Browse Articles

Erratum: “Insights from virtual chemistry: Shear and bulk viscosity of organic liquids via molecular simulations” [J. Chem. Phys. 162, 094502 (2025)]

Efficacy of focused ultrasound for HPV clearance and cervical LSIL treatment: a meta-analysis

Abstract Persistent high-risk human papillomavirus (hrHPV) infection is a major risk factor for high-grade squamous intraepithelial lesions (HSIL) and cervical cancer. Although HPV vaccines effectively prevent infections with vaccine-covered HPV types, they do not eliminate established infections. Additionally, not all HPV types associated with cervical cancer are covered by the vaccine. Therefore, treatment strategies for HPV-related cervical lesions remain an important clinical challenge. A systematic search was conducted in PubMed, EMBASE, Web of Science, and the Cochrane Library to identify studies evaluating the efficacy of focused ultrasound in treating HPV and cervical low-grade squamous intraepithelial lesions (LSIL). Ten eligible observational studies were included. Study quality was assessed using the MINORS criteria, and evidence quality was evaluated based on GRADE guidelines. A meta-analysis was performed using Stata 12.0 software. Focused ultrasound treatment led to HPV clearance in 74% of cases (ES = 0.74, 95% CI: 0.64–0.85, P  < 0.001). Additionally, 94% of women with LSIL histology before treatment had a normal cervical biopsy at follow-up (ES = 0.94, 95% CI: 0.92–0.97, P  < 0.001), and 87% of women with abnormal ThinPrep cytology (TCT) results had normal cytology at follow-up (ES = 0.87, 95% CI: 0.78–0.96, P  < 0.001). Compared to the observation group, focused ultrasound treatment was significantly more effective in clearing HPV (OR = 3.58, 95% CI: 2.21–5.81, P  < 0.001). Similarly, focused ultrasound was superior to interferon treatment for HPV clearance (OR = 4.22, 95% CI: 1.12–15.96, P  = 0.034). The quality of evidence across studies was rated as low to moderate. This meta-analysis demonstrates that focused ultrasound achieves a 74% HPV clearance rate and 94% LSIL resolution in women with cervical LSIL and concurrent hrHPV infection. While superior to observation and interferon, the evidence remains low-to-moderate due to the observational nature and geographic concentration of included studies. Future multicenter RCTs are essential to validate these results and assess long-term outcomes, including recurrence and obstetric safety.

Fragmentation dynamics of sulfur dioxide dication in intense femtosecond laser fields

We present an experimental study on the fragmentation dynamics of sulfur dioxide (SO2) under femtosecond laser irradiation. Using the fragment ions coincidence momentum imaging technique, two two-body and one three-body fragmentation channels of SO22+ are analyzed. For the three-body channel, four different dissociation mechanisms are determined unambiguously by analyzing the kinetic energy and momentum correlations, Dalitz plots, and the native frame maps. In addition to the concerted and conventional sequential fragmentation paths, a novel three-body fragmentation pathway, defined as an isomerization pathway, was identified, in which a rapidly rotating O2+ molecular ion is formed prior to fragmentation into individual fragments. This new fragmentation mechanism may provide new insights to explain the abiotic oxygen production in SO2-dominated planetary atmospheres.

Basketball participation improves sleep quality through psychological flexibility in adolescents

Generalized Wertheim TPT1 for patchy hard spheres confined in a one-dimensional channel

The Wertheim first-order thermodynamic perturbation theory (WTPT1) is generalized to obtain exact results for quasi-one-dimensional associating fluids, where the particles are allowed to move freely along a line and rotate in three dimensions. In this formalism, both the orientational distribution function and the fractions of sites not bonded are orientation-dependent functions determined by the minimization of the free energy. The theory is exact for a one-dimensional fluid of hard spheres decorated with n sticky sites, provided that each site is involved in a maximum of one bond. The reliability of the theory for non-sticky sites is examined with the help of the transfer operator method, by comparing the predictions for hard spheres decorated with one and two conical square-well sites. It is found that the generalized WTPT1 underestimates the orientational order and the fraction of bonded particles. Interestingly, the phase behavior of hard spheres decorated with sticky and non-sticky sites is very different, especially near close packing, as reflected in the pressure, the orientational order parameter, and the fraction of monomers.

