Study Of Dynamics Research Articles

Molecular insights into the antioxidant and anticancer properties: A comprehensive analysis through molecular modeling, docking, and dynamics studies.

Plants are rich sources of therapeutic compounds that often lack the side effects commonly found in synthetic chemicals. Researchers have effectively synthesized pharmaceuticals from natural sources, taking inspiration from traditional medicine, in their pursuit of modern drugs. This study aims to evaluate the phenolic and flavonoid content of Solanum virginianum seeds using different solvent extracts, enzymatic assays including 2,2-diphenyl-1-picrylhydrazylactivity, reducing power, and superoxide activity. Our phytochemical screening identified active compounds, such as phenols, flavonoids, tannins, and alkaloids. The methanol extract notably possesses higher levels of total phenolic and flavonoid content in comparison to the other extracts. The results highlight the superior antioxidant activity of methanol-extracted leaves, demonstrated by their exceptional IC50 values, which surpass the established standard. In this study, molecular docking techniques were used to assess the binding affinity and to predict the binding conformation of the compounds. Quercetin 3-O beta- d-galactopyranoside displayed a binding energy of -8.35 kcal/mol with several important amino acid residues, PHE222, TRP440, ILE184, LEU192, VAL221, LEU218, SER185, and ALA188. Kaempferol 3-O-beta- l-glucopyranoside exhibited a binding energy of -8.33 kcal/mol, interacting with specific amino acid residues including ALA 441, VAL318, VAL322, MET307, ILI409, GLY442, and PHE439. The results indicate that the methanol extract has a distinct composition of biologically active constituents compared to the other extracts. Overall, seeds exhibit promise as natural antioxidants and potential agents for combating cancer. This study highlights the significance of utilizing the therapeutic capabilities of natural compounds and enhancing our comprehension of their pharmacological characteristics.

Molecular dynamics study on the influence of thermal aging on the mechanical properties of epoxy resins for high voltage bushing.

Thermal aging significantly deteriorates the mechanical properties and service performance of epoxy resins used for the high-voltage bushing. Current studies on the thermal aging behavior of epoxy resins mainly focus on experimental observations. However, an in-depth understanding of the mechanism of thermal aging of epoxy resins requires the monitoring of structural evolution of epoxy resins during thermal aging at the molecular level. To thoroughly analyze the intrinsic factors affecting structural evolution and the effect of thermal aging on the mechanical properties of epoxy resin for high-voltage bushing, epoxy resin models with different crosslinking degrees were established and thermal aging treatments at various temperatures and time periods were carried out by molecular dynamics simulation. It was found that the tensile strength of the epoxy resin was enhanced with the increase of the crosslinking degree, which was related to the elevation of the proportion of C-N and O-H bonds in its structure. With the increase of thermal aging temperature, the tensile strength of the epoxy resin decreased, which was related to the formation of weak bonds. At the early stage of thermal aging and after a period of high-temperature thermal aging, the strength of epoxy resin significantly decreases. The thermal aging of the epoxy resin is accelerated under external loading. In addition, the crosslinking degree and curing agent also affect the thermal aging resistance of epoxy resins. The results of this study can provide guidance for predicting and improving the thermal aging resistance of epoxy resins. Materials Studio was used to construct molecular models and complete crosslinking reactions. DGEBA and 44DDS (or 33DDS) were mixed at a ratio of 2:1, followed by crosslinking reaction. During this process, the Nose method was used to control temperature, the Berendsen method was used to control pressure, and the polymer consistent force field (PCFF) was used to control the motion and force of atoms. Isobaric-isothermal ensemble (NPT ensemble) was used to heat up epoxy resin models to various thermal aging temperatures of 400K, 500K, 600K and 700K. The models were maintained at these temperatures for different thermal aging times of 100ps, 200ps, 300ps, 400ps, 500ps, 600ps, 700ps and 800ps. Afterwards, the models were cooled down to 300K and subjected to uniaxial tensile testing at this temperature with a strain rate of 1 × 109s-1. The structural configurations and stress-strain data during the tensile process were recorded. The flow stress of the material was derived by counting the average stress in the 20-50% strain interval.

Multimodal 2D and 3D microscopic mapping of growth cartilage by computational imaging techniques - a short review including new research.

