Browse Articles

Bohmian mechanics remains unchallenged by tunnelling experiment

Class prototype rectification and multi-scale feature measurement for few-shot classification of bearing surface defects

Evolution of photoluminescence and Raman spectra in laterally gradient composition Mo1− <i>x</i> W <i>x</i> S2 alloys

Alloying two-dimensional semiconductors holds great promise to tailor electronic and optical properties for device applications. In this study, we report the synthesis of monolayer Mo1−xWxS2 alloys with a laterally gradient composition using an improved one-step chemical vapor deposition method. With increasing W composition, the intensity of exciton peak A exhibits a slow increase followed by a near-exponential enhancement, resulting in a significantly enhanced photoluminescence efficiency and a nonlinear blueshift of the peak. First-principles calculations reveal that this nonlinear blueshift is due to the predominant regulation of the conduction band by the Mo atom over a broad composition range. Furthermore, the asymmetry evolution within the conduction band can be attributed to the Mo-dz2 and W-dz2 orbital hybridizations in Mo1−xWxS2 alloys. At high W composition, the Raman spectra exhibit four peaks. The newly emerged A1g-mixed peak originates from the splitting of A1g peak in monolayer MoS2, corresponding to other out-of-plane vibrational modes of S atoms induced by W atoms. Furthermore, the evolution of Raman spectra is driven by lattice distortions and alterations in atomic vibrational modes. This work unravels the mechanism of composition-gradient-tuned electronic and optical properties of 2D Mo1−xWxS2 alloys, which could facilitate the development of next-generation electronic and optoelectronic devices.

Ten Years of Hydroxyurea for Ugandan Children with Sickle Cell Anemia

Erdosteine modulates surfactant-associated markers and preserves lung architecture in a preterm rat model compared with dexamethasone and betamethasone

Abstract Preterm birth remains a major contributor to neonatal morbidity, primarily due to immature lung development and insufficient surfactant production. Although antenatal corticosteroids (ACS) are widely used to accelerate fetal lung maturation, concerns regarding their potential systemic effects have prompted the search for alternative or adjunctive agents. Erdosteine, a thiol-based compound with anti-inflammatory and antioxidant properties, may represent a promising candidate. Pregnant Sprague–Dawley rats were randomly assigned to four groups ( n  = 6 dams per group): control, dexamethasone (DEX), betamethasone (BET), and erdosteine (ERDO). All treatments were administered antenatally to the pregnant dams via intraperitoneal injection. DEX and BET were given on gestational days (GD) 16–18, while ERDO was administered on GD16–20. Preterm delivery was achieved by cesarean section on GD20. Lung tissues of pups born to treated dams were collected on postnatal day 5 (P5) and analyzed using histopathological and immunohistochemical methods, including Caspase-3, PCNA, ABCA3 (ATP-binding cassette subfamily A member 3), SFTPA1, AQP5, and SP-B. DEX and BET groups demonstrated lung architecture consistent with accelerated maturation, whereas ERDO preserved alveolar structure with only mild interstitial inflammation. Caspase-3 and PCNA expression were markedly increased in corticosteroid-treated groups but remained low in ERDO and control groups. Notably, ABCA3 expression was highest in the ERDO group across both compartments ( p  &lt; 0.001). SFTPA1 expression was also more prominent in the interstitial compartment in the ERDO group. AQP5 and SP-B showed no significant expression in any group. Erdosteine demonstrated a biologically favorable profile characterized by reduced inflammatory response, preservation of lung architecture, and enhanced expression of key surfactant-related markers, particularly ABCA3. While not fully replicating the effects of antenatal corticosteroids, its anti-inflammatory and antioxidant properties suggest that it may serve as a supportive or complementary strategy for promoting fetal lung maturation. Further experimental and translational studies are warranted.

Coarse-grained modeling of hydrodynamic behavior in DNA synthesis monomers

Efficient DNA synthesis is crucial for advancements in DNA data storage and synthetic biology, yet the micro-scale dynamics of nucleotide monomers in solution, particularly their diffusion, are not fully understood. Here, we present a novel four-bead coarse-grained (CG) model for DMT (dimethoxytrityl)-protected nucleotide monomers, meticulously validated via Boltzmann inversion. This CG approach dramatically enhances computational efficiency (≥20×) compared to all-atom models, thus enabling simulations on significantly larger spatiotemporal scales. Using the stochastic Eulerian Lagrangian method to accurately model fluid–solid interactions, our simulations in acetonitrile reveal that monomer diffusion significantly decreases with increasing concentration due to enhanced intermolecular interactions. Channel walls impose substantial, concentration-dependent restrictions, especially perpendicular to the wall. Crucially, adenine and thymine monomers diffuse slower than cytosine and guanine monomers, providing a kinetic basis for variations in mass transfer efficiency during DNA synthesis. This study offers a new perspective for profoundly understanding the micro-dynamics during DNA synthesis, providing a potential way for optimizing synthesis parameters and advancing DNA data storage technology.