Explainable hybrid AI CAD framework for advanced prediction of steel surface defects

Hybrid atomistic–parametric decoherence model for molecular spin qubits

Solid-state molecular qubits with open-shell ground states have great potential for addressability, scalability, and tunability, but understanding the fundamental limits of quantum coherence in these systems is challenging due to the complexity of the qubit environment. To address this, we develop a random Hamiltonian approach where the molecular g-tensor fluctuates due to classical lattice motion obtained from molecular dynamics simulations at constant temperature. Atomistic g-tensor fluctuations are used to construct Redfield quantum master equations that predict the relaxation T1 and dephasing T2 times of copper porphyrin qubits in a crystalline framework. Atomistic T1 predictions due to one-phonon spin–lattice interaction overestimate the available experimental data by orders of magnitude. Quantitative agreement with measurements at all magnetic fields is restored by introducing a magnetic field noise model to describe lattice nuclear spins, with field-dependent noise amplitude in the range δB ∼ 10 μT − 1 mT for the copper porphyrin system. We show that while T1 scales as 1/B experimentally due to a combination of spin–lattice and magnetic noise contributions, T2 scales strictly as 1/B2 due to low-frequency dephasing processes associated with magnetic field noise. Our work demonstrates the potential of dynamical methods for modeling the open quantum system dynamics of molecular spin qubits.

Improving road safety in smart cities using machine learning techniques

Phase-field models for particle-stabilized emulsions

Particle-stabilized emulsions are a cornerstone of soft matter science due to their broad applications and fundamental relevance. Computer simulations provide key insights into the formation and behavior of these emulsions; yet, current methods are limited by the spatiotemporal scales accessible for study. The principal issue is that particles are resolved individually. In this work, an alternative strategy is introduced based on phase-field theory, for which we establish the framework. By evolving continuous fields, large-scale dynamics can be simulated in a computationally efficient manner. Our approach is then applied to model the complex formation of a bicontinuous interfacially jammed emulsion gel (bijel) via solvent-transfer-induced phase separation (STrIPS). By resolving the coupled dynamics of liquid phase separation and nanoparticle adsorption, the model allows for the characterization of the influence of nanoparticles on the morphology. Higher concentrations of nanoparticles are found to reduce the average domain size of STrIPS bijels, in line with previous experimental evidence. The presented phase-field model thus represents a promising approach for the morphological investigation of complex particle-stabilized emulsions.

Role of the AmvAR efflux system on the pathogenesis of Acinetobacter baumannii

Morphology, local stoichiometry, and photoexcited states in Cu@Cu2O nanostructured systems grown by physical synthesis

Cuprous oxide (Cu2O) is a p-type semiconductor with promising applications as a photocathode material in photoelectrochemical cells for hydrogen production, owing to its visible-range bandgap and suitable band edge positions for water splitting. The incorporation of metallic Cu nanoparticles can further enhance light absorption and extend the absorption range of Cu2O toward the red and near-infrared due to the excitation of localized surface plasmon resonances within the metal nanoparticles (NPs). Starting from molecular-beam-epitaxy-grown metallic Cu NPs, post-growth thermal treatments under oxidizing and reducing conditions can be tuned to obtain either Cu@Cu2O core@shell NPs or Cu2O nanostructured films. The surface stoichiometry of the samples is investigated using x-ray photoelectron spectroscopy and Auger electron spectroscopy. Transmission electron microscopy, coupled with electron energy-loss spectroscopy, provides insights into the morphology and the local oxidation state of the NPs with nanometric resolution. Steady-state and time-resolved optical characterization of the samples confirms the presence of optical features related to localized surface plasmon resonances in the Cu cores and to exciton formation in the Cu2O shell.

