Hexahydroacridine derivatives as novel anti-Salmonella agents: In vitro, In vivo, and In silico studies.

Graphite cathodes enable high-voltage operation in dual-ion batteries but are intrinsically constrained by a single-electron chemistry and sluggish anion intercalation. Here, an iron-chloride-intercalated graphite stabilized by oxygen functional groups is shown to establish a pre-activated, cascade multi-electron redox pathway. Sequential oxidation of iron and chlorine at intermediate potentials simultaneously expands interlayer spacing and redistributes electronic density, creating a favorable host for high-voltage PF6 - intercalation. This synergistic activation enables an average transfer of 2.61 electrons per redox event, breaking the intrinsic one-electron limit of graphite. As a result, the cathode delivers up to 5V (vs. Na/Na+) with a stable capacity of 52 mAh g-1 at 3 A g-1, significantly outperforming conventional graphite cathodes (15 mAh g-1). By integrating multi-electron redox chemistry with anion storage, this approach unlocks a new direction for high-power electrochemical energy storage.

Cerium dioxide (CeO2) has emerged as a structurally versatile oxide for dye-wastewater purification because its architecture, porosity, and surface accessibility can be tuned over a wide range while maintaining good chemical stability and environmental compatibility. Recent studies show that template-free or low-template routes can generate porous, mesoporous, multilayered, and flower-like CeO2 architectures with rapid dye uptake and, in some systems, adsorption-assisted photocatalytic removal. However, CeO2-based dye removal has often been discussed either within broad surveys of environmental applications or from composition-centered viewpoints, whereas the more fundamental question is how synthesis route controls architecture formation and how architecture, in turn, governs adsorption and subsequent removal behavior. This mini-review addresses that question from a morphology-centered perspective. It first examines template-free and low-template routes for constructing structured CeO2, then discusses how porosity, hierarchical assembly, and surface accessibility regulate adsorption kinetics and equilibrium capacity in dye-containing aqueous systems. It further considers adsorption-assisted photocatalytic removal and argues that dark adsorption should be regarded as the structural first step rather than a secondary contribution. On this basis, the review shows that rare-earth doping in these systems is most usefully understood as a secondary tuning strategy that refines an already favorable host architecture by modifying surface interaction, optical response, or reactive-species generation. Overall, the available evidence indicates that CeO2-based dye-wastewater purification is most meaningfully interpreted through a route-architecture-function framework in which morphology defines the host, adsorption organizes the local reaction environment, and doping serves mainly as structure-assisted tuning. This perspective shifts the design logic of CeO2 from empirical performance optimization toward rational structure-directed construction of integrated removal platforms.

Immunomodulatory and dentinogenic potential of surface-engineered hesperetin-functionalized composite scaffolds for pulp-dentin regeneration.

This study aimed to contribute to the biological control of two economically significant fruit fly species, Bactrocera zonata and Bactrocera dorsalis. The research examined the effects of different host fruit species and artificial larval diets on their development. Experiments were conducted under controlled laboratory conditions (28 ± 2°C, 60-65% relative humidity). Specified five fruit varities were selected as a host including apple (Malus sylvestris), guava (Psidium guajava), mango (Mangifera indica), persimmon (Diospyros kaki), and pomegranate (Punica granatum). Key biological parameters taken into consideration were egg production, larval and pupal development time, survival rate, adult emergence percentages, and sex ratios. Comparisons were made between liquid and solid artificial diets under different host conditions. Results revealed that P. guajava was the most favorable host, yielding optimal egg production (297.3 ± 9.3), larval numbers (261 ± 3.2), pupal counts (237.6 ± 27.1), and adult emergence rates (86.9 ± 3.9%). Similarly, P. granatum exhibited the longest egg hatching duration (2.3 ± 0.3 days) and larval development time (7.6 ± 0.3 days). While M. sylvestris and D. kaki showed maximum pupal duration (4.3 ± 0.3 days). Solid artificial diets produced higher egg numbers (408 ± 108.3) and extended developmental periods compared to liquid diets, though liquid diets achieved superior adult emergence rates (80 ± 2.8%). It is concluded that P. guajava serves optimally for Bactrocera mass rearing. Moreover, solid diets enhance reproduction while liquid diets improve adult emergence. This can help and inform existing and future biological control programs.

