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Intratumoral injections of macromolecules, such as biologics and immunotherapeutics, show promise in overcoming dose-limiting side effects associated with systemic injections and improve treatment efficacy. However, the retention of injectates in the tumor microenvironment is a major underappreciated challenge. High interstitial pressures and dense tumor architectures create shear forces that rapidly expel low-viscosity solutions post-injection. Injectable hydrogels may address these concerns by providing a viscoelastic delivery vehicle that shields loaded therapies from rapid expulsion from the tumor. A chitosan–glycerol hydrogel was thus developed and characterized with the goal of improving the injection retention of loaded therapeutics. The gelation parameters and mechanical properties of the hydrogel were explored to reveal a shear-thinning gel that is injectable through a 27-gauge needle. Biocompatibility studies demonstrated that the chitosan–glycerol hydrogel was nontoxic. Retention studies revealed significant improvements in the retention of model therapeutics when formulated with the chitosan–glycerol hydrogel compared to less-viscous solutions. Finally, release studies showed that there was a sustained release of model therapeutics of various molecular sizes from the hydrogel. Overall, the chitosan–glycerol hydrogel demonstrated injectability, enhanced retention, biocompatibility, and sustained release of macromolecules, indicating its potential for future clinical use in intratumoral macromolecule delivery. Full article

Background: Previous research has demonstrated that 20 kHz probe or 37 kHz bath sonication of poloxamers comprising polypropylene glycol (PPG) and polyethylene glycol (PEG) blocks can generate degradation byproducts that are toxic to mammalian cells and organisms. Herein, an investigation of a PEGylated phospholipid micelle was undertaken to identify low-molecular-weight sonolytic degradation byproducts that could be cytotoxic. The concern here lies with the fact that sonication is a frequently employed step in drug delivery manufacturing processes, during which PEGylated phospholipids can be subjected to shear forces and other extreme oxidative and thermal conditions. Methods: Control and 20 kHz-sonicated micelles of DSPE-mPEG2000 were analyzed using dynamic light scattering (DLS) and zeta potential analyses to study colloidal properties, matrix-assisted laser desorption/ionization–time of flight (MALDI-TOF) mass spectroscopy (MS) and proton nuclear magnetic resonance (¹H-NMR) spectroscopy to study the structural integrity of DSPE-mPEG2000, and ¹H-NMR spectroscopy and high-performance liquid chromatography (HPLC) with ultraviolet (UV) detection to quantitate the formation of low-molecular-weight degradation byproducts. Results: MALDI-TOF-MS analyses of 20 kHz-sonicated DSPE-mPEG2000 revealed the loss of ethylene glycol moieties in accordance with depolymerization of the PEG chain; ¹H-NMR spectroscopy showed the presence of formate, a known oxidative/thermal degradation product of PEG; and HPLC-UV showed that the generation of formate was dependent on 20 kHz probe sonication time between 5 and 60 min. Conclusions: It was found that 20 kHz sonication can degrade the PEG chain of DSPE-mPEG2000, altering the micelle’s PEG corona and generating formate, a known ocular toxicant. Full article

Forty per cent of major depression patients are resistant to antidepressant medication. Thus, it is necessary to search for alternative treatments. Melatonin (N-acetyl-5-hydroxytryptamine) enhances neurogenesis and neuronal survival in the adult mouse hippocampal dentate gyrus. Additionally, melatonin stimulates the activity of Ca²⁺/Calmodulin-dependent Kinase II (CaMKII), promoting dendrite formation and neurogenic processes in human olfactory neuronal precursors and rat organotypic cultures. Similarly, ketamine, an N-methyl-D-aspartate receptor (NMDAR) antagonist, modulates CaMKII activity. Importantly, co-treatment of low doses of ketamine (10⁻⁷ M) in combination with melatonin (10⁻⁷ M) produces additive effects on neurogenic responses in olfactory neuronal precursors. Importantly, enhanced neurogenic responses are produced by conventional antidepressants like ISSRs. The goal of this study was to investigate whether hippocampal CaMKII participates in the signaling pathway elicited by combining doses of melatonin with ketamine acutely administered to mice, 30 min before being subjected to the forced swimming test. The results showed that melatonin, in conjunction with ketamine, significantly enhances CaMKII activation and changes its subcellular distribution in the dentate gyrus of the hippocampus. Remarkably, melatonin causes nuclear translocation of the active form of CaMKII. Luzindole, a non-selective MT₁ and MT₂ receptor antagonist, abolished these effects, suggesting that CaMKII is downstream of the melatonin receptor pathway that causes the antidepressant-like effects. These findings provide molecular insights into the combined effects of melatonin and ketamine on neuronal plasticity-related signaling pathways and pave the way for combating depression using combination therapy. Full article

