Search Results (113)

We investigate the quantum dynamics of entanglement and fidelity in the hyperfine structure of hydrogen atoms under dephasing noise, modeled via the Lindblad master equation. The effective Hamiltonian captures the spin–spin interaction between the electron and proton, with dephasing incorporated through local Lindblad operators. Analytical solutions for the time-dependent density matrix are derived for various initial states, including separable, partially entangled, and maximally entangled configurations. Entanglement is quantified using the concurrence, while fidelity measures the similarity between the evolving state and the initial state. Numerical results demonstrate that entanglement exhibits oscillatory decay modulated by the dephasing rate, with anti-parallel spin states displaying greater robustness compared to parallel configurations, often leading to entanglement sudden death. Fidelity dynamics reveal similar damped oscillations, underscoring the interplay between coherent hyperfine evolution and environmental dephasing. These insights elucidate strategies for preserving quantum correlations in atomic systems, with implications for quantum information processing and metrology. Full article

This work presents the HX-responsiveness of the following heteroleptic donor–M–acceptor dithiolene complexes: Bu4N[MII(L1)(L2)] [M = Ni(1), Pd(2), Pt(3)], where L1 is the chiral acceptor ligand [(R)-α-MBAdto = chiral (R)-(+)α-methylbenzyldithio-oxamidate] and L2 is the donor ligand (tdas = 1,2,5-thiadiazole-3,4-dithiolato). Addition of hydrohalic acids induces a strong bathochromic shift and visible color change, which is fully reversed by ammonia (NH₃). Moreover, the sensing capability of 1 was further evaluated by deposition on a cellulose substrate. Exposure to HCl vapors induces an evident color change from purple to green, whereas successive exposure to NH₃ vapors fully restores the purple color. Remarkably, cellulose films of 1 were revealed to be excellent optical sensors against the response to triethylamine, which is a toxic volatile amine. Moreover, the HCl-responsiveness of the nonlinear optical properties of complexes 1, 2, and 3 embedded into a poly(methyl methacrylate) poled matrix was demonstrated. Reversible chemical second harmonic generation (SHG) switching is achieved by exposing the poled films to HCl vapors and then to NH₃ vapors. The SHG response ratio HCl–adduct/complex is significant (around 1.5). Remarkably, the coefficients of the susceptibility tensor for the HCl–adduct films are always larger than those of the respective free-complex films. Density Functional Theory (DFT) and time-dependent DFT calculations help in highlighting the structure–properties relationship. Full article

We investigate the quantum dynamics of coherence in the hyperfine structure of hydrogen atoms subjected to dephasing noise, modeled using the Lindblad master equation. The effective Hamiltonian describes the spin–spin interaction between the electron and proton, with dephasing introduced via Lindblad operators. Analytical solutions for the time-dependent density matrix are derived for various initial states, including separable, partially entangled, and maximally entangled configurations. Quantum coherence is quantified through the $l_1$-norm measures, while purity is evaluated to assess mixedness. Results demonstrate that coherence exhibits oscillatory decay modulated by the dephasing rate, with antiparallel spin states showing greater resilience against noise compared to parallel configurations. These findings highlight the interplay between coherent hyperfine dynamics and environmental dephasing, offering insights into preserving quantum resources in atomic systems for applications in quantum information science. Full article

In special relativity, particle trajectories, whether mass-bearing or not, can be traced on the Minkowski spacetime manifold in (3+1)D. Meantime, in quantum mechanics, trajectories in the phase space are not strictly outlined because coordinate and linear momentum cannot be measured simultaneously with arbitrary precision since they do not commute within the Hilbert space formalism. However, from the density matrix representing a quantum system, the extracted information still produces an imperative description of its properties and, furthermore, by appropriately reordering the matrix entries, additional information can be obtained from the same content. Adhering to this line of work, the paper investigates the definition and the meaning of velocity and speed in a typical quantum phenomenon, the disentanglement for a bipartite system when dynamical evolution is displayed in a (3+1)D pseudo-spacetime whose coordinates are constructed from combinations of entries to the density matrix. The formalism is based on the definition of a Minkowski manifold with compact support, where trajectories are defined following the same reasoning and formalism present in the Minkowski manifold of special relativity. The space-like and time-like regions acquire different significations referred to entangled-like and separable-like, respectively. The definition and the sense of speed and velocities of disentanglement follow naturally from the formalism. Depending on the dynamics of the physical state of the system, trajectories may meander between regions of entanglement and separability in the space of new coordinates defined on the Minkowski manifold. Full article

