Search Results (45)

The tumor microenvironment (TME) plays a central role in cancer progression, with tumor-associated macrophages (TAMs) and extracellular matrix (ECM) components such as collagen being key modulators of invasiveness and immune regulation. Although macrophage infiltration and ECM remodeling are well-documented individually, their coordinated contribution to mammary carcinoma aggressiveness remains underexplored, particularly in comparative oncology models. This study analyzed 117 mammary carcinoma samples—59 from dogs and 58 from women—using immunohistochemistry, immunofluorescence, and second-harmonic-generation (SHG) microscopy. We quantified TAM density and phenotype (CD206, iNOS, and S100A8/A9), assessed collagen fiber organization, and examined correlations with clinical–pathological variables and overall survival. Increased TAM infiltration was associated with a higher histological grade, aggressive molecular subtypes, enhanced cell proliferation, and shortened survival in dogs. High TAM density also correlated with decreased collagen fiber length and increased alignment, suggesting active immune–matrix remodeling in aggressive tumors. Macrophage phenotyping revealed heterogeneous populations, with CD206⁺ cells predominating in high-grade tumors, while S100A8/A9⁺/iNOS⁺ phenotypes were enriched in less aggressive subtypes. The findings were consistent across species, reinforcing the relevance of canine models. Our results identify macrophage–collagen interactions as critical determinants of tumor aggressiveness in mammary carcinomas. This study bridges comparative oncology and translational research by proposing immune–ECM signatures as potential prognostic biomarkers and therapeutic targets. These insights contribute to the advancement of molecular oncology in Brazil by supporting innovative strategies that integrate immune modulation and matrix-targeted interventions in breast cancer. Full article

The rising incidence of early-onset colorectal cancer (EOCRC), particularly among underrepresented populations, highlights the urgent need for tools that can uncover clinically meaningful, population-specific genomic alterations. The phosphoinositide 3-kinase (PI3K) pathway plays a key role in tumor progression, survival, and therapeutic resistance in colorectal cancer (CRC), yet its impact in EOCRC remains insufficiently explored. To address this gap, we developed AI-HOPE-PI3K, a conversational artificial intelligence platform that integrates harmonized clinical and genomic data for real-time, natural language-based analysis of PI3K pathway alterations. Built on a fine-tuned biomedical LLaMA 3 model, the system automates cohort generation, survival modeling, and mutation frequency comparisons using multi-institutional cBioPortal datasets annotated with clinical variables. AI-HOPE-PI3K replicated known associations and revealed new findings, including worse survival in colon versus rectal tumors harboring PI3K alterations, enrichment of INPP4B mutations in Hispanic/Latino EOCRC patients, and favorable survival outcomes associated with high tumor mutational burden in FOLFIRI-treated patients. The platform also enabled context-specific survival analyses stratified by age, tumor stage, and molecular alterations. These findings support the utility of AI-HOPE-PI3K as a scalable and accessible tool for integrative, pathway-specific analysis, demonstrating its potential to advance precision oncology and reduce disparities in EOCRC through data-driven discovery. Full article

High-order harmonic generation provides a powerful tool for probing ultrafast chemical dynamics, such as electron transfer, bond breaking, and molecular structural changes, with attosecond temporal resolution. The strong laser fields used in HHG can also directly influence chemical reaction pathways and rates, enabling coherent control of reaction selectivity. However, enhancing the efficiency of harmonic emission remains a critical challenge in ultrafast science. In this study, we investigate the effects of molecular size and orientation on HHG efficiency using time-dependent density functional theory simulations. By analyzing the linear molecules ${\mathrm{C}}_{18}{\mathrm{H}}_2$, ${\mathrm{C}}_2{\mathrm{H}}_2$, and C₁₀H₂ under linearly polarized laser fields, we demonstrate that larger molecular sizes significantly enhance harmonic emission intensity. Our results reveal that ${\mathrm{C}}_{18}{\mathrm{H}}_2$, with its larger spatial dimensions, exhibits substantially higher harmonic intensity compared to smaller molecules like ${\mathrm{C}}_2{\mathrm{H}}_2$. This enhancement is further supported by examining charge redistribution and bond length changes during the HHG process. Additionally, we validate our findings with C₁₀H₂, a molecule of intermediate size, confirming the correlation between molecular size and harmonic efficiency. Full article