Comparative analysis of SUMO and his-tag fusion for soluble expression of the SARS-CoV-2 omicron RBD in E. coli.

Candida species are among the most common opportunistic fungal pathogens affecting humans, particularly immunocompromised individuals. While Candida albicans has historically been the predominant etiological agent of candidiasis, recent epidemiological trends indicate a significant rise in infections caused by non-albicans Candida species, many of which exhibit intrinsic or acquired resistance to commonly used antifungal agents. These yeasts, which normally exist as commensals within the human microbiota, can transition to pathogenic forms under favourable host or environmental conditions. This review provides a comprehensive overview of the clinical and epidemiological features of Candida infections, with emphasis on laboratory diagnosis, virulence mechanisms, and antifungal resistance. Conventional and advanced diagnostic methods, including culture-based techniques, phenotypic tests, and molecular assays, are critically discussed. The growing challenge of antifungal resistance, biofilm-associated infections, and emerging multidrug-resistant species such as Candida auris is also addressed. Understanding these evolving dynamics is essential for improving patient outcomes, guiding antifungal therapy, and informing public health interventions

Abstract The annual bluegrass weevil (ABW), Listronotus maculicollis Kirby, is arguably the most destructive turfgrass insect pest of golf courses and tennis courts in eastern North America, threatening high-value playing surfaces. The ABW was first detected on golf courses in Long Island, New York, in the late 1950s, and has since spread throughout the northeastern United States and eastern Canada. Its accelerated spread over the past 30 yr is likely related to the transport of infested sod, leading to its establishment in the southeastern and midwestern United States. Concomitantly, it has increasingly infested less favorable hosts, such as creeping bentgrass, especially in regions where its preferred host, Poa annua L., is scarce. With few viable alternatives for ABW management, insecticides remain integral to maintaining the aesthetic and functional characteristics of managed turfgrass playing surfaces. Insecticide applications are often made sequentially throughout the season due to the relatively small size of ABW, its cryptic life stages, and the potential for damage to high-value turf. This overreliance on chemical control has fueled widespread resistance to pyrethroids, with some highly resistant populations exhibiting decreased sensitivity to unrelated compounds (i.e., multiple resistance), disrupting ABW control and threatening the long-term sustainability of management programs. Understanding ABW ecology and targeting key vulnerabilities can help design management programs that disrupt its life cycle and minimize turfgrass damage. Here, we review over 50 yr of research on ABW ecology, biology, and management, highlighting key discoveries, persistent and emerging challenges, and potential opportunities for more sustainable control strategies.

Butterflies are beautiful as well as an important part of nature. Butterflies are good indicators of a healthy ecosystem and act as good pollinator agents, increasing the productivity of plants by promoting fertilisation. The objectives of the present survey are focused on the assessment of the diversity and seasonal variation of butterflies and their host plants found at Mukutmanipur. Mukutmanipur is known for its green forest, dam, birding hotspot, and habitat of chital deer. This survey was carried out from February 2024 to January 2025 and divided into four seasons- pre-monsoon, monsoon, post-monsoon and winter. Species diversity of butterflies was measured by using relative density, relative abundance, relative frequency, Shannon index, Simpson’s diversity index, Margalef index etc. Analysis of season-wise distribution of species diversity indices was done through single-factor ANOVA. Individual rarefaction analysis was conducted study seasonal variation. Hierarchical classical clustering was done between seasons through the Jaccard similarity index through UPGMA. 42 species of butterflies were reported under five families. The current study indicates abundant butterflies belonging to the Nymphalidae family with 18 species. The highest count of butterflies was observed during the monsoon season and this reflection is also evident in individual rarefaction analysis. Season-based hierarchical cluster analysis shows higher similarity of butterflies between the monsoon and post-monsoon seasons. A checklist of the butterflies found in this region is also prepared. Lantana, Imperata and Calotropis were found to be the most favoured host plants of the butterflies of the study area