Being able to image the microstructure of growth cartilage is important for understanding the onset and progression of diseases such as osteochondrosis and osteoarthritis, as well as for developing new treatments and implants. Studies of cartilage using conventional optical brightfield microscopy rely heavily on histological staining, where the added chemicals provide tissue-specific colours. Other microscopy contrast mechanisms include polarization, phase- and scattering contrast, enabling non-stained or "label-free" imaging that significantly simplifies the sample preparation, thereby also reducing the risk of artefacts. Traditional high-performance microscopes tend to be both bulky and expensive. Computational imaging denotes a range of techniques where computers with dedicated algorithms are used as an integral part of the image formation process. Computational imaging offers many advantages like 3D measurements, aberration correction and quantitative phase contrast, often combined with comparably cheap and compact hardware. X-ray microscopy is also progressing rapidly, in certain ways trailing the development of optical microscopy. In this study, we first briefly review the structures of growth cartilage and relevant microscopy characterization techniques with an emphasis on FPM and advanced X-ray microscopies. We next demonstrate with our own results computational imaging through Fourier ptychographic microscopy (FPM) and compare the images with hematoxylin eosin and saffron (HES)-stained histology. Zernike phase contrast, and the nonlinear optical microscopy techniques of second harmonic generation (SHG) and two-photon excitation fluorescence (TPEF) are reported. X-ray attenuation-, phase- and diffraction-contrast computed tomography (CT) images of the very same sample are also presented for comparisons. Future perspectives on the links to artificial intelligence, dynamic studies and in vivo possibilities conclude the article.

Completely Methylene-Free Side Chain Enables Significant Microphase Separation at Medium IECs for Fuel-Cell Anion Exchange Membranes.

The introduction of hydrophobic side chain structures in anion exchange membranes (AEMs) to facilitate ion transport has been widely studied; however, low or moderate hydrophobic hydrocarbon and semifluorinated side chains are insufficient to induce a high degree of microphase separation. Herein, we design and prepare poly(aryl piperidinium) AEMs with completely methylene-free perfluorinated side chains, which can maximize the thermodynamic incompatibility between main- and side chains, thus enhancing microphase separation at medium ion exchange capacities (IECs). According to the molecular dynamics study, the methylene-free perfluorinated side chain leads to better hydration of cations. The hydroxide conductivity of the methylene-free perfluorinated side chain-grafted PAP-pF-1 membrane reaches 124.9 mS cm-1 at 80 °C, and the PAP-sF-1 with semifluorinated side chains and PAP-CH-1 with hydrocarbon side chains show lower conductivity (116.8 and 104.0 mS cm-1). The H2/O2 fuel cell using the PAP-pF-1 membrane demonstrates a remarkable peak power density (1651 mW cm-2 at 80 °C) and durability (greater than 300 h). This work provides a novel insight into enhancing microphase separation in AEMs; it opens up new possibilities for developing high-performance AEMs.

Marine-Derived Cytosine Arabinoside (Ara-C) Inhibits Biofilm Formation by Inhibiting PEL Operon Proteins (Pel A and Pel B) of Pseudomonas aeruginosa: An In Silico Approach.

Pseudomonas aeruginosa (P. aeruginosa) is a gram-negative biofilm-forming opportunistic human pathogen whose vital mechanism is biofilm formation for better survival. PelA and PelB proteins of the PEL operon are essential for bacterial-synthesized pellicle polysaccharide (PEL), which is a vital structural component of the biofilm. It helps in adherence of biofilm on the surface and maintenance of cell-to-cell interactions and with other matrix components. Here, in-silico molecular docking and simulation studies were performed against PelA and PelB using ten natural bioactive compounds, individually [podocarpic acids, ferruginol, scopadulcic acid B, pisiferic acid, metachromin A, Cytarabine (cytosine arabinoside; Ara-C), ursolic acid, oleanolic acid, maslinic acid, and betulinic acid], those have already been established as anti-infectious compounds. The results obtained from AutoDock and Glide-Schordinger stated that a marine-derived cytosine arabinoside(Ara-C) among the ten compounds binds active sites of PelA and PelB, exhibiting strong binding affinity [Trp224 (hydrogen), Ser219 (polar), Val234 (hydrophobic) for PelA; Leu365 and Glu389 (hydrogen), Gln366 (polar) for PelB] with high negative binding energy -5.518kcal/mol and -6.056kcal/mol, respectively. The molecular dynamic and simulation studies for 100ns showed the MMGBSA binding energy scores are -16.4kcal/mol (Ara-C with PelA), and -22.25kcal/mol (Ara-C with PelB). Further, ADME/T studies indicate the IC50 values of AraC are 6.10mM for PelA and 18.78mM for PelB, which is a comparatively very low dose. The zero violation of Lipinski's Rule of Five further established that Ara-C is a good candidate for drug development. Thus, Ara-C could be considered a potent anti-biofilm compound against PEL operon-dependent biofilm formation of P. aeruginosa.