Molecular alignment under strong laser pulses is an important tool for manipulating quantum states and investigating ultrafast phenomena. This review summarizes two decades of advancement in laser-driven alignment techniques, such as cross-polarized double pulses, optical centrifuges, and elliptically truncated fields. Given the prominent emphasis on transformational applications in current alignment research, we outline its importance in cutting-edge applications under strong laser pulses, such as chiral discrimination, high-harmonic generation (HHG), photoelectron angular distributions (PADs) and ionization yields in photoionization, and Terahertz (THz) manipulation. These interdisciplinary developments provide fundamental insights into ultrafast molecular dynamics. They also establish frameworks for advanced light–matter interaction control. Full article

The precise fabrication of semiconductor-based photonic crystals with tailored optical properties is critical for advancing photonic devices. GaP(111) is a material of particular interest due to its high refractive index, wide optical bandgap, and pronounced optical anisotropy, offering unique opportunities for photonic applications. Its near-lattice matching with silicon substrates further facilitates integration with existing silicon-based technologies. In this study, we present the growth of high-quality GaP(111) thin films using gas-source molecular-beam epitaxy (GSMBE), achieving atomically smooth terraces for the homo-epitaxy of GaP(111). We demonstrate the fabrication of photonic crystal cavities from GaP(111), employing AlGaP(111) as a sacrificial layer, and achieve a quality factor of 1200 for the cavity mode with resonance around 1500 nm. This work highlights the potential of GaP(111) for advanced photonic architectures, particularly in applications requiring strong light confinement and nonlinear optical processes, such as second-harmonic and sum-frequency generation. Full article

Environmental pollution from organic dyes such as malachite green and rhodamine B poses significant threats to ecosystems and human health due to their toxic properties. The rapid detection of these contaminants with high sensitivity and selectivity is crucial and can be effectively achieved using nonlinear optical methods. In this study, we combine the Simplified Bond Hyperpolarizability Model (SBHM) and molecular docking (MD) simulations to investigate the Second-Harmonic Generation (SHG) intensity of organic dyes on a silicon (Si(001)) substrate for nanoscale pollutant detection. Our simulations show good agreement with rotational anisotropy (RA) SHG intensity experimental data across all polarization angles, with a total error estimate of 3%. We find for the first time that the SBHM not only identifies the different organic pollutant dyes on the surface, as in conventional SHG detection, but can also determine their relative orientation and different concentrations on the surface. Meanwhile, MD simulations reveal that rhodamine B shows a strong adsorption affinity of $-10.4\mathrm{kcal}/\mathrm{mol}$ to a single-layer graphene oxide (GO) substrate, primarily through $\pi$-$\pi$ stacking interactions (36 instances) and by adopting a perpendicular molecular orientation. These characteristics significantly enhance SHG sensitivity. A nonlinear susceptibility analysis reveals good agreement between the SBHM and group theory. The susceptibility tensors confirm that the dominant contributions to the SHG signal arise from both the molecular structure and the surface interactions. This underscores the potential of GO-coated silicon substrates for detecting trace levels of organic pollutants with interaction distances ranging from $3.75\AA$ to $5.81\AA$. This approach offers valuable applications in environmental monitoring, combining the sensitivity of SHG with the adsorption properties of GO for nanoscale detection. Full article

The molecular laser-induced plasma (LIP) produced during the ablation of silver sulfide (Ag₂S) was used as a medium for high-order harmonic generation in the extreme ultraviolet range. The role of LIP formation, the plasma components, and the geometry of plasma in the harmonic conversion efficiency was analyzed. We also analyzed the influence of the driving pulses (chirp, single-color pump, two-color pump, and delay between heating and converting pulses) on the harmonic yield in Ag₂S LIP. The application of molecular plasma was compared with the application of atomic plasma, which comprised similar metallic elements (Ag) as well as other metal LIPs. The harmonics from the Ag₂S LIP were 4 to 10 times stronger than those from the Ag LIP. The harmonics up to the 59th order were achieved under the optimal conditions for the molecular plasma. Full article