BackgroundAcellular dermal matrices (ADMs) originate from various tissues and are manufactured by different processes, which can influence material properties that affect host response upon implantation.ObjectivesThe aim of the study was to compare material properties and host responses to ADMs derived from human or porcine dermis.MethodsThe morphology of commercially available ADMs (human-derived AlloDerm [hADM], porcine-derived Strattice Pliable [pADM-S], and porcine-derived Artia [pADM-A]) was evaluated through bright-field and scanning electron microscopy and compared with unprocessed human and porcine dermis. Collagen melting temperatures were assessed through differential scanning calorimetry. Host responses to ADMs were assessed in rat (pADM-A and pADM-S) and nonhuman primate (NHP) models (pADM-A, pADM-S, and hADM). Histologic responses were evaluated for inflammation, fibroblast infiltration, and revascularization.ResultsMorphologically, the extracellular matrix structures of hADM, pADM-A, and native human dermis were similarly loose, whereas the structures of pADM-S and native porcine dermis were tighter. Collagen melting temperatures were similar across all samples. Following 20 h exposure to collagenase enzyme, hADM retained the most undigested collagen, followed by pADM-A, then pADM-S. Following 2 and 4 weeks of implantation in the rodent and NHP models, pADM-A yielded the most favorable host response with ample cell infiltration, vascularization, and minimal inflammation vs other implanted ADMs. Minimal-to-moderate inflammatory responses were observed for all materials; hADM and pADM-A demonstrated the lowest responses.ConclusionsIn both short-term preclinical implantation models, comparable morphologies and biochemistry of pADM-A and hADM allowed for similarly favorable host responses vs pADM-S. All ADMs assessed demonstrated responses consistent with a favorable regenerative mechanism of action.Level of Evidence: 4 (Therapeutic)

5,7-Dimethoxyflavone(5,7-DMF) is a bioactive flavonoid with broadpharmacological potential; however, its poor aqueous solubility limitspharmaceutical development. To address this, we explored the inclusioncomplexation of 5,7-DMF with β-cyclodextrin (βCD) andits derivatives hydroxypropyl-βCD (HPβCD) and sulfobutylether-βCD(SBEβCD) using an integrated computational and experimentalstrategy. Molecular docking identified potential binding orientations,which were further evaluated by 500 ns classical MD simulations toexamine conformational dynamics and host–guest stability. LB-PaCSMD simulations captured unbiased ligand entry, showing rapid and stableencapsulation primarily through the primary rim (∼80%), withboth B-form and C-form complexes, and C-form being more stable. Bindingfree energy analyses using MM/GBSA and MM/PBSA, supported by QM/MMcalculations (ωB97XD/def2-TZVP:HF/6–31G­(d)), consistentlyranked SBEβCD as the most favorable host. Phase solubility studiesfurther corroborated these findings, showing significantly enhancedsolubility for the SBEβCD complex, consistent with the computationalpredictions. Experimental characterization of the freeze-dried complexesby 1H NMR validated the inclusion of 5,7-DMF within thecyclodextrin cavities. Collectively, this study provides mechanisticinsights into the host–guest interaction landscape of 5,7-DMFwith CD carriers and supports the rational design of CD-based deliverysystems to improve solubility and bioavailability of hydrophobic therapeutics.

The separation of hexane isomers is crucial for producing high-octane gasoline but is challenged due to their similar properties. Herein, a biomimetic separation strategy was presented inspired by the molecular recognition mechanism of enzyme active sites to achieve hexane isomer separation. Through rational design of pore geometry and chemical environment, Ni-pca-pyz, with the precision of biological systems, was developed. The framework features optimized aperture size (∼5.2 Å) and tailored surface functionality, enabling perfect discrimination between mono- and dibranched isomers. This biomimetic design resulted in excellent separation performance, with breakthrough experiments directly producing high-purity dibranched isomers with research octane numbers (RON) above 90. Theoretical calculations confirmed that the exceptional separation performance stems from the synergy between steric exclusion and favorable host–guest interactions, effectively replicating the lock-and-key recognition mechanism observed in enzymatic systems. This work establishes a biomimetic paradigm for advanced, energy-efficient separation materials.