Pressure Drop and Cavitation Optimization of a Relief Valve Featuring Quick Coupling Used in Radar Systems

AbstractThis extensive study is carried out to minimize the pressure drop of a relief valve featuring quick-releasing coupling used in radar systems. The 3D two-phase computational fluid dynamic (CFD) study is verified with the experiments, and Taguchi’s orthogonal method is implemented for pressure drop optimization. Realizable k–ε turbulence model with enhanced wall treatment and the Schnerr and Sauer cavitation model are enforced within the numerical study. Four angles—the collet angle, the inlet angle, the plug angle, and the outlet angle—are considered at five levels of variation for the orthogonal optimization process. According to the statistical analysis, two more designs are suggested, and one of them resulted in further improved pressure drop performance. Moreover, the cavitation behavior of the proposed design is compared with the base design through water vapor volume fractions. While the water vapor volume fraction of the base design is 0.0045, no vapor formation is observed in the optimized designs at 20 l/min. The results of the proposed design are also validated by the experiments. The outcomes of the study showed that the inlet angle has a significant effect on the pressure drop phenomenon.

Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study

Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study

Synthesis of N2-trans-isosafrole-dG-adduct Bearing DNAs and the Bypass Studies with Human TLS Polymerases κ and η.

Safrole is a natural product present in many plants and plant products, including spices and essential oils. During cellular metabolism, it converts to a highly reactive trans-isosafrole (SF) intermediate that reacts with genomic DNA and forms N2-SF-dG and N6-SF-dA DNA adducts, which are detected in the oral tissue of cancer patients with betel quid chewing history. To study the SF-induced carcinogenesis and to probe the role of low fidelity translesion synthesis (TLS) polymerases in bypassing SF adducts, herein, we report the synthesis of N2-SF-dG modified DNAs using phosphoramidite chemistry. The N2-SF-dG modification in the duplex DNA does not affect the thermal stability and retains the B-form of helical conformation, indicating that this adduct may escape the radar of common DNA repair mechanisms. Primer extension studies showed that the N2-SF-dG adduct is bypassed by human TLS polymerases hpolκ and hpolη, which perform error-free replication across this adduct. Furthermore, molecular modeling and dynamics studies revealed that the adduct reorients to pair with the incoming nucleotide, thus allowing the effective bypass. Overall, the results indicate that hpolκ and hpolη do not distinguish the N2-SF-dG adduct, suggesting that they may not be involved in the safrole-induced carcinogenicity.

Abnormally High Graphitic Crystallization of Cellulose Nanocrystals.

Cellulose nanocrystals (CNCs) are currently of great interest for many applications, such as energy storage and nanocomposites, because of their natural abundance. A number of carbonization studies have reported abnormal graphitization behavior of CNCs, although cellulose is generally known as a precursor for hard carbon (nongraphitizable carbon). Herein, we report a spray-freeze-drying (SFD) method for CNCs and a subsequent carbonization study to ascertain the difference in the structural development between the amorphous and crystalline phases. The morphological observation by high-resolution transmission electron microscopy of the carbonized SFD-CNC clearly shows that the amorphous and crystalline phases of CNC are attributed to the formation of hard and soft carbon, respectively. The results of a reactive molecular dynamics (RMD) study also show that the amorphous cellulose phase leads to the formation of fewer carbon ring structures, indicative of hard carbon. In contrast, the pristine crystalline cellulose phase has a higher density and thermal stability, resulting in limited molecular relaxation and the formation of a highly crystalline graphitic structure (soft carbon).