By numerically solving the time-dependent Schrödinger equation, we study high-order harmonic generation from the asymmetric diatomic molecule HeH²⁺ in a corotating two-color circularly polarized laser field. Our results reveal a strong correlation between the molecule orientation and the harmonic yield. The harmonics in the plateau region can achieve an intensity modulation of one to two orders of magnitude with the change in the orientation angle. Through the time-dependent evolution of ionized electron wave packets combined with the analysis of the transition dipole moment between the continuum and bound states, the modulation of the harmonic strength may be attributed to the difference in the recollision angle of ionized electron wave packets relative to the molecules. In addition, the harmonic ellipticity is also affected by the molecular orientation. Notably, we found that the harmonic with greater ellipticity and higher intensity can be obtained with an orientation angle of 147°. These findings open up new avenues for achieving enhanced efficiency, the near-circular polarization of harmonics, and precise control over harmonic polarization states. Full article

Two-photon excitation microscopy (TPM) and multiphoton fluorescence microscopy (MPM) are advanced forms of intravital high-resolution functional microscopy techniques that allow for the imaging of dynamic molecular processes and resolve features of the biological tissues of interest. Due to the cornea’s optical properties and the uniquely accessible position of the globe, it is possible to image cells and tissues longitudinally to investigate ocular surface physiology and disease. MPM can also be used for the in vitro investigation of biological processes and drug kinetics in ocular tissues. In corneal immunology, performed via the use of TPM, cells thought to be intraepithelial dendritic cells are found to resemble tissue-resident memory T cells, and reporter mice with labeled plasmacytoid dendritic cells are imaged to understand the protective antiviral defenses of the eye. In mice with limbal progenitor cells labeled by reporters, the kinetics and localization of corneal epithelial replenishment are evaluated to advance stem cell biology. In studies of the conjunctiva and sclera, the use of such imaging together with second harmonic generation allows for the delineation of matrix wound healing, especially following glaucoma surgery. In conclusion, these imaging models play a pivotal role in the progress of ocular surface science and translational research. Full article

In this study, the plasmon-enhanced high-order harmonic generation (HHG) of H-terminated finite-sized armchair single-walled carbon nanotubes (SWCNTs) near Ag nanoparticles is investigated systematically. Multiscale methods that combine the real-time time-dependent Hartree–Fock (TDHF) approach at the semi-empirical intermediate neglected differential overlap (INDOS) Hamiltonian level for molecular electronic dynamics with the finite-difference time-domain (FDTD) and solving Maxwell’s equations are used. It is found that for intact CNTs, HHG is significantly enhanced due to plasmon resonance. However, the nonlinear optical properties are saturated when the tube length increases enough in the inhomogeneous near-field. For long CNTs, the large gradient of a near-field is unfavorable for the nonlinear excitation of electrons. But defects can further change the properties of the spectra. The HHG of hybrid systems can be enhanced very clearly by introducing vacancy defects in CNTs. This enhancement is affected by the energy and intensity of the incident light, the near-field gradient, and the number and location of defects. Full article

Thermally assisted occupation density functional theory (TAO-DFT) has been an efficient electronic structure method for studying the ground-state properties of large electronic systems with multi-reference character over the past few years. To explore the time-dependent (TD) properties of electronic systems (e.g., subject to an intense laser pulse), in this work, we propose a real-time (RT) extension of TAO-DFT, denoted as RT-TAO-DFT. Moreover, we employ RT-TAO-DFT to study the high-order harmonic generation (HHG) spectra and related TD properties of molecular hydrogen ${\mathrm{H}}_2$ at the equilibrium and stretched geometries, aligned along the polarization of an intense linearly polarized laser pulse. The TD properties obtained with RT-TAO-DFT are compared with those obtained with the widely used time-dependent Kohn–Sham (TDKS) method. In addition, issues related to the possible spin-symmetry breaking effects in the TD properties are discussed. Full article

The field of ultrafast science has experienced significant growth over the last decade, largely attributed to advancements in optical and laser technologies such as chirped-pulse amplification and high-harmonic generation. The distinctive characteristics of intense ultrafast free-electron lasers (FELs) have introduced novel prospects for investigating molecular dynamics, as well as providing an opportunity to gain deeper insights into nonlinear processes in materials. Therefore, high-power ultrafast FELs can be widely used for both fundamental research and practical applications. This study presents a novel approach for producing high-power femtosecond FEL pulses, utilizing chirped-pulse amplification in echo-enabled harmonic generation. Chirped seed pulses are employed to induce frequency-chirped energy modulation in the electron beam. The generated FEL pulse, which inherits the chirped frequency, can be compressed through the gratings in the off-plane mount geometry to provide ultraintense ultrafast pulses. The numerical modeling results indicate that peak power exceeding 20 GW and a pulse duration in the order of several femtoseconds can be achieved. Full article

