On analysis of silicon dioxide based on topological indices and entropy measure via regression model.

The construction sector accounts for around 95% of the commercial usage of silicon dioxide (sand), for example, in the making of concrete. There are several uses for quartz, however in order to get a purer material, chemical processing is needed. Graph theory proved to be very beneficial for other research, especially in the applied sciences. In particular, graph theory has greatly influenced the field of chemistry. To do this, a transformation is needed to produce a graph with the vertices representing the atoms in the chemical compound and the edges indicating the bonds between the atoms. This graph then represents a chemical network or structure. In a graph, a vertex's valency (or degree) is determined by the number of edges that are incident to it. The entropy of a probability quantifies a system's level of uncertainty. In this article, we compute Zagreb-type indices and then compute the entropy measure. In order to evaluate the relevance of each kind, this article builds several edge degree-based entropies that link to the indices and establish how to adjust them. We also create the logarithmic regression model between indices and entropy.

A two-dimensional vertex model for curvy cell-cell interfaces at the subcellular scale.

Cross-sections of cell shapes in a tissue monolayer typically resemble a tiling of convex polygons. Yet, examples exist where the polygons are not convex with curved cell-cell interfaces, as seen in the adaxial epidermis. To date, two-dimensional vertex models predicting the structure and mechanics of cell monolayers have been mostly limited to convex polygons. To overcome this limitation, we introduce a framework to study curvy cell-cell interfaces at the subcellular scale within vertex models by using a parametrized curve between vertices that is expanded in a Fourier series and whose coefficients represent additional degrees of freedom. This extension to non-convex polygons allows for cells with the same shape index, or dimensionless perimeter, to be, for example, either elongated or globular with lobes. In the presence of applied, anisotropic stresses, we find that local, subcellular curvature or buckling can be energetically more favourable than larger scale deformations involving groups of cells. Inspired by recent experiments, we also find that local, subcellular curvature at cell-cell interfaces emerges in a group of cells in response to the swelling of additional cells surrounding the group. Our framework, therefore, can account for a wider array of multicellular responses to constraints in the tissue environment.

Comparative study of Sombor index and its various versions using regression models for top priority polycyclic aromatic hydrocarbons.

The aromatic compounds having structural configurations with two or more fused benzene rings are the polycyclic aromatic hydrocarbons (PAHs). Topological indices are valuable tools for studying the structure property relationships of PAHs and also helps in predicting various properties and activities. They find applications widely in computational chemistry, drug design and QSPR studies. This article focuses on analysing the potential predictive index for Sombor index (SO), elliptic Sombor index (ESO), Euler Sombor index (EU), reverse Sombor index (RSO), reverse elliptic Sombor index (RESO) and reverse Euler Sombor index (REU) using regression models for top priority 38 PAHs. From the study it is evident that, SO and RSO have proved to be potential predictive indices among the considered degree-based and reverse degree-based indices. The variation of best predictive index with minimal RMSE are plotted for linear, quadratic and cubic regression models for better understanding.

A comparison of multivariate curve resolution with endmember extraction methods in hyperspectral Raman imaging.

Hyperspectral Raman imaging not only offers spectroscopic fingerprints but also reveals morphological information such as spatial distributions in an analytical sample. However, the spectrum-per-pixel nature of hyperspectral imaging (HSI) results in a vast amount of data. Furthermore, HSI often requires pre- and post-processing steps to extract valuable chemical information. To derive pure spectral signatures and concentration abundance maps of the active spectroscopic compounds, both endmember extraction (EX) and Multivariate Curve Resolution (MCR) techniques are widely employed. The objective of this study is to carry out a systematic investigation based on Raman mapping datasets to highlight the similarities and differences between these two approaches in retrieving pure variables, and ultimately provide guidelines for pure variable extraction. Numerical simulations and Raman mapping experiments on a mixture of pharmaceutical powders and on a layered plastic foil sample were conducted to underscore the distinctions between MCR and EX algorithms (in particular Vertex Component Analysis, VCA) and their outputs. Both methods were found to perform well if the dataset contains pure pixels for each of the individual components. However, in cases where such pure pixels do not exist, only MCR was found to be capable of extracting the pure component spectra.

