the proposed systems. A numerical method based on the Adams-Moulton algorithm is employed to approximate the numerical simulations of the fractional-order conformable attractors.

An Efficient Computational Technique for Fractal Vehicular Traffic Flow.

In this work, we examine a fractal vehicular traffic flow problem. The partial differential equations describing a fractal vehicular traffic flow are solved with the aid of the local fractional homotopy perturbation Sumudu transform scheme and the local fractional reduced differential transform method. Some illustrative examples are taken to describe the success of the suggested techniques.