The aim of the research was to analyse the effect of different extraction temperatures on the colligative, hydrodynamic, and rheological properties of a water-soluble AXs fractions. The research material consisted of raw water extracts of arabinoxylans obtained from the husk at the following temperatures: 40 °C (AX40), 60 °C (AX60), 80 °C (AX80), and 100 °C (AX100). These were characterised in terms of their hydrodynamic, osmotic, and rheological properties, as well as the average molecular mass of the polysaccharide fractions. An increase in extraction temperature resulted in an increase in weight-average molecular mass, from 2190 kDa (AX40) to 3320 kDa (AX100). The values of the osmotic average molecular mass were higher than those obtained from GPC, and decreased with increasing extraction temperature. The dominance of biopolymer–biopolymer interactions was evident in the shape of the autocorrelation function, which did not disappear as the extraction temperature and concentration increased. Furthermore, the values of the second virial coefficient were negative, which is indicative of the tendency of biopolymer chains to aggregate. The rheological properties of the extracts changed from being described by a power-law model (AX40 and AX60) to being described by the full non-linear De Kee model (AX80 and AX100). Full article

The goal of phylogeography is to explain how microevolutionary forces shape the gene pool of a lineage into the geography. In this study we have evaluated the amount of genetic variation in 13 populations of Dorymyrmex bicolor distributed in a mountainous region in Central Veracruz, Mexico. To do so, we sequenced fragments from the mitochondrial COI, COII, and nuclear LWRh genes. Segregated sites were found only at the mitochondrial markers, recovering a total of 21 different haplotypes. The nucleotide diversity ranged from 0 to 0.5% at the different sampling sites. Phylogenetic and spatial analyses of molecular variance revealed a weak but significant phylogeographic structure associated with lowland and mountainous zones. Molecular clock analysis suggests that radiation in the mountain area started 7500 years ago, whereas lineage radiation in the lowland started more recently, around 2700 years ago. The phylogeographic structure is incipient, with nests from lowlands more closely related to mountain nests than to other lowland nests, and vice versa. This seems to be consistent with a model of incomplete lineage sorting. The obtained patterns appear to be the result of restricted gene flow mediated by a complex topographic landscape that has been shaped by a dynamic geologic history. Full article

Magnetite (Fe₃O₄) provides a protective corrosion layer in the steam generators of nuclear power plants. The presence of monoethanolamine (MEA) in coolant water has a beneficial effect on corrosion processes. In that context, the adsorption of MEA and ethanol–ammonium cation on the {111} surface of magnetite was studied using the molecular dynamics (MD) method. A modified version of the mechanical force field (ClayFF) was used. The systems were simulated at different temperatures (423 K; 453 K; 503 K). Surface coverage data were obtained from adsorption simulations; the root-mean-square deviation (RMSD) of the target molecules were calculated, and their minimum distance to the magnetite surface was traced. The potential and adsorption energies of MEA were calculated as a function of temperature. It has been established that the interaction between MEA and magnetite is due to electrostatic phenomena and the adsorption rate increases with temperature. A comparison was made with existing experimental results and similar MD simulations. Full article

Classical thermodynamics omits rigidity, which property distinguishes solids from gases and liquids. By accounting for rigidity (i.e., Young’s elastic modulus, ϒ), we recently amended historical formulae and moreover linked heat capacity, thermal expansivity, and ϒ. Further exploration is motivation by the importance of classical thermodynamics to various applied sciences. Based on heat performing work, we show here, theoretically, that density times sublimation enthalpy divided by the molar mass (ρΔH_sub/M, energy per volume), depends linearly on ϒ (1 GPa = 10⁹ J m⁻³). Data on diverse metals, non-metallic elements, chalcogenides, simple oxides, alkali halides, and fluorides with cubic structures validate this relationship at ambient conditions. Furthermore, data on hcp metals and molecular solids show that ρΔH_sub/M is proportional to ϒ for anisotropic materials. Proportionality constants vary only from 0.1 to 0.7 among these different material types (>100 substances), which shows that the elastic energy reservoir of solids is large. Proportionality constants depend on whether molecules or atoms are sublimated and are somewhat affected by structure. We show that ductility of refractory, high-ϒ metals affect high-temperature determinations of their ΔH_sub. Our results provide information on sublimation processes and subsequent gas phase reactions, while showing that elasticity of solids is the key parameter needed to assessing their energetics. Implications are highlighted. Full article