Computing degree based topological indices of algebraic hypergraphs.

Topological indices are numerical parameters that indicate the topology of graphs or hypergraphs. A hypergraph H = ( V ( H ) , E ( H ) ) consists of a vertex set V ( H ) and an edge set E ( H ) , where each edge e ∈ E ( H ) is a subset of V ( H ) with at least two elements. In this paper, our main aim is to introduce a general hypergraph structure for the prime ideal sum (PIS)- graph of a commutative ring. The prime ideal sum hypergraph of a ring R is a hypergraph whose vertices are all non-trivial ideals of R and a subset of vertices E i with at least two elements is a hyperedge whenever I + J is a prime ideal of R for each non-trivial ideal I, J in E i and E i is maximal with respect to this property. Moreover, we also compute some degree-based topological indices (first and second Zagreb indices, forgotten topological index, harmonic index, Randic index, Sombor index) for these hypergraphs. In particular, we describe some degree-based topological indices for the newly defined algebraic hypergraph based on prime ideal sum for Z n where n = p α , p q , p 2 q , p 2 q 2 , p q r , p 3 q , p 2 q r , p q r s for the distinct primes p , q , r and s.

Impact of planned delivery mode on neonatal outcomes and costs in twin pregnancies in Kenya.

Background: Twin pregnancies are associated with higher risks of adverse neonatal outcomes compared to singleton pregnancies. The choice of delivery mode, when twin A presents cephalic, remains a subject of debate. In low- and middle-income countries, where healthcare resources are limited, the decision on the mode of delivery is even more critical. Objective: To evaluate the neonatal outcomes and the hospital costs of planned vaginal delivery compared to cesarean section (CS) in twin pregnancies with twin A presenting cephalic at Tenwek Hospital, Kenya. Study Design: This retrospective cohort study analyzed data from all twin deliveries at Tenwek Hospital, Kenya from, April 1, 2017, to March 30, 2023. Maternal data, mode of delivery, and neonatal data were collected from delivery logs, electronic health records, and neonatal records. Neonatal outcomes were a composite of either Appearance, Pulse, Grimace, Activity, and Respiration score less than seven at 5 minutes, neonatal intensive care unit admission, resuscitation, birth trauma, or neonatal complications, including death before discharge from the hospital. A logistic regression model was created to assess the impact of the planned mode of delivery on neonatal outcomes, controlling for antenatal care clinic visits, noncephalic presentation of twin B, and birth weight category. Results: The study included 177 twin deliveries: 129 (72.9%) were planned as vaginal deliveries and 48 (27.1%) were planned for CS. Among the planned vaginal deliveries, 66 (51.2%) experienced adverse outcomes, compared to 14 (29.2%) in the CS group (P=.009). Logistic regression showed that the odds of adverse outcomes were 0.35 times lower in the CS group compared to the planned vaginal delivery group (95% CI: 0.15-0.83; P=.017). The average total hospital costs for planned vaginal delivery were 104,608 Kenya Shillings (standard deviation 111,761) compared to 100,708 Kenya Shillings (standard deviation 75,468) for CS (P=.82). Conclusion: Planned cesarean deliveries in twin pregnancies with twin A presenting cephalic at Tenwek Hospital were associated with fewer adverse neonatal outcomes compared to planned vaginal deliveries. There was no significant difference in hospital costs. These findings raise the question of the safest mode of delivery for patients in a resource-constrained setting.

Obstetrics and Gynecologic Hospitalists and Their Focus: Impact on Safety and Quality Metrics.

Obstetrics and gynecologic hospitalists play a pivotal role in the evolution of perinatal care. Hospitalists improve patient safety by providing on-site, reliable, high-quality care. Hospitalists help to reduce the rates of unnecessary cesarean deliveries and increase the rates of vaginal deliveries.