The studies of the high-order harmonics generated in Se-containing plasmas are reported. The ablation of selenium in a vacuum allowed for the formation of a plasma demonstrating high-order harmonics generation and resonance enhancement of the harmonic at the shortest wavelength reported so far (λ ≈ 22.9 nm, E_ph ≈ 54.14 eV). This harmonic corresponds to the 35th order of the 800-nm-class lasers. The influence of the presence of selenium in the molecular state (ZnSe and HgSe) on the suppression of the resonance effect during harmonics generation in plasma is studied. The enhanced 35th harmonic was analyzed by different methods of plasma formation using nanosecond, picosecond, and femtosecond pulses. The enhancement factor of the resonance-enhanced harmonic was measured to be 32× compared with the neighboring lower-order harmonics in the case of the picosecond-pulses-induced Se plasma. The role of the strong ionic transition of Se in the region of 22.7 nm in the observation of the resonance-induced enhancement of a single harmonic is discussed. Full article

Ultrafast mid-infrared fiber lasers have been intensely studied in the last decade for the generation of high harmonics, molecular spectroscopy, material processing and remote sensing. Different designs have been investigated but most of them lacked the ease of use and reliability needed for their democratization. In this paper, we demonstrate a self-starting mode-locked mid-IR erbium-doped fiber laser based on a SESAM and a broadband uniform FBG that produces pulses as short as 15 ps. Different laser cavities were tested with varying FBG peak reflectance, spectral bandwidth and active fiber length. In addition, one cavity uses a pump combiner instead of injecting free-space the pump power through the fiber tip. The results of this study confirm that the FBG spectral bandwidth can efficiently control the duration of the almost Fourier-transform-limited pulses up to a limit seemingly dictated by the presence of water vapor in the laser cavity acting as narrow spectral filters. To a lower effect, the active fiber length influences the pulse duration. Finally, the use of an all-fiber pump combiner allows for a more compact and rugged design without altering the laser performances. This study represents a step towards the development of robust mid-infrared ultrafast all-fiber lasers. Full article

A polymorph of glycyl-L-alanine HI.H₂O is synthesized from chiral cyclo-glycyl-L-alanine dipeptide. The dipeptide is known to show molecular flexibility in different environments, which leads to polymorphism. The crystal structure of the glycyl-L-alanine HI.H₂O polymorph is determined at room temperature and indicates that the space group is polar (P2₁), with two molecules per unit cell and unit cell parameters a = 7.747 Å, b = 6.435 Å, c = 10.941 Å, α = 90°, β = 107.53(3)°, γ = 90° and V = 520.1(7) ų. Crystallization in the polar point group 2, with one polar axis parallel to the b axis, allows pyroelectricity and optical second harmonic generation. Thermal melting of the glycyl-L-alanine HI.H₂O polymorph starts at 533 K, close to the melting temperature reported for cyclo-glycyl-L-alanine (531 K) and 32 K lower than that reported for linear glycyl-L-alanine dipeptide (563 K), suggesting that although the dipeptide, when crystallized in the polymorphic form, is not anymore in its cyclic form, it keeps a memory of its initial closed chain and therefore shows a thermal memory effect. Here, we report a pyroelectric coefficient as high as 45 µC/m²K occurring at 345 K, one order of magnitude smaller than that of semi-organic ferroelectric triglycine sulphate (TGS) crystal. Moreover, the glycyl-L-alanine HI.H₂O polymorph displays a nonlinear optical effective coefficient of 0.14 pm/V, around 14 times smaller than the value from a phase-matched inorganic barium borate (BBO) single crystal. The new polymorph displays an effective piezoelectric coefficient equal to ${\mathrm{d}}_{\mathrm{e}\mathrm{f}\mathrm{f}}=280\mathrm{p}\mathrm{C}{\mathrm{N}}^{-1}$, when embedded into electrospun polymer fibers, indicating its suitability as an active system for energy harvesting. Full article