In this work, the thermodynamics of molecular transport between two compartments connected by a nanochannel is investigated through an analysis of internal energy and entropy changes, with a focus on how these changes depend on intermolecular interaction strength. When interactions are weak, resembling gas-like behavior, entropy dominates and favors configurations in which molecules are evenly distributed between the two compartments, despite an increase in internal energy. In contrast, strong interactions, characteristic of liquid-like behavior, lead to dominant energetic contributions that favor configurations with molecules localized in a single compartment, despite entropy loss. Intermediate interaction strengths yield comparable entropic and energetic contributions that cancel each other out, resulting in oscillatory behavior between evenly distributed and localized configurations, as observed in previous work. This thermodynamic analysis reveals energy–entropy compensation, in which entropic and energetic contributions offset each other across different interaction strengths; notably, this compensatory relationship exhibits a linear trend. These findings provide insight into the thermodynamic origins of molecular transport behavior and highlight fundamental parallels between molecular transport and molecular binding, the latter being particularly relevant to molecular recognition and drug design. Full article

This study provides a thorough examination of the utilization of hydrophobic deep eutectic solvents (HDESs) for the extraction of 1,2-dichloroethane (1,2-DCA) from effluent, with an emphasis on a sustainable and environmentally friendly approach. The extraction efficacy of six HDES systems was initially evaluated, and the combinations of thymol/camphor (Thy/Cam) and menthol/thymol (Men/Thy) exhibited superior performance. Subsequently, these two HDESs were chosen for a comprehensive parametric analysis. The impact of contact time demonstrated that extraction equilibrium was reached at 15 min for both systems, thereby achieving a balance between high efficiency and time efficiency. Next, the impact of the HDES-to-water mass ratio was investigated. A 1:1 ratio was determined to be the most effective, as it minimized solvent consumption and provided high efficiency. An additional examination of the molar ratios of the HDES components revealed that the 1:1 ratio exhibited the most effective extraction performance. This was due to the fact that imbalances in the solvent mixture resulted in diminished efficiency as a result of disrupted molecular interactions. The extraction efficiency was significantly influenced by the initial concentration of 1,2-DCA, with higher concentrations resulting in superior results as a result of the increased mass transfer driving forces. In general, the Men/Thy and Thy/Cam systems have shown noteworthy stability and efficiency under different conditions, which makes them highly suitable for large-scale applications. Full article

The insulating rod of aramid fiber-reinforced epoxy resin composites (AFRP) is an important component of gas-insulated switchgear (GIS). Under complex working conditions, the high temperature caused by voltage, current, and external climate change becomes one of the important factors that aggravate the interface degradation between aramid fiber (AF) and epoxy resin (EP). In this paper, molecular dynamics (MD) simulation software is used to study the effect of temperature on the interfacial properties of AF/EP. At the same time, the mechanism of improving the interfacial properties of three nanoparticles with different properties (insulator Al₂O₃, semiconductor ZnO, and conductor carbon nanotube (CNT)) is explored. The results show that the increase in temperature will greatly reduce the interfacial van der Waals force, thereby reducing the interfacial binding energy between AF and EP, making the interfacial wettability worse. Furthermore, the addition of the three fillers can improve the interfacial adhesion of the composite material. Among them, Al₂O₃ and CNT maintain a large dipole moment at high temperature, making the van der Waals force more stable and the adhesion performance attenuation less. The Mulliken charge and energy gap of Al₂O₃ and ZnO decrease slightly with temperature but are still higher than AF, which is conducive to maintaining good interfacial insulation performance. Full article

The behavior of brine solution in the porous media of the strata is of great significance for geological environment regulation. In this study, a molecular dynamics model with silicon dioxide walls was constructed to reveal the regulatory mechanism of the natural potential of the electric field on cluster aggregation. It was found that the critical electric field intensity was 7 V/m. When the electric field intensity was lower than this value, the aggregation rate was only increased by 0.73 times due to thermal motion; when it was higher than this value, the rate increased sharply by 3.2 times due to the dominant effect of electric field force. The microscopic structure analysis indicated that the strong electric field induced the transformation of clusters from fractal structure into an amorphous structure (the index of the order degree increased by 58%). The directional regulation experiments confirmed that the axial electric field led to anisotropic growth (the index of uniformity increased by 0.58 ± 0.04), and the rotational electric field could achieve a three-dimensional uniform distribution (the index of uniformity increased by 42%). This study provides theoretical support for the regulation of brine behavior and the optimization of geological energy storage. Full article