When the Crown has Thorns - Epileptic Spike-Wave Discharges over the Vertex.

Epileptiform abnormalities that arise over the midline can sometimes be confused with normal sleep transients, such as vertex sharp waves, because of their location and their activation during sleep. However, epileptiform transients can be distinguished from sleep architecture by their waveform and their occurrence during wakefulness. Here, we report a 24-year-old man with drug-resistant epilepsy whose seizures began with tonic posturing of the left leg before progressing to bilateral tonic-clonic activity. During presurgical scalp video-EEG monitoring, his interictal background showed focal spike-wave discharges maximal over the vertex (phase reversal at Cz), with a more-well-defined field over the right parasagittal region (C4/F4), that were present during both sleep and awake states. The discharges met the IFCN criteria for focal interictal epileptiform discharges (spiky morphology, duration shorter than background activity, asymmetric waveform, after-going slow wave, and physiologic distribution) and appeared to be distinct from the patient's vertex sharp waves. Prior to electroclinical seizures, these discharges would increase in prevalence and appear as repetitive spike-wave discharges. When distinguishing epileptiform from nonepileptiform transients, it is critical to consider both their morphology, especially the degree of background disruption and presence of an after-going slow wave, and their variability with state changes.

Arg18 Substitutions Reveal the Capacity of the HIV-1 Capsid Protein for Non-Fullerene Assembly.

In the fullerene cone HIV-1 capsid, the central channels of the hexameric and pentameric capsomers each contain a ring of arginine (Arg18) residues that perform essential roles in capsid assembly and function. In both the hexamer and pentamer, the Arg18 rings coordinate inositol hexakisphosphate, an assembly and stability factor for the capsid. Previously, it was shown that amino-acid substitutions of Arg18 can promote pentamer incorporation into capsid-like particles (CLPs) that spontaneously assemble in vitro under high-salt conditions. Here, we show that these Arg18 mutant CLPs contain a non-canonical pentamer conformation and distinct lattice characteristics that do not follow the fullerene geometry of retroviral capsids. The Arg18 mutant pentamers resemble the hexamer in intra-oligomeric contacts and form a unique tetramer-of-pentamers that allows for incorporation of an octahedral vertex with a cross-shaped opening in the hexagonal capsid lattice. Our findings highlight an unexpected degree of structural plasticity in HIV-1 capsid assembly.

Coupling Fault Diagnosis Based on Dynamic Vertex Interpretable Graph Neural Network.

Mechanical equipment is composed of several parts, and the interaction between parts exists throughout the whole life cycle, leading to the widespread phenomenon of fault coupling. The diagnosis of independent faults cannot meet the requirements of the health management of mechanical equipment under actual working conditions. In this paper, the dynamic vertex interpretable graph neural network (DIGNN) is proposed to solve the problem of coupling fault diagnosis, in which dynamic vertices are defined in the data topology. First, in the date preprocessing phase, wavelet transform is utilized to make input features interpretable and reduce the uncertainty of model training. In the fault topology, edge connections are made between nodes according to the fault coupling information, and edge connections are established between dynamic nodes and all other nodes. Second the data topology with dynamic vertices is used in the training phase and in the testing phase, the time series data are only fed into dynamic vertices for classification and analysis, which makes it possible to realize coupling fault diagnosis in an industrial production environment. The features extracted in different layers of DIGNN interpret how the model works. The method proposed in this paper can realize the accurate diagnosis of independent faults in the dataset with an accuracy of 100%, and can effectively judge the coupling mode of coupling faults with a comprehensive accuracy of 88.3%.

A Direct Route to closo-SBnCln Thiaboranes from Simple Electron-Precise Synthons: The Different Role of Chalcogen Bonding in SB5Cl5 and SB11Cl11 Crystals.