The utilization of sugarcane molasses (SCM), a byproduct of sugar refining, offers a promising bio-based alternative to conventional chemical admixtures in cementitious systems. This study investigates the effects of SCM at five dosage levels, 0.25%, 0.50%, 0.75%, 1.00%, and 1.25% by weight of cement, on cement mortar performance across fresh, mechanical, thermal, durability, and density criteria. A comprehensive experimental methodology was employed, including flow table testing, compressive strength (7, 14, and 28 days) and flexural strength measurements, embedded thermal sensors for real-time hydration monitoring, water absorption and chloride ion penetration tests, as well as 28-day density determination. Results revealed clear dose-dependent behavior, with SCM enhancing mortar flowability proportional to dosage, raising the spread diameter from 11.5 cm (control) to 20 cm at 1.25%. At 0.25% SCM, compressive strength (47.5 MPa at 28 days) and flexural strength (~2.9 MPa) were higher than those of the remaining SCM dosages, supported by sustained heat release and positive temperature differentials. However, dosages ≥ 0.5% drastically suppressed hydration kinetics and mechanical performance, with compressive strength falling below 10 MPa. Furthermore, high SCM content led to increased water absorption (up to 10.6%) and chloride permeability (CIP above 5100 C), while bulk density declined from 2250 kg/m³ to 2080 kg/m³ at 1.25% SCM. Statistical validation using one-way ANOVA confirmed that these differences across dosage levels were significant (p < 0.05), underscoring the importance of dosage optimization. This investigation confirms that low-dosage SCM (≤0.25%) can be an effective bio-additive, providing improved workability with negligible compromise in strength and durability. In contrast, higher dosages undermine matrix integrity and performance. Future work is recommended to assess long-term microstructural evolution, field exposure durability, and adaptability across diverse cementitious systems. Full article

Achieving precise drug release in the colon remains a key objective in therapies for inflammatory bowel disease (IBD). Natural polysaccharides, including high-amylose starch (HAS) and pectin, offer relevant characteristics for localized drug delivery due to their biocompatibility, biodegradability, and adaptability. In this work, high-esterified pectin (HEP) was incorporated during the retrogradation of HAS to further form cohesive films without the need for organic solvents or high temperatures. The resulting matrices showed improved mucoadhesive performance, particularly under colonic conditions, where hydrophobic ester groups in HEP enhanced tissue adherence. This feature is critical for prolonged residence time in inflamed mucosa. Variations in HEP content directly influenced matrix density, fluid interaction, and mechanical resistance, without compromising film integrity. The high degree of esterification limited pH-dependent swelling and promoted alternative release mechanisms potentially related to enzymatic degradation. Such behavior contrasts with traditional low-esterified pectin (LEP) systems, suggesting that HEP may act as a structural modifier rather than a neutral excipient. Despite its widespread use in food systems, HEP remains underexplored in pharmaceutical matrices, especially in combination with retrograded starch (RS). The physicochemical and biointerfacial properties observed here underscore their applicability for the rational design of colonic delivery systems and provide a foundation for formulation strategies tailored to chronic intestinal disorders. Full article

This study employs molecular orbital (MO) analysis, density of states (DOS) analysis, and advanced techniques such as charge density difference (CDD), transition density matrix (TDM), transition electric dipole moment density (TEDM), and transition magnetic dipole moment density (TMDM) to systematically investigate the electronic structure characteristics of Fc-[8]CPP and Fc-[11]CPP. Using density functional theory (DFT) and time-dependent DFT (TD-DFT), the π-electron delocalization properties and optical behaviors of these molecules were analyzed. Furthermore, their responses to external electromagnetic fields were explored through electronic circular dichroism (ECD) and Raman spectroscopy, comparing chiral optical responses and electron–vibration coupling effects to elucidate their photophysical properties. The results reveal that the HOMO-LUMO energy gaps of Fc-[8]CPP and Fc-[11]CPP are 5.81 eV and 5.95 eV, respectively, with a slight increase as ring size grows; Fc-[8]CPP exhibits a stronger chiral response, while Fc-[11]CPP shows reduced chirality due to enhanced symmetry. Finally, TD-DFT calculations demonstrate that their optical absorption is dominated by localized excitations with partial charge transfer contributions. These findings provide a theoretical foundation for designing conjugated macrocyclic materials with superior optoelectronic performance. Full article