Objective Indapamide, a thiazide-like diuretic, exhibits very low aqueous solubility, which restricts its oral bioavailability and therapeutic efficacy. This study aimed to enhance its solubility and stability by forming inclusion complexes with various cyclodextrins. Significance Poor aqueous solubility remains a major challenge for oral delivery of many diuretics and other BCS class II drugs. Cyclodextrin inclusion offers a safe and pharmaceutically accepted strategy to overcome these limitations. By quantitatively bridging phase-solubility/van’t Hoff thermodynamics (ΔG°, ΔH°, ΔS°) with molecular modeling metrics (ΔE, orientation Approach A vs B), this work provides a mechanistic explanation of host–guest recognition and stability that goes beyond prior indapamide–CD reports. The study identifies SBE-β-CD as superior on mechanistic grounds (synergistic electrostatic and H-bonding interactions consistent with enthalpy-driven binding; ΔE = −28.8 kcal·mol−1; ∼8.7-fold solubility gain) and benchmarks preparation methods (freeze-drying > co-evaporation > kneading) while linking amorphization and HPLC retention shifts to complexation efficiency. Collectively, these advances yield a practical, generalizable decision framework for rational excipient and process selection in formulations of poorly water-soluble drugs. Methods Five cyclodextrins (α-CD, β-CD, γ-CD, hydroxypropyl-β-CD, and sulfobutylether-β-CD) were systematically evaluated using an integrated experimental–computational approach. Phase-solubility studies were performed to determine stoichiometry and stability constants, and thermodynamic parameters (ΔG°, ΔH°, ΔS°) were derived from van’t Hoff analysis conducted over the temperature range of 293–313 K. Solid-state characterization was carried out using SEM, XRD, and HPLC. Molecular modeling with HyperChem was performed at the MM+ and PM3 levels to assess host–guest orientations, binding energies, and electronic properties. Results Phase solubility analysis confirmed the formation of 1:1 AL-type complexes, with sulfobutylether-β-CD achieving the highest solubilization (∼8.7-fold), followed by hydroxypropyl-β-CD and γ-CD, while α-CD showed minimal effect. Thermodynamic evaluation revealed that the inclusion process was spontaneous, exothermic, and enthalpy-driven. SEM and XRD demonstrated transformation of indapamide from crystalline to amorphous state, and HPLC confirmed efficient encapsulation. Molecular modeling showed favorable host–guest interactions, with sulfobutylether-β-CD providing the most stable binding (ΔE = −28.8 kcal·mol−1). Conclusions The integrated findings highlight the superior potential of modified cyclodextrins, particularly sulfobutylether-β-CD, as excipients for improving solubility, dissolution, and oral bioavailability of indapamide. These results establish a mechanistic foundation for future formulation strategies targeting poorly water-soluble diuretics and related therapeutic agents.

Prussian blue (PB) and its analogues (PBAs) are the most favorable and intriguing earth-abundant hosts for potassium ions. The exact mechanism and the stoichiometry of K+ ions insertion and de-insertion into PBA has not yet been fully identified, thus the charge storage mechanism remains poorly understood. This work uses a multiscale investigation strategy highlighted by an in-situ multi-harmonics electrochemical quartz crystal microbalance with dissipation monitoring (EQCM-D) to uncover the dynamic, reversible K+ insertion into PBAs. Findings reveal an electrolyte concentration dependent stoichiometry for a water-participated K+ insertion and de-insertion. The host material is subject to a dramatic restructuring merely at high potassium salt concentrations, while a high charge retention is observed through various K salt concentrations.