The state of the reproductive system of adolescent girls after vaccination against human papillomavirus using a quadrivalent vaccine

Background. Currently, oncological diseases and their possible prevention are being actively studied. Cancer mortality remains high. A national project “Healthcare” has been started in Russia, including the Federal projects “Fighting Cancer” and “Development of Children’s Health Care, including the creation of a modern infrastructure for providing medical care to children”. In a number of regions, girls can be vaccinated against the human papillomavirus (HPV). The main reason for refusing HPV vaccination is an unfounded fear of negatively affecting the fertility and other bad data. The aim of the study is an investigation of the reproductive system of adolescent girls with completed course of vaccination against HPV using quadrivalent vaccine. Methods. We selected 65 schoolgirls in Moscow by analyzing medical documentation data. All of them were vaccinated against HPV and examined by a gynecologist. The state of their reproductive system was assessed. Results. Most girls received the vaccine at the age of 12–13, according to the regional vaccination calendar of the city of Moscow. They were vaccinated with the quadrivalent vaccine twice with an interval of 6 months; no adverse event was noted. The mean period of time since vaccination was 2.7 ± 1.1 years. The mean age of menarche, mean menstrual cycle length, and mean bleeding time were normal in girls vaccinated against HPV. Among menstrual disorders, dysmenorrhea and oligomenorrhea were most often observed, but the data did not differ from the population average. The incidence of abnormal uterine bleeding and breast pathology was lower. No papillomas were detected. Pubertal development corresponded to age of all girls. Conclusion. It has been established that vaccination against the human papillomavirus does not have a negative impact on the reproductive system of teenage girls. However, additional dynamic studies are needed at different age periods of girls and women vaccinated against HPV to confirm the positive effect on the sexual sphere and formation of strong adherence to vaccination.

Multifaceted Activity of Fabimycin: Insights from Molecular Dynamics Studies on Bacterial Membrane Models.

Membranes─cells' essential scaffolds─are valid molecular targets for substances with an antimicrobial effect. While certain substances, such as octenidine, have been developed to target membranes for antimicrobial purposes, the recently reported molecule, fabimycin (F2B)─a novel agent targeting drug-resistant Gram-negative bacteria─has not received adequate attention regarding its activity on membranes in the literature. The following study aims to investigate the effects of F2B on different bacterial membrane models, including simple planar bilayers and more complex bilayer systems that mimic the Escherichia coli shell equipped with double inner and outer bilayers. Our results show that F2B exhibited more pronounced interactions with bacterial membrane systems compared to the control PC system. Furthermore, we observed significant changes in local membrane property homeostasis in both the inner and outer membrane models, specifically in the case of lateral diffusion, membrane thickness, and membrane resilience (compressibility, tilt). Finally, our results showed that the effect of F2B differed in a complex system and a single membrane system. Our study provides new insights into the multifaceted activity of F2B, demonstrating its potential to disrupt bacterial membrane homeostasis, indicating that its activity extends the currently known mechanism of FabI enzyme inhibition. This disruption, coupled with the ability of F2B to penetrate the outer membrane layers, sheds new light on the behavior of this antimicrobial molecule. This highlights the importance of the interaction with the membrane, crucial in combating bacterial infections, particularly those caused by drug-resistant strains.

The analytical study of soliton dynamics in fractional coupled Higgs system using the generalized Khater method

The analytical study of soliton dynamics in fractional coupled Higgs system using the generalized Khater method

Spin-charge-lattice couplings and Co doping effect in Ba(Fe1-xCox)2As2: An ab initio molecular dynamics study

Abstract As one of the typical iron-based superconductors, Ba(Fe1-xCox)2As2 exhibits a dome-like evolution of superconducting transition temperature T c with the Co doping (x), which provides an ideal platform to explore the mechanism of unconventional superconductivity. Through ab initio molecular dynamics (AIMD) studies, we find that the spin, charge, and lattice degrees of freedom in Ba(Fe1-xCox)2As2 are intimately coupled with a characteristic frequency around 5.5 THz, which originates from the A1g phonon mode of the As atoms. Compared with the undoped BaFe2As2, the spin dynamics in Ba(Fe1-xCox)2As2 (x = 0.0625, 0.1250, 0.1875) shows enhanced spatial inhomogeneities, though the features of the charge dynamics are rarely modified. Along with the increasing Co doping, the spatial inhomogeneities of Fe spin dynamics display nonmonotonic changes, mean-while the lattice vibrational spectra first show peak broadening and then restore the main peak around 5.5 THz, being both consistent with the nonmonotonic behavior of superconducting T c. Our study provides a molecular dynamics approach to investigate the couplings of spin, charge, and lattice in doped BaFe2As2, which could also be applied to explore the dome-like evolution of superconductivity in other Fe-based superconductors.