In this research, a single composite-type stretchable triboelectric nanogenerator (TENG) is proposed for efficient energy harvesting and handwriting recognition. The composite TENGs were fabricated by blending dielectric barium titanate (BT) and conductive carbon nanotubes (CNTs) in varying amounts into a styrene–butadiene rubber matrix. The energy harvesting efficiency depends on the type and amount of fillers, as well as their dispersion within the matrix. Stearic acid modification of BT enables near-nanoscale filler distribution, resulting in high energy conversion efficiencies. The composite achieved power efficiency, power density, charge efficiency, and charge density values of 1.127 nW/N, 8.258 mW/m³, 0.146 nC/N, and 1.072 mC/m³, respectively, under only 2% cyclic compressive strain at 0.85 Hz. The material performs better at low stress–strain ranges, exhibiting higher charge efficiency. The generated charge in the TENG composite is well correlated with the compressive stress, which provides a minimum activation pressure of 0.144 kPa, making it suitable for low-pressure sensing applications. A flat composite with dimensions of 0.02 × 6 × 5 cm³ can produce a power density of 26.04 W/m³, a charge density of 0.205 mC/m³, and an output voltage of 10 V from a single hand pat. The rubber composite also demonstrates high accuracy in handwriting recognition across different individuals, with clear differences in sensitivity curves. Repeated attempts by the same person show minimal deviation (<5%) in writing time. Additionally, the presence of reinforcing fillers enhances mechanical strength and durability, making the composite suitable for long-term cyclic energy harvesting and wearable sensor applications. Full article

Tissue engineering enables autologous reconstruction of human tissues, addressing limitations in tissue availability and immune compatibility. Several tissue engineering techniques, such as self-assembly, rely on or benefit from extracellular matrix (ECM) secretion by fibroblasts to produce biomimetic scaffolds. Models have been developed for use in humans, such as skin and corneas. Ascorbic acid (vitamin C, AA) is essential for collagen biosynthesis. However, AA is chemically unstable in culture, with a half-life of 24 h, requiring freshly prepared AA with each change of medium. This study aims to demonstrate the functional equivalence of 2-phospho-L-ascorbate (2PAA), a stable form of AA, for tissue reconstruction. Dermal, vaginal, and bladder stroma were reconstructed by self-assembly using tissue-specific protocols. The tissues were cultured in a medium supplemented with either freshly prepared or frozen AA, or with 2PAA. Biochemical analyses were performed on the tissues to evaluate cell density and tissue composition, including collagen secretion and deposition. Histology and quantitative polarized light microscopy were used to evaluate tissue architecture, and mechanical evaluation was performed both by tensiometry and atomic force microscopy (AFM) to evaluate its macroscopic and cell-scale mechanical properties. The tissues produced by the three ascorbate conditions had similar collagen deposition, architecture, and mechanical properties in each organ-specific stroma. Mechanical characterization revealed tissue-specific differences, with tensile modulus values ranging from 1–5 MPa and AFM-derived apparent stiffness in the 1–2 kPa range, reflecting the nonlinear and scale-dependent behavior of the engineered stroma. The results demonstrate the possibility of substituting AA with 2PAA for tissue engineering. This protocol could significantly reduce the costs associated with tissue production by reducing preparation time and use of materials. This is a crucial factor for any scale-up activity. Full article