Surface modification is crucial for improving bone-implant integration, but current coating technologies lack simplicity, efficiency, and multifunctionality needed for clinical use. Metal-phenolic networks (MPNs) are emerging as a promising biomaterial interface that addresses osseointegration challenges through precise physicochemical design. Our study introduces a gallic acid-arginine@zinc (GA-Arg@Zn) MPN coating that promotes favorable host responses in the following ways: (1) Immunomodulation: Shifting macrophages towards CD206+ anti-inflammatory phenotypes while reducing TNF-α, IL-1β, and IL-6 secretion to create an immunoregulatory environment that minimizes fibrous encapsulation. (2) Osteopromotion: Enhancing bone marrow stromal cell (BMSC) osteogenic differentiation by increasing ALP activity and OCN expression through modulation of the ionic microenvironment. (3) Biointerface Engineering: Establishing an immunologically favorable osteogenic microenvironment that boosts BMSC recruitment and mineralization capacity through paracrine signals from macrophages. This self-reinforcing “immuno-osseous” regenerative axis integrates material-induced immunomodulation with stem cell activation, representing a significant advancement in orthopedic interface engineering. The coating’s rapid aqueous deposition and inherent antibacterial properties further highlight its clinical promise.

A major challenge in gas separation is designing porous materials with energy-efficient guest selectivity, primarily because molecular-level mechanisms underpinning adsorption and selectivity remain unclear from both the thermodynamic and kinetic perspectives. This work examines the selective adsorption of acetylene versus carbon dioxide in anion-pillared microporous metal–organic frameworks (MOFs) using solid-state nuclear magnetic resonance spectroscopy, quantum mechanical cluster models integrated with density functional theory (DFT) calculations, and molecular dynamics simulations. The isostructural SIFSIX-1-Cu and SIFSIX-3-Cu MOFs share a pcu topology, are composed of the same Cu(II) metal node, and have an identical inorganic pillared ligand (SiF62–) but incorporate the different 4,4’ bipyridine and pyrazine organic linkers. The variation in pore size and chemical composition between SIFSIX-1-Cu and SIFSIX-3-Cu gives rise to distinct host–guest interactions. Multinuclear in situ variable temperature solid-state nuclear magnetic resonance experiments targeting single-component and binary mixtures of 13CO2 and C2D2, accompanied by DFT calculations, reveal that SIFSIX-1-Cu is strongly selective toward acetylene adsorption despite its larger pore size, due to stronger C–H···F interactions and more favorable host–guest geometry, while SIFSIX-3-Cu efficiently adsorbs both acetylene and carbon dioxide. The adsorption locations and guest dynamics of acetylene and carbon dioxide were determined from experimental and computational data. These findings provide important guidance for rational design of selective adsorption materials, including metal–organic frameworks.

Predictive modeling of orogenic gold prospectivity in the Wawa area, western Nigeria, using three most commonly-used machine learning algorithms

Abstract Aeromagnetic and magnetotelluric (MT) data are used to better understand the geology and mineral resources near the Stibnite-Yellow Pine mining district in central Idaho. The reduced-to-pole (RTP) transformation of regional-scale aeromagnetic data shows that allochthonous island-arc rocks west of the Salmon River suture are significantly more magnetic than the Laurentian continental rocks east of the suture and that the granitoids of the Idaho batholith have moderate to low magnetization in both early, metaluminous, and late, peraluminous phases. Application of tilt derivative to aeromagnetic data highlights major crustal-scale structures. The 5-km upward continued magnetic data indicate island-arc rocks have deep magnetic sources. The 110-km-long MT profile images resistivity structure to depths around 30 km. At shallow depths, resistivity corresponds to mapped geologic units, with moderate resistivities underlying volcanic and roof-pendant metasedimentary rocks and moderate to high resistivities occurring beneath the Idaho batholith. Crustal-scale moderate resistivities beneath the suture image the results of tectonomagmatic processes that accompanied suturing and translating allochthonous terranes. Low resistivity values beneath and fringing the batholith are derived from metasedimentary rocks that may have served as a melt source and reductant during melt generation and provided metals during later ore formation. In the Stibnite-Yellow Pine mining district, a high-resolution aeromagnetic compilation is shown to correlate with mapped lithologies and mineral deposit-related structures. The RTP transform distinguishes magnetic and nonmagnetic granitoid phases of the Idaho batholith. The tilt derivative highlights metasedimentary rocks, some of which are favorable ore hosts. The Meadow Creek fault hosts the Stibnite and Hangar Flats deposits and is imaged as a magnetic low due to hydrothermal alteration. Reconstructions of magnetic anomaly offsets and orebodies indicate around 3 km of post-95 Ma dextral separation, with some or all of the offset inferred to postdate the main Au mineralization episode (61–66 Ma).