Deep mantle anomalies block early Earth melting, challenging a primordial origin

Identification of an R2R3-MYB gene regulating tepal background coloration in Tricyrtis sp.

Abstract The liliaceous ornamental plant Tricyrtis sp. produces unique flowers, whose tepals have many random reddish-purple spots on a light purple background. In our previous studies, we performed comprehensive isolation and expression analysis of the anthocyanin biosynthesis-related genes to elucidate the molecular mechanism underlying flower color pattern formation in this plant, and identified the R2R3-MYB transcription factor gene, TrMYB1 , expressed in tepals. In the present study, we carried out detailed expression and functional analyses of TrMYB1 . Shading treatment of flower buds markedly reduced background coloration of the tepals, while there was little effect on spot formation. In addition, TrMYB1 expression level decreased in the tepals of shaded flower buds. Overexpression of TrMYB1 in Tricyrtis sp. resulted in deeper coloration and significantly increased anthocyanin content in tepals. RNAi-mediated knockdown of TrMYB1 significantly suppressed the expression of the anthocyanin biosynthetic enzyme genes, resulting in a significant decrease in anthocyanin contents and marked reduction in background coloration in the tepals, with little effect on spot formation. These results indicate that tepal background coloration and spot formation may be regulated by different molecular mechanisms, and that background coloration is likely induced by light through activation of TrMYB1 .

Deep learning-based infrared thermography reveals reproducible uniform and individual thermoregulatory responses during running

Abstract Infrared thermography (IRT) has recently gained attention in the field of exercise physiology, due to its ability to monitor thermoregulatory and cardiopulmonary responses non-invasively and in real time during physical exercise. However, the reproducibility of intra-individual measurement and standardization of region-of-interest selection in relation to the acute exercise response remain inconclusive. This study aimed to examine the reproducibility and physiological relevance of specific skin temperature (T SK ) metrics processed automatically using deep learning-assisted IRT during running, and to synchronize these metrics with cardiopulmonary and thermoregulatory parameters. Eleven endurance-trained individuals performed three 46-min running sessions over 2 days, with the same average external load but different intensity distributions. Individual anaerobic threshold velocity (vIAT), previously determined by cardiopulmonary exercise testing, was used to prescribe running intensity. During exercise, oxygen consumption (VO 2 ), core temperature (T CORE ), heart rate (HR) and different T SK metrics, including non-vessel (T NV ), cutaneous arterial perforator (T P ), and superficial vein patterns, were continuously measured. All T SK metrics displayed consistent temporal dynamics aligned with external load, but their absolute temperature levels differed systematically. During intermittent running and recovery, T P exhibited robust correlations with HR and VO 2 ( r = − 0.63 to − 0.9, p  < 0.001), and T P entropy showed consistent associations with T CORE during the warm-up ( r  = 0.59–0.83, p  < 0.001). This indicates uniform response patterns across the cohort. In contrast, T NV demonstrated heterogeneous correlations with T CORE , depending on individual exercise capacity. A strong inverse correlation was identified between ∆T NV and vIAT ( r = − 0.74 to − 0.88, p  ≤ 0.009) and individuals with higher vIAT demonstrated greater T CORE -T NV gradients during running. Measurements of ∆T NV demonstrated high reproducibility, with intra-individual ICC(3,1) values of 0.89 for recovery and 0.76 for warm-up, and no statistically significant differences between the three sessions. Deep learning-assisted IRT provides reproducible, physiologically consistent metrics across repeated exercise sessions, regardless of the day or prior load. Distinct T SK metrics capture both uniform and individual-specific thermoregulatory responses. Variability in peripheral temperature regulation is more strongly associated with running velocity at the individual anaerobic threshold than with maximal cardiorespiratory fitness.