Xanthan gum (XG) is a biopolymer primarily composed of polysaccharides that is increasingly employed to stabilize problematic soils. Although promising results have been obtained in clayey soils, its effect on other geomaterials remains underexplored. This study investigates the impact of XG on the mechanical strength (q_u), stiffness (Go), and microstructure of compacted mixtures of soil and reclaimed asphalt pavement (RAP). A two-part mixing method was adopted: Initially, the XG was mixed with water to form a hydrosolution before mixing in the soil and subsequently combined with the soil–RAP mixture. Xanthan gum was incorporated at dosages of 0.5%, 1.0%, 1.5%, and 2.0% relative to the dry soil weight, while RAP contents were varied at 10%, 20%, and 30% on a dry soil basis. The compaction density was adjusted between 17 and 18 kN/m³, with an optimum moisture content of 18% as determined by the Proctor test. Specimens were cured in a humid chamber for 14 and 28 days. The experimental methodology included unconfined compression tests, ultrasonic pulse velocity measurements, and characterization using scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM–EDS). The findings show that the mechanical strength of the soil–RAP mixture increased with the incorporation of up to 1% XG, which was identified as the optimal dosage. The strength values declined at higher dosages (1.5% and 2.0%). Moreover, the highest strength and stiffness were achieved with a 10% RAP content, while mixtures containing 20% and 30% RAP exhibited reduced performance. Microstructural analysis revealed that at 1% XG, there was a pronounced interaction between the XG and the soil–RAP matrix; however, as the RAP content increased, the larger voids present led only to a moderate interaction between the materials. Additionally, a correlation between the stiffness parameter (Go) and the unconfined compressive strength (q_u) was established, showing that the Go/q_u ratio was dependent on the percentage of XG yet remained independent of curing time—a finding that contrasts with previous correlations for this type of soil that were unaffected by other factors. Full article

Secreted protein acidic rich in cysteine (SPARC), one of the extracellular matrix proteins, is highly induced during inflammation. We investigated the pathophysiological regulation and role of SPARC in vascular inflammation in a rat model of hypertension created using deoxycorticosterone acetate (DOCA, 40 mg/kg/week, s.c.) and salt (1% in drinking water). DOCA–salt administration time-dependently increased systolic blood pressure during the 3-week treatment period, blunted endothelium-dependent vasodilation, and increased monocyte chemoattractant protein-1 (MCP-1) and lectin-like oxidized low-density lipoprotein receptor-1 (LOX-1) expression in the aorta. SPARC expression transiently increased until week 2 in the DOCA–salt rat aorta. Interestingly, aortic SPARC levels correlated with blood pressure and the levels of MCP-1 and LOX-1 during 0–2 weeks. The AT₁ receptor blocker, losartan, suppressed the overexpression of SPARC, and in vitro treatment with angiotensin II enhanced the production of SPARC in rat aortic endothelial cells. Exposure to recombinant SPARC protein induced overexpression of MCP-1 and LOX-1 mRNA in endothelial cells. Bioactive forms of a disintegrin and metalloproteinase with thrombospondin type 1 motif (ADAMTS1), excessive activation of which contributes to pathological states and overexpression of which is reported to be induced by SPARC, were increased in the DOCA–salt rat aorta. These results suggest that SPARC is induced by the vascular renin–angiotensin system and causes inflammation in the early stages of hypertensive vascular injury, and that activation of ADAMTS1 might be related to the proinflammatory effects of SPARC. Full article

In our research aimed at replacing precious transition metals like platinum with abundant base metals such as nickel for efficient triplet emitters, we synthesized and studied Ni(II) complexes [Ni(L^NHR)Cl]. These complexes containing the N^C^N cyclometalating dipyridyl-phenide ligand, equipped with pending H-bonding amine groups (NH(C₆H₅) (L^NHPh) and NH(C₆H₅CH₂), ClL^NHBn). Molecular structures determined from experimental X-ray diffractometry and density functional theory (DFT) calculations in the ground state showed marked deviation of the Cl⁻ coligand (ancillary ligand) from the ideal planar coordination, with τ₄ values of 0.35 and 0.33, respectively, along with hydrogen bonding interactions of the ligand NH function with the Cl⁻ coligand. The complexes exhibit long-wavelength absorption bands at approximately 425 nm in solution, with the experimental spectra being accurately reproduced through time-dependent density functional theory (TD-DFT) calculations. Vibrationally structured emission profiles and steady-state photoluminescence quantum yields of 30% for [Ni(L^NHPh)Cl] and 40% for [Ni(L^NHBn)Cl] (along with dual excited state lifetimes in the ns and in the ms range) were found in frozen 2-methyl-tetrahydrofuran (2MeTHF) glassy matrices at 77 K. Furthermore, within a poly(methyl methacrylate) matrix, the complexes showed emission bands centered at around 550 nm within a temperature range from 6 K to 300 K with lifetimes similar to 77 K. Based on TD-DFT potential scans along the metal–ligand (Ni–N) coordinate, we found that in a rigid environment that restricts the geometry to the Franck-Condon region, either the triplet T₅ or the singlet S₄ state could contribute to the photoluminescence. Full article