Molecular basis for methylation-sensitive editing by Cas9

Factors associated with survival of extremely preterm infants and development of a nomogram: a 9-year single-center study in China

Abstract To investigate the clinical characteristics and factors associated with outcomes in extremely preterm infants with a gestational age &lt; 28 weeks, and to develop a nomogram-based prediction model to support clinical decision-making in neonatal intensive care. We retrospectively collected clinical data from 722 extremely preterm infants admitted to a neonatal intensive care unit between January 2016 and December 2024. The cohort was randomly divided into a training set and a testing set at a ratio of 7:3. Univariate and multivariate logistic regression analyses were performed to identify independent factors associated with in-hospital mortality. A nomogram was constructed based on the multivariate model. The predictive performance of the model was evaluated using the receiver operating characteristic (ROC) curve, calibration curve, and decision curve analysis (DCA). This study included a total of 722 extremely preterm infants, of whom 390 survived to discharge and 332 died. Variables with statistical significance in univariate analyses were entered into multivariate logistic regression. Gestational age, a 1-minute Apgar score of 0–3, used of pulmonary surfactant, used of vasoactive drugs, and pulmonary hemorrhage were identified as independent factors associated with in-hospital mortality. The nomogram demonstrated excellent discrimination, with areas under the ROC curve (AUCs) of 0.969 and 0.953 in the training and testing sets, respectively. The sensitivity and specificity were 0.914 and 0.974 in the training set, and 0.838 and 0.966 in the testing set. The Hosmer–Lemeshow test indicated good calibration (χ² = 8.481, P  = 0.388 in the training set; χ² = 10.011, P  = 0.264 in the testing set). Decision curve analysis showed that the nomogram provided a favorable net benefit across a wide range of threshold probabilities. The nomogram developed in this study demonstrated good discrimination, calibration, and clinical utility for predicting mortality in extremely preterm infants. This model may serve as a practical tool for individualized risk assessment and early clinical intervention.

On the behavior of different contributions to the excitonic coupling at short intermolecular separations

The treatment of large molecules by high-level quantum chemical methods requires either localization schemes or multilevel methods. However, the description of multichromophore systems poses a challenge for these schemes due to the spatial separation of the excitation events. An often applied technique is based on the fragmentation of the system with the inclusion of excitonic coupling between the fragments holding the chromophores. In this paper, we discuss some aspects of this latter methodology. Three contributions to the excitonic coupling will be discussed. The Coulomb coupling is the dominating component at large distances and is often used as the sole contribution. The exchange term is sometimes also evaluated, but it seems to be important only at short distances. Finally, there is also a term arising from the overlap of the fragment wave functions, which needs to be included when diagonalizing the Hamiltonian of coupled excitons. In this study, we investigate the distance dependence of these terms for π-stacked molecular pairs and evaluate their relative importance. We also investigate how the numerical value of these contributions depends on the level of quantum chemical calculation (CIS, CC2, or EOM-CCSD) and also show the role of diffuse basis functions.

Tuning the electronic and photovoltaic properties of naphthalene diamine through molecular engineering with efficient acceptors: a quantum chemical study

Erratum: “Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations” [J. Chem. Phys. 160, 204104 (2024)]

Why Africa’s low rate of lung cancer is an illusion

Estimation of diameter, mass and volume of Lanzhou lily bulbs based on YOLO instance segmentation

Desmearing Bonse–Hart USANS data using Bayesian Gaussian process regression

Ultra-small-angle neutron scattering (USANS) enables access to micrometer-scale structures but is intrinsically affected by strong, anisotropic resolution smearing arising from slit-geometry optics. As a result, recovery of the intrinsic scattering intensity constitutes an ill-posed inverse problem, and commonly used iterative desmearing methods lack rigorous uncertainty quantification. We present a Bayesian desmearing framework for slit-geometry USANS based on Gaussian process regression. In this approach, the scattering intensity is modeled as a smooth random function, and the instrumental point spread function is incorporated explicitly as a forward operator. The resulting formulation yields a closed-form maximum a posteriori solution with well-defined credibility intervals. Computational benchmarks and experimental validation using combined USANS and small-angle neutron scattering (SANS) measurements demonstrate that the framework enables stable desmearing, suppresses experimental noise, and preserves physically meaningful structural features under realistic conditions.