In August 2023, a scrub typhus "outbreak-alert" was generated by the Integrated Disease Surveillance Program from Sagalee block, Arunachal Pradesh, India. We investigated to characterize the outbreak and identify possible exposures. A case was defined as immunoglobulin M antibody positive for scrub typhus by rapid diagnostic or enzyme-linked immunosorbent assay in resident (>6 months stay) of Sagalee block between January and September 2023 and identified from surveillance line-list and facility record review. We interviewed cases using a semi-structured questionnaire for demographics, clinical presentations, and possible exposures. We surveyed the case environment for shrubs, water bodies, domestic animals, and rodent infestation. We collected rodent pinna for mite isolation and serology samples for the Weil-Felix test and calculated entomological indices. Of 42 cases identified (67% females, median age 40 years, interquartile range 28-50), 83% were farmers and 62% had forest-dependent livelihoods. Eschar was present in 12% cases; 98% recovered, and one died. All cases resided either within 100 m of forest, fields, and water bodies or 10 m from bushes, 95% reported domestic or peridomestic rodent activity, and none used insect repellent or insecticide/rodenticide. Rodent infestation rate was 78% (18/23), chigger-index nine (207/23) (critical value 0.69), and 44% (7/16) of rodent samples had significant (>1:40) OXK titres in Weil-Felix test. We demonstrated that conducive ecology, favorable human host behavior, and high density of vector infestation completed the epidemiological triad of scrub typhus. We recommended that the district heath unit to coordinate with the agricultural and allied departments for rodent control activities and community awareness for personal protection measures.

Background. Cereal grasses are an integral component of not only natural but also anthropogenic cenoses as weeds or cultivated crops. Of these, 183 species are included in the range of food plants for the bird cherry-oat aphid Rhopalosiphum padi (L.), which damages cereal crops. In this regard, studying them as alternative hosts for aphids is of particular relevance.Material and methods. Fourteen wild and cultivated species of grasses, including those from the VIR collection, were phenotyped on the basis of calculating the number and the winging in the offspring of summer apterae R. padi from the northw estern and Krasnodar populations under model experimental conditions. The development parameters of aphids were determined after the first 14 days of aphid reproduction. The results were assessed using generally accepted methods of variance and correlation analyses.Results. Groups of grasses that support the reproduction and dispersal of R. pad i to varying degrees were identified. Among them, Echino chloa crus-galli (L.) Beauv. was ranked among the least favorable hosts, where the number of R. padi, both from the northwestern and Krasnodar populations, was the lowest (33.3 ± 6.0; 41.6 ± 2.2 offspring), and the offspring winging was high (31.8%; 32.6%). Poa tr ivialis L. (236.7 ± 34.9; 181.7 ± 23.9 and 15.9%; 20.4%, respectively), along with wheat (cv. ‘Leningradskaya 6’) and maize (hybrid ‘Voronezhsky 158’), were classified as the most favorable hosts. The formation of the number of R. padi offspring of both populations was significantly influenced by plant characteristics, clonal differences, and the geographic origin of the aphids; winging in offspring, by the host plant.Conclusion. The selected groups of grasses require monitoring as alternative hosts for R. padi.