This paper explores a novel group of D-π-A configurations that has been specifically created for organic solar cell applications. In these material compounds, the phenothiazine, the furan, and two derivatives of the thienyl-fused IC group act as the donor, the π-conjugated spacer, and the end-group acceptors, respectively. We assess the impact of substituents by introducing bromine atoms at two potential substitution sites on each end-group acceptor (EG1 and EG2). With the donor and π-bridge held constant, we have employed density functional theory and time-dependent DFT simulations to explore the photophysical and optoelectronic properties of tailored compounds (M1–M6). We have demonstrated how structural modifications influence the optoelectronic properties of materials for organic solar cells. Moreover, all proposed compounds exhibit a greater V_oc exceeding 1.5 V, a suitable HOMO-LUMO energy gap (2.14–2.30 eV), and higher dipole moments (9.23–10.90 D). Various decisive key factors that are crucial for exploring the properties of tailored compounds—frontier molecular orbitals, transition density matrix, electrostatic potential, open-circuit voltage, maximum absorption, reduced density gradient, and charge transfer length (D_index)—were also explored. Our analysis delivers profound insights into the design principles of optimizing the performance of organic solar cell applications based on halogenated material compounds. Full article

Dynamical symmetries, time-dependent operators that almost commute with the Hamiltonian, extend the role of ordinary symmetries. Motivated by progress in quantum technologies, we illustrate a practical algebraic approach to computing such time-dependent operators. Explicitly we expand them as a linear combination of time-independent operators with time-dependent coefficients. There are possible applications to the dynamics of systems of coupled coherent two-state systems, such as qubits, pumped by optical excitation and other addressing inputs. Thereby, the interaction of the system with the excitation is bilinear in the coherence between the two states and in the strength of the time-dependent excitation. The total Hamiltonian is a sum of such bilinear terms and of terms linear in the populations. The terms in the Hamiltonian form a basis for Lie algebra, which can be represented as coupled individual two-state systems, each using the population and the coherence between two states. Using the factorization approach of Wei and Norman, we construct a unitary quantum mechanical evolution operator that is a factored contribution of individual two-state systems. By that one can accurately propagate both the wave function and the density matrix with special relevance to quantum computing based on qubit architecture. Explicit examples are derived for the electronic dynamics in coupled semi-conducting nanoparticles that can be used as hardware for quantum technologies. Full article

The CT (computed tomography) scanner has been used for many years now not only for medical measurements but also in many industries, for example, in defectoscopy for measuring sheet thickness and checking the joining of materials, as well as for measuring the geometry of individual components. This type of scanner is a good complement to coordinate contact and non-contact measurements for intra-structural measurements and inaccessible places. The variety of materials, however, makes it very difficult to select individual CT parameters. In this paper, a curve for selecting the maximum and minimum voltage of the lamp depending on the density of a given material is determined and an interpolation polynomial (1d with a third-degree polynomial) is used, by defining third-degree glued functions (cubic spline) to determine intermediate voltage values to a given material density, so as to determine full data ranges. This approach can facilitate the work of selecting scanning parameters for non-destructive testing, as this is a difficult process and sometimes consumes half of the measurement time. The practical experiments were carried out at the Accredited Coordinate Metrology Laboratory to develop a multi-criteria matrix for selecting CT measurement parameters for measurement accuracy. This approach reduced the time by an average of half an hour and effectively optimized the selection of scanning parameters. Full article