Artificial neural network analysis of a fractional cyber-epidemic model in wireless sensors under the proportional Hadamard–Caputo operator

Investigation of microbiological non-compliance of endoscopic final rinse water associated with opportunistic premise plumbing pathogens contamination in connecting tube

Abstract Non-compliant final rinse water (microbial culture results exceeding 10 cfu/100 mL) is an under-recognized risk factor for failure of flexible gastrointestinal (GI) endoscope reprocessing, since it is an important step following disinfection during the reprocessing of flexible endoscopes. Opportunistic premise plumbing pathogens (OPPPs) may colonize terminal segments of the water distribution system and compromise rinse water quality. This study investigated the cause of recurrent final rinse water non-compliance in a GI endoscopy unit and evaluated an engineering intervention to prevent it. During August 2024, samples were collected from 34 reprocessed flexible gastrointestinal endoscopes (102 post-reprocessing samples) and various points within the water delivery system, including purified water and final rinse water from automated endoscope reprocessors and manual washing tanks. All samples were subsequently cultured for microbial analysis. After contaminated connecting tubes were identified as a potential OPPPs reservoir, 10 tubes between the circulation loop and the reprocessing equipment were replaced, and surveillance cultures were repeated at the same sampling sites. Initial assessments revealed low compliance rates of 32 water samples (37.5%, 12/32), according to infection control standards (≤ 10 cfu/100 mL). Water samples collected before connecting tubes showed 100% compliance (12/12 samples). Water collected through connecting tubes and final rinse taps all showed 0% compliance (0/10 samples), except for the water sample from AER 6, which had a bacterial count of 75 cfu/100mL, all other samples contained too numerous bacteria and could not be counted. The dominant bacteria is Sphingomonas paucimobilis , which was found in 14 samples, with a composition ratio is 43.75% (14/32). Others are Methylobacterium oryzae (8/32, 25%), Chryseobacterium indologenes (6/32, 18.75%), and Herbaspirillum huttiense (2/32, 6.25%). After replacing the connecting tubes, the compliance rate of water samples developed significantly to 100% (32/32) ( P  = 6.9 × 10 − 8 ). The primary reason for non-compliance of final rinse water is the contamination of connecting tube by the OPPPs. These findings emphasize the need for shortening the connecting tube length and thorough cleaning and disinfecting of connecting tube between circulating tube and endoscope reprocessor, which are generally neglected in routine maintenance.

Feasibility, acceptability and usability of a thermolabile drugs storage monitoring system at patient’s home: a pilot study

Topology optimization of wheel spoke cavities for lightweight design under bending fatigue and impact load cases

Remaining useful life prediction method based on gated dilation causal convolution

Political polarization threatens fairness and reciprocity in the USA

Abstract An increase in political polarization in the USA has been reported by many researchers using different kinds of data (e.g., attitudinal, affective and behavioral measures). Here, we report the results of three incentivized experimental studies (with a total of 1842 participants) in which participants had to choose how to divide money given to them by a political opponent (decisions were made for actual money of up to $11). In Study 1, participants could choose whether to act trustworthily (i.e., to share the money evenly or keep it for themselves). In Study 2, participants had no financial incentives not to reciprocate the trust placed in them (i.e., they did not earn their own benefits from harming their interaction partner). In both Study 1 and Study 2, more participants actively harmed a political opponent than a political co-partisan or a person with an unknown political affiliation. Most strikingly, such discrimination was not only governed by disliking members of the other side, but also perceived as justified moral aggression (i.e., it was regarded as the behavior that should be chosen). In Study 3, a previously well-established intervention to mitigate affective political polarization increased the likability of opponents but did not reduce discriminatory reciprocity. In all three studies, when compared with an anonymous interaction partner participants only slightly favored political affiliates but strongly discriminated against political opponents. In this, our results were highly symmetrical: Democrats and Republicans did not systematically differ in their willingness to act fairly towards each other.