Design of adaptive-PID-Smith control in the two-mixing tank series

ABSTRACT A control strategy must be developed to maintain the product composition of the two- or more-mixed-flow reactor series. In this research, a two-mixing tank series (TMTS) was utilized in the laboratory to approach the two-mixed flow reactors’ problems. Both tanks are designed to overflow so that the volume remains constant. The salt solution was directly fed to Tank 1, while the water was charged to both tanks as the mixing progressed. The output of Tank-1 flowed to Tank-2 through a rather long pipe, resulting in dead time in Tank-2. The Smith predictor was applied to overcome dead time. The PRC (process reaction curve) method was used to tune the PID (proportional-integral-derivative) parameters of Tank-1 and Tank-2. The novel composition controls, adaptive-PID (APID) and modified metaheuristic adaptive-PID (MMAPID), have been proposed and compared with conventional PID. The mathematical models were rigorously examined through XCOS simulations. The processing system is considered sensitive to changes in input disturbances since the process time constants of both tanks were quite low. The dead time of 0.5 minutes was found in Tank 2. The PID parameters produced by PRC experiments resulted in stable responses to changes in the disturbance system. As shown in the dynamic simulation study, both novel APID and MMAPID give almost the same results; their responses are faster than the conventional PID. Based on the integral absolute error (IAE) results, APID with scheduling PID parameters produced the smallest IAE and outperformed the conventional PID. The results of the study highlight APID and MMAPID potential in PID control applications for composition control in a TMTS. The combined APID-Smith and MMAPID-Smith were able to overcome the dead time well. This study creates opportunities for engineers and professionals to use cutting-edge control technologies, improving automation and chemical process industries.

Dynamic Studies of Binary Adsorption System in Fixed Beds using Orthogonal Collocation on Finite Element Method

Dynamic Studies of Binary Adsorption System in Fixed Beds using Orthogonal Collocation on Finite Element Method

The binding energy distribution of H2S: why it is not the major sulphur reservoir of the interstellar ices

Abstract Despite hydrogen sulfide (H2S) has been predicted to be the major reservoir of S-bearing species on the icy mantles of interstellar grains, no solid H2S has been detected so far. A crucial parameter that governs whether or not a species remains frozen onto the grain mantles is its binding energy (BE). We present a new computational study of the H2S BE on a large amorphous water ice surface, constituted by 200 water molecules. The resulting H2S BE distribution ranges from 57 K (0.5 kJ/mol) to 2406 K (20.0 kJ/mol), with the average μ = 984 K (8.2 kJ/mol). We discuss the reasons why the low bound of the newly computed BE distribution, which testifies to the very weak interaction of H2S with the ice surface, has never been found by previous theoretical or experimental works before. In addition, the low H2S BEs may also explain why frozen H2S is not detected in interstellar ices. Following previous molecular dynamics studies that show that the energy of reactions occurring on ice surfaces is quickly absorbed by the water molecules of the ice and conservatively assuming that 10% of the HS + H → H2S formation energy (-369.5 kJ/mol) is left to the newly formed H2S, its energy is more than twice the largest BE and 5 times the average BE and, hence, H2S will most likely leave the water surface.

Social reproduction: Households, public policies, and alternative organizing

AbstractThis special issue (SI) contributes to a growing body of work in management and organization studies focusing on the complex relationship between social reproduction and inequalities in paid work and organizations. In this introduction to the SI, we first identify three key areas of inquiry relevant to the study of social reproduction: challenging the boundaries of productive and reproductive labor; inequalities and exploitation; and alternative organizing. We then present the seven papers of the SI that draw on research from Australia, South America, Spain, Turkey, the UK, and the US to contribute to the aforementioned areas, foregrounding distinctive social reproduction dynamics manifesting in the household and alternative organizations (cooperatives), and facilitated by state policies. Based on these contributions, we propose an agenda for future research on social reproduction that aims to address the persistence and potential transformation of the existing gender, class, and race orders. We call for future studies exploring changing parenthood roles and how these affect the organization of re/production tasks; for research revealing and investigating underlying inequalities (re)produced by public policy; for analyses of existing and potential forms of feminist alternative organizing, and how these are sometimes hindered by heteropatriarchal structures; and for the study of social reproduction dynamics across cultural, socioeconomic, and political contexts.