Six-vertex closo-SB5Cl5 (1) and ten-vertex closo-1-SB9Cl9 (2) thiaboranes have been prepared, besides the already known 12-vertex closo-SB11Cl11 (3), from the co-pyrolysis reaction of B2Cl4 with S2Cl2 at 280 °C in vacuo. The compounds are sublimable, off-white solids. Their elemental composition has been determined by high-resolution mass spectrometry. They were further characterized by one- and two-dimensional 11B NMR spectroscopy and X-ray structure determination for 1 and 3. Ab initio/GIAO/NMR computations support octahedral, bicapped square-antiprismatic, and icosahedral geometries for 1, 2 and 3, respectively, as expected based on their closo-electron counts. 1 is the first isolated example of a neutral polyhedral closo-thiaborane with a cluster size smaller than ten vertices. The solid-state structure of 3 is one of the rare examples of a single-crystal X-ray structure determination of an icosahedral heteroborane reported. The corresponding crystal-packing forces show the different role of chalcogen bonding in these octahedral and icosahedral crystals. In addition, there is a mass-spectrometry evidence for the recurrent formation of further thiaborane homologs of closo-SBnCln with n=4, 6, 10, and supra-icosahedral 12.

HSMVS: heuristic search for minimum vertex separator on massive graphs.

In graph theory, the problem of finding minimum vertex separator (MVS) is a classic NP-hard problem, and it plays a key role in a number of important applications in practice. The real-world massive graphs are of very large size, which calls for effective approximate methods, especially heuristic search algorithms. In this article, we present a simple yet effective heuristic search algorithm dubbed HSMVS for solving MVS on real-world massive graphs. Our HSMVS algorithm is developed on the basis of an efficient construction procedure and a simple yet effective vertex-selection heuristic. Experimental results on a large number of real-world massive graphs present that HSMVS is able to find much smaller vertex separators than three effective heuristic search algorithms, indicating the effectiveness of HSMVS. Further empirical analyses confirm the effectiveness of the underlying components in our proposed algorithm.

The power of graphs in medicine: Introducing BioGraphSum for effective text summarization.

In biomedicine, the expansive scientific literature combined with the frequent use of abbreviations, acronyms, and symbols presents considerable challenges for text processing and summarization. The Unified Medical Language System (UMLS) has been a go-to for extracting concepts and determining correlations in these studies; hence, the BioGraphSum model introduced in this study aims to reduce this UMLS dependence. Through adoption of an innovative perspective, sentences within a piece of text are graphically conceptualized as nodes, enabling the concept of "Malatya centrality" to be leveraged. This approach focuses on pinpointing influential nodes on a graph and, by analogy, the most pertinent sentences within the text for summarization. In order to evaluate the performance of the BioGraphSum approach, a corpus was curated that consisted of 450 contemporary scientific research articles available on the PubMed database, aligned with proven research methodology. The BioGraphSum model was subjected to rigorous testing against this corpus in order to demonstrate its capabilities. Preliminary results, especially in the precision-based and f-score-based ROUGE-(1-2), ROUGE-L, and ROUGE-SU metrics reported significant improvements when compared to other existing models considered state-of-the-art in text summarization.

Cesarean delivery is associated with lower neonatal mortality among breech pregnancies: a systematic review and meta-analysis of preterm deliveries ≤32 weeks of gestation.