A spatial atlas of the healthy human liver from live donors

A low component count high step up DC–DC converter using a coupled inductor

Abstract This paper introduces a non-isolated DC–DC boost converter specifically designed for renewable-energy applications, emphasizing low input-current ripple and a reduced number of components. The topology incorporates a coupled inductor with two windings, allowing the converter to achieve very high voltage step-up ratios at relatively modest duty cycles. Operating at lower duty ratios helps decrease conduction losses in the main switch and contributes to improved overall efficiency. The voltage conversion gain of the proposed high-step-up converter can be readily adjusted through two independent design parameters: the duty cycle of the primary switching device and the turns ratio of the coupled-inductor windings. This dual degree of freedom provides considerable design flexibility for meeting diverse application requirements. The proposed converter offers several notable benefits, including extremely high voltage amplification, reduced voltage stress on power semiconductor devices, a continuous input current profile, and a shared ground reference between the input source and the load. Furthermore, the use of a minimal number of components particularly semiconductor devices enhances efficiency and simplifies implementation. The topology also employs synchronized switching, which streamlines the control strategy and further improves performance. A detailed analysis of the converter’s operating principle is presented, covering its various switching modes. To demonstrate its advantages, the proposed design is systematically compared with conventional high-gain converter topologies. Experimental verification is carried out using a 400 W laboratory prototype operating at a switching frequency of 50 kHz, which successfully steps up a 29 V input to a regulated 400 V output, thereby validating both the analytical results and the practical feasibility of the converter.

Field-induced phase transitions in ferro-antiferromagnetic diblock copolymers

We study the equilibrium properties of a model of magnetic diblock copolymer where each monomer is decorated with an Ising-like spin. Spins interact ferromagnetically within each block and antiferromagnetically across blocks, generating frustration between magnetic ordering and spatial organization. By employing a mean-field approach and Monte Carlo simulations for self-avoiding walks on the cubic lattice, we investigate the system’s response to an external magnetic field. We discover a rich phase diagram that includes: a swollen phase with both filaments magnetically disordered and spatially extended; a mixed compact phase characterized by a single globule in which the two filaments are strongly intertwined; a segregated compact phase composed of two globular, magnetically ordered, and spatially separated blocks. Furthermore, if the magnitude of the intra-block ferromagnetic interaction differs between the two blocks, we observe a hybrid segregated (“tadpole”) phase where one extended block coexists with a collapsed one. Mean-field predictions of the location of the phase boundaries are in quantitative agreement with Monte Carlo results. These findings provide a minimal statistical–mechanical framework for field-controlled self-assembly of tunable patterns by magnetically heterogeneous polymers, which may also serve as a simple platform for future investigations of the coupling between internal epigenetic-like states and chromatin folding.

Detection of antibodies to avian influenza virus H5N1 clade 2.3.4.4b in naturally infected cattle for more than a year

Incompressibility and the symmetry of pressure-fluctuation correlations in polymeric liquids

We point out that, under the incompressibility constraint, the two-time pressure-fluctuation correlator of polymeric liquids becomes an isotropic, symmetric, and pair-index-traceless fourth-rank tensor. As a consequence, the self- and cross correlations of normal pressure fluctuations are strictly proportional to the shear pressure correlation, with universal prefactors of 4/3 and −2/3, respectively, for equilibrium dynamics in the long-time limit. By contrast, this symmetry structure is violated in a broad class of polymer models, including the Rouse and slip-link models, which predict incorrect relative weights between normal pressure-fluctuation correlations and shear pressure correlation. This observation suggests that the pressure tensor generated by these models must be projected onto the traceless symmetric subspace to recover hydrodynamically consistent behavior.

The cytoskeletal regulator Coronin-1A plays a multidirectional role in glioblastoma stemness

Abstract Glioblastoma (GBM) recurrence is driven by therapy-resistant cells that escape surgical detection and withstand subsequent chemoradiotherapy. However, the molecular basis connecting invasion, metabolic detectability, and treatment resistance remains elusive. Here, we identify Coronin-1A (Coro1A), a cytoplasmic actin-associated regulator, as a multidirectional modulator of cancer stemness in GBM. Across six patient-derived GBM lines, Coro1A mRNA expression strongly correlated with both cell motility and the proportion of 5-aminolevulinic acid (5-ALA)–negative cells, and high Coro1A levels predicted significantly poorer prognosis in recurrent GBM cases. To assess its function, Coro1A-knockdown clones were generated from a recurrent GBM–derived culture (PDM123). Silencing Coro1A significantly reduced migration and modestly decreased proliferation, with the extent of motility reduction correlating with residual Coro1A expression. Importantly, knockdown enhanced intracellular accumulation of protoporphyrin IX (PpIX) under 5-ALA treatment, even in highly motile cells, indicating that Coro1A simultaneously governs invasiveness and intraoperative fluorescence detectability. Furthermore, Coro1A depletion increased sensitivity to temozolomide (TMZ) and X-ray irradiation, revealing its critical contribution to therapy resistance. Collectively, these findings establish Coro1A as a central cytoskeletal regulator that unifies invasion, diagnostic escape, and therapeutic resilience—highlighting its potential as a curative target capable of dismantling the multifaceted resistance of GBM.