Efficient wastewater decontamination using magnetic bentonite-alginate beads: A comprehensive study of adsorption dynamics, regeneration, and molecular interactions

This study enhances wastewater treatment methodologies by developing magnetic bentonite-alginate beads (MBent-A beads) for adsorbing methylene blue (MB) from aqueous solutions. Experimental and computational analyses were employed to evaluate the beads' adsorption efficiency, utilizing characterization techniques including Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), point of zero charge (pHpzc), Brunauer-Emmett-Teller method (BET), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS) to examine the composite’s morphology and chemistry. Findings reveal a significant adsorption capacity with the beads' specific surface area at 3.94 m2/g and a maximum adsorption capacity of 774.32 mg/g. Adsorption kinetics adhered closely to the pseudo-second-order model, indicating a rapid adsorption process, while Langmuir isotherm analysis confirmed a uniform monolayer adsorption and temperature-dependent capacities. Thermodynamic analysis showed the adsorption process to be spontaneous and exothermic, reflecting a strong affinity between MB molecules and the bead surface. The beads demonstrated durability with more than 90% removal efficiency after five regeneration cycles, highlighting a minimal decrease from 98.54% to 90.60%. In-depth theoretical investigations using density functional theory (DFT), frontier molecular orbital (FMO), reduced density gradient (RDG), and quantum theory of atoms in molecules (QTAIM) analyses identified van der Waals forces and hydrogen bonding as primary interactions driving the adsorption. The synthesis of MBent-A beads and their confirmed efficacy in dye adsorption integrates experimental research with theoretical modeling, offering a robust solution for treating dye-contaminated wastewater and underlining the potential of MBent-A beads in environmental remediation.

Quantifying thermal and nonthermal contributions to disorder in ultrashort laser irradiated germanium: Nonadiabatic quantum molecular dynamics study

Quantifying thermal and nonthermal contributions to disorder in ultrashort laser irradiated germanium: Nonadiabatic quantum molecular dynamics study

Genomic epidemiology of Staphylococcus aureus from the Iberian Peninsula highlights the expansion of livestock associated-CC398 towards wildlife

Staphylococcus aureus is a versatile pathobiont, exhibiting a broad host range, including humans, other mammals, and avian species. Host specificity determinants, virulence, and antimicrobial resistance genes are often shared by strains circulating at the animal-human interface. While transmission dynamics studies have shown strain exchange between humans and livestock, knowledge of the source, genetic diversification, and transmission drivers of S. aureus in wildlife lag behind.In this work, we explore a wide array of S. aureus genomes from different sources in the Iberian Peninsula to understand population structure, gene content and niche adaptation at the human-livestock-wildlife nexus. Through Bayesian inference, we address the hypothesis that S. aureus strains in wildlife originate from humanized landscapes, either from contact with humans or through interactions with livestock. Phylogenetic reconstruction applied to whole genome sequence data was completed with a dataset of 450 isolates featuring multiple clones from the 1990–2022 period and a subset of CC398 strains representing the 2008–2022 period. Phylodynamic signatures of S. aureus from the Iberian Peninsula suggest widespread circulation of most clones among humans before jumping to other hosts. The number of transitions of CC398 strains within each host category (human, livestock, wildlife) was high (88.26 %), while the posterior probability of transitions from livestock to wildlife was remarkably high (0.99). Microbial genome-wide association analysis did not evidence genome rearrangements nor biomarkers suggesting S. aureus niche adaptation to wildlife, thus supporting recent spill overs. Altogether, our findings indicate that S. aureus isolates collected in the past years from wildlife most likely represent multiple introduction events from livestock. The clonal origin of CC398 and its potential to disseminate and evolve through different animal host species are highlighted, calling for management practices at the livestock-wildlife axis to improve biosecurity and thus restrict S. aureus transmission and niche expansion along gradients of human influence.