OBJECTIVE: To investigate the association between actual and planned modes of delivery, neonatal mortality, and short-term outcomes among preterm pregnancies ≤32 weeks of gestation. DATA SOURCES: A systematic literature search was conducted in 3 main databases (PubMed, EMBASE, and the Cochrane Central Register of Controlled Trials from inception to November 16, 2022. The protocol was registered in advance in the International Prospective Register of Systematic Reviews (CRD42022377870). STUDY ELIGIBILITY CRITERIA: Eligible studies examined pregnancies ≤32nd gestational week. All infants received active care, and the outcomes were reported separately by different modes of delivery. Singleton and twin pregnancies at vertex and breech presentations were included. Studies that included pregnancies complicated with preeclampsia and abruptio placentae were excluded. Primary outcomes were neonatal mortality and intraventricular hemorrhage. STUDY APPRAISAL AND SYNTHESIS METHODS: Articles were selected by title, abstract, and full text, and disagreements were resolved by consensus. Random effects model-based odds ratios with corresponding 95% confidence intervals were calculated for dichotomous outcomes. Risk Of Bias In Non-randomized Studies - of Interventions-I was used to assess the risk of bias. RESULTS: A total of 19 observational studies were included involving a total of 16,042 preterm infants in this systematic review and meta-analysis. Actual cesarean delivery improves survival (odds ratio, 0.62; 95% confidence interval, 0.42-0.9) and decreases the incidence of intraventricular hemorrhage (odds ratio, 0.70; confidence interval, 0.57-0.85) compared to vaginal delivery. Planned cesarean delivery does not improve the survival of very and extremely preterm infants compared to vaginal delivery (odds ratio, 0.87; 95% confidence interval, 0.53-1.44). Subset analysis found significantly lower odds of death for singleton breech preterm deliveries born by both planned (odds ratio, 0.56; 95% confidence interval, 0.32-0.98) and actual (odds ratio, 0.34; 95% confidence interval, 0.13-0.88) cesarean delivery. CONCLUSION: Cesarean delivery should be the mode of delivery for preterm ≤32 weeks of gestation breech births due to the higher mortality in preterm infants born via vaginal delivery.

Cell-size-dependent regulation of Ezrin dictates epithelial resilience to stretch by countering myosin-II-mediated contractility.

The epithelial adaptations to mechanical stress are facilitated by molecular and tissue-scale changes that include the strengthening of junctions, cytoskeletal reorganization, and cell-proliferation-mediated changes in tissue rheology. However, the role of cell size in controlling these properties remains underexplored. Our experiments in the zebrafish embryonic epidermis, guided by theoretical estimations, reveal a link between epithelial mechanics and cell size, demonstrating that an increase in cell size compromises the tissue fracture strength and compliance. We show that an increase in E-cadherin levels in the proliferation-deficient epidermis restores epidermal compliance but not the fracture strength, which is largely regulated by Ezrin-an apical membrane-cytoskeleton crosslinker. We show that Ezrin fortifies the epithelium in a cell-size-dependent manner by countering non-muscle myosin-II-mediated contractility. This work uncovers the importance of cell size maintenance in regulating the mechanical properties of the epithelium and fostering protection against future mechanical stresses.

On QSAR modeling with novel degree-based indices and thermodynamics properties of eye infection therapeutics.

Topological descriptors are numerical results generated from the structure of a chemical graph that are useful in identifying the physicochemical characteristics of a wide range of drugs. The introduction of molecular descriptors advances quantitative structure-property relationship research. This article focuses on the nine degree-based topological indices and the linear regression model of the eye infection drugs. We introduced two new indices, namely, the "first revised Randic index" and the "second revised Randic index, for the analysis of eye infection drugs. Topological indices are calculated by using edge partitioning, vertex degree counting, and vertex degree labeling. This analysis is done with a scientific calculator and then authenticated with Matlab, a potent tool for examining data. The experimental data and results of the topological indices serve as inputs for the statistical computations and provide the values of intercepts, slopes, and correlation coefficients. All the correlations for the eye-infection drugs are positive, indicating a direct relationship between the experimental and estimated results of the drugs. There are significant results of the p-test for all of the characteristics of eye infection, such as molecular weight, boiling point, enthalpy, flash point, molar refraction, and molar volume, that validate the accuracy of the computations. A significant link was determined in this study between the defined indices with two properties: molar weight and molar refraction. The molar weight and molar refraction have a correlation coefficient ranging from 0.9. These results demonstrate a strong association between the indices and the properties under investigation. The linear regression approach is a valuable tool for chemists and pharmacists to obtain data about different medicines quickly and cost-effectively.