Long-term aging deteriorates asphalt’s self-healing capacity, yet the molecular mechanisms of bio-oil rejuvenation remain unclear. The fluidity and healing index of an asphalt binder were tested using a dynamic shear rheometer, and a healing model was established using molecular dynamics software to analyze the movement state. The results show that after adding the bio-oil, the healing index of aged asphalt increases significantly, lowering the optimal healing temperature by 10.1 °C. MD simulations demonstrate that bio-oil weakens van der Waals forces (with a 15.3% reduction in non-bonded energy) to enhance molecular diffusion, with a critical healing distance of 0.87 Å and aggregation at 1.11 Å. The bio-oil reduces the activation energy for healing from 4.97 kJ/mol (aged asphalt) to 3.75 kJ/mol. Molecular dynamics simulations can effectively aid scholars in understanding the asphalt healing process and movement patterns. Full article

In this paper, the first demonstration of a highly strained In_0.8Ga_0.2As/In_0.2Ga_0.8Sb type-II superlattice structure grown on InAs substrates by molecular beam epitaxy (MBE) for long-wavelength infrared detection was reported. Novel methodologies were developed to optimize the As and Sb flux growth conditions. The quality of the epitaxial layer was characterized using multiple analytical techniques, including differential interference contrast microscopy, atomic force microscopy, high-resolution X-ray diffraction, and high-resolution transmission electron microscopy. The high-quality superlattice structure, with a total thickness of 1.5 μm, exhibited exceptional surface morphology with a root-mean-square roughness of 0.141 nm over a 5 × 5 μm² area. Single-element devices with PIN architecture were fabricated and characterized. At 77 K, these devices demonstrated a 50% cutoff wavelength of approximately 12.1 μm. The long-wavelength infrared PIN devices exhibited promising performance metrics, including a dark current density of 7.96 × 10⁻² A/cm² at −50 mV bias and a high peak responsivity of 4.90 A/W under zero bias conditions, both measured at 77 K. Furthermore, the devices achieved a high peak quantum efficiency of 65% and a specific detectivity (D*) of 2.74 × 10¹⁰ cm·Hz^1/2/W at the peak responsivity wavelength of 10.7 µm. These results demonstrate the viability of this material system for long-wavelength infrared detection applications. Full article

Mechanosensitive ion channels such as OSCA1.2 enable cells to sense and respond to mechanical forces by translating membrane tension into ionic flux. While lipid rearrangement in the inter-subunit cleft has been proposed as a key activation mechanism, the contributions of other domains to OSCA gating remain unresolved. Here, we combined the genetic encoding of the photoactivatable crosslinker p-benzoyl-L-phenylalanine (BzF) with functional Ca²⁺ imaging and molecular dynamics simulations to dissect the roles of specific residues in OSCA1.2 gating. Targeted UV-induced crosslinking at positions F22, H236, and R343 locked the channel in a non-conducting state, indicating their functional relevance. Structural analysis revealed that these residues are strategically positioned: F22 interacts with lipids near the activation gate, H236 lines the lipid-filled cavity, and R343 forms cross-subunit contacts. Together, these results support a model in which mechanical gating involves a distributed network of residues across multiple channel regions, allosterically converging on the activation gate. This study expands our understanding of mechanotransduction by revealing how distant structural elements contribute to force sensing in OSCA channels. Full article

This study presents data from Reverse Osmosis (RO) and Nanofiltration (NF) spiral-wound polyamide modules tested in a semi-pilot plant with multicomponent mixtures of Volatile Fatty Acids (VFAs) comprising acetic, propionic, butyric, valeric, and hexanoic acids. A robust method combining film theory and dissociation equilibria was developed to estimate interfacial concentrations, enabling accurate analysis of concentration polarization, real rejection, and effective transmembrane driving force. Concentration polarization strongly affects NF membranes, resulting in real rejections up to 20% higher than apparent values, while its effect is negligible for RO membranes. NF rejections show marked sensitivity to pH and VFA feed concentration: at 20 g/L and highest flux, acetic acid real rejection increases from 80% to 91% as pH rises from 6 to 9. At pH 7, rejections decline with feed concentration, with acetic acid dropping from 55% at 20 g/L to 32% at 63 g/L, at the same flux. These changes correlate with the molecular weight of the acids. Conversely, RO rejections are marginally affected by pH and not influenced by concentration due to dominant steric exclusion. Membrane permeabilities remain unaffected by VFAs and align with pure water values. The data analysis framework is effective and applicable across a wide range of conditions and membranes. Full article