Single-stage full-depth scalp reconstruction with Matriderm®: a clinical case report and a brief literature review.

Reconstructing scalp defects after basal cell carcinoma removal in elderly patients is challenging. This case report emphasizes Matriderm® as a successful alternative, addressing limitations of traditional methods. The application of Matriderm® in resource-limited scenarios adds insights to surgical literature, and its' usage addresses challenges in patients, contributing to surgical knowledge.

Structural morphing in the viral portal vertex of bacteriophage lambda.

The portal protein of tailed bacteriophage plays essential roles in various aspects of capsid assembly, motor assembly, genome packaging, connector formation, and infection processes. After DNA packaging is complete, additional proteins are assembled onto the portal to form the connector complex, which is crucial as it bridges the mature head and tail. In this study, we report high-resolution cryo-electron microscopy (cryo-EM) structures of the portal vertex from bacteriophage lambda in both its prohead and mature virion states. Comparison of these structures shows that during head maturation, in addition to capsid expansion, the portal protein undergoes conformational changes to establish interactions with the connector proteins. Additionally, the independently assembled tail undergoes morphological alterations at its proximal end, facilitating its connection to the head-tail joining protein and resulting in the formation of a stable portal-connector-tail complex. The B-DNA molecule spirally glides through the tube, interacting with the nozzle blade region of the middle-ring connector protein. These insights elucidate a mechanism for portal maturation and DNA translocation within the phage lambda system. IMPORTANCE: The tailed bacteriophages possess a distinct portal vertex that consists of a ring of 12 portal proteins associated with a 5-fold capsid shell. This portal protein is crucial in multiple stages of virus assembly and infection. Our research focused on examining the structures of the portal vertex in both its preliminary prohead state and the fully mature virion state of bacteriophage lambda. By analyzing these structures, we were able to understand how the portal protein undergoes conformational changes during maturation, the mechanism by which it prevents DNA from escaping, and the process of DNA spirally gliding.

On topological analysis of two-dimensional covalent organic frameworks via M-polynomial.

Covalent organic frameworks (ZnP-COFs) made of zinc-porphyrin have become effective materials with a variety of uses, including gas storage and catalysis. To simulate the structural and electrical features of ZnP-COFs, this study goes into the computation of polynomials utilizing degree-based indices. We gave a methodical study of these polynomial computations using Excel, illustrating the complex interrelationships between the various indices. Degree-based indices provide valuable insights into the connectivity of vertices within a network. M-polynomials, on the other hand, offer a mathematical framework for representing and studying the properties of 2D COFs. By encoding structural information into a polynomial form, M-polynomials facilitate the calculation of various topological indices, including the Wiener index, Zagreb indices, and more. The different behavior of ZnP-COFs based on degree-based indices was illustrated graphically, and this comparison provided insightful information for prospective applications and the construction of innovative ZnP-COF structures. Moreover, we discuss the relevance of these techniques in the broader context of materials science and the design of functional covalent organic frameworks.

Choice of friction coefficient deeply affects tissue behaviour in stochastic epithelial vertex models.

To understand the mechanisms that coordinate the formation of biological tissues, the use of numerical implementations is necessary. The complexity of such models involves many assumptions and parameter choices that result in unpredictable consequences, obstructing the comparison with experimental data. Here, we focus on vertex models, a family of spatial models used extensively to simulate the dynamics of epithelial tissues. Usually, in the literature, the choice of the friction coefficient is not addressed using quasi-static deformation arguments that generally do not apply to realistic scenarios. In this manuscript, we discuss the role that the choice of friction coefficient has on the relaxation times and consequently in the conditions of cell cycle progression and division. We explore the effects that these changes have on the morphology, growth rate and topological transitions of the tissue dynamics. These results provide a deeper understanding of the role that an accurate mechanical description plays in the use of vertex models as inference tools. This article is part of a discussion meeting issue 'Causes and consequences of stochastic processes in development and disease'.