Browse Articles

COVID-19 vaccination lowers SARS-CoV-2 infection risk independent of diabetes, cancer and smoking in SHIP-COVID cohort, Northern Germany

Abstract This study (n = 668) investigated the effect of vaccination on SARS-CoV-2 infection among individuals with type 2 diabetes mellitus (T2DM), cancer, and smoking in a prospective cohort study in Northern Germany. Participants from the SHIP-COVID cohort were followed from October 2020 to October 2022 using repeated questionnaires and serological tests. Infection was defined by anti-nucleocapsid (anti-NCP) antibodies’ detection, self-reported Real Time Polymerase Chain Reaction (RT-PCR) or rapid antigen test. Vaccine efficacy was evaluated using risk differences (RD), risk ratios (RR), p-values, and 95% confidence intervals. Infection risk decreased with more vaccine doses; the 3rd (RR = 0.68) and 4th (RR = 0.29) doses offered significant protection. Both sexes showed protection with 3rd and 4th doses (RR = 0.67 and 0.20 in women and 0.68 and 0.39 in men, respectively). Logistic regression showed higher infection odds in individuals with T2DM (14%) and cancer (68% in SHIP-START-3 dataset and 45% in SHIP-START-4 dataset), while current smokers had 47% and 45% lower odds than non-smokers in SHIP-START-3 and SHIP-START-4 datasets respectively. No significant interactions were found between vaccination and T2DM, cancer, or smoking.

CT-based study on the safety margin of the anteromedial portal in elbow arthroscopy

Abstract With the increasing use of elbow arthroscopy, there is a growing concern about the risk of injury to neural structures, particularly the median nerve, when the anteromedial portal is created. This risk, which was previously underestimated, underscores the need for a guide to safe access that can significantly impact surgical practices and patient outcomes. We retrospectively evaluated 83 computer tomographies of the elbow without a higher grade of osteoarthritis and surgical treatment. In a 3D reconstruction, the median nerve was located, and a circle was set around it with a radius of 1.5 cm. This was supposed to represent a safety distance. Now, a tangent line was drawn from the tip of the processus coronoideus along the created circle, and the angle to the trans epicondylar plane was measured. The two legs of the angle crossed the skin. Therefore, the distance between these two intersections was also measured. Using IBM SPSS, we tested the data for normal distribution. The mean angle was 57.38°, and the mean distance between the skin intersections was 4.77 cm. The results suggest that the anteromedial portal, approximately 4.77 cm ventrally, measured from the medial epicondyle and at an angle of 57.38° in the trans epicondylar axis, can be suggested as a safe portal placed with reduced risk of damage to the median nerve based on imagining, with a safety distance of 1.5 cm. This can be helpful during elbow arthroscopy; clinical validation is yet to be performed.

Correction: Elemental analyses reveal distinct mineralization patterns in radular teeth of various molluscan taxa

The study of dual-phase 18F-FDG PET/CT-based models in predicting malignant solitary pulmonary lesions

Periodontitis associated with Porphyromonas gingivalis infection is a risk factor for infertility through uterine hypertrophy

Land productivity declines in the GGW while human contributions to restoration far outweighing degradation

Interplay of tail length and confinement in the formation of interior loops in flexible chains

Loop formation between distant interior segments of a polymer is a fundamental process for biological functions such as gene regulation and protein folding. While prior studies predominantly focus on end-to-end looping, interior loop formation is more relevant in vivo. Using Langevin dynamics simulations, we investigate the kinetics of interior loop formation in confined flexible polymers with specific internal segments having attractive interactions, focusing on the effect of tail length (lt) and spatial confinement. The probability distribution function of the distance between attractive beads forming the interior loop, P(ra), and the corresponding free energy profile, F(ra), exhibit a bimodal structure due to the coexistence of two distinct conformational states: a compact folded state and an unlooped relaxed configuration. We observe a non-monotonic dependence of the looping probability (Pl) and looping time (Tl) on lt under strong confinement. We identify the optimal combination of the cavity size and the tail length that leads to maximizing the looping time Tl and minimizing the looping probability Pl. In addition, the interior loop dynamics for distinct loop lengths (ll) of a fixed polymer chain (L) showcase that Tl changes rapidly with the addition of the first few monomers and then plateaus as the tail grows, which is exactly verified with analytical results. The observed coexistence of looped and extended states is a hallmark of intermediate ɛ, disappearing for weak or strong attractions, highlighting the tunability of looping dynamics via interaction strength.

Agreement and repeatability of ocular surface function using the S390L Firefly WDR slitlamp compared with Keratograph 5M

Abstract To evaluate the agreement and repeatability of the S390L Firefly WDR slitlamp (S390L WDR+D130, MediWorks, Shanghai, China)   in tear film-related parameters measurement compared with Keratograph 5M(K5M) (Oculus Optikgeräte GmbH, Wetzlar, Germany). This prospective study assessed tear film parameters, including first non-invasive tear break-up time (NIBUTf), average non-invasive tear break-up time (NIBUTav), and tear meniscus height (TMH) using the S390L Firefly WDR slitlamp and K5M. Bland-Altman (BA) plots and the correlation coefficient r were used to assess the agreement of tear film parameters of two ocular surface analyzers. Intraclass correlation coefficient (ICC) was used to evaluate the repeatability of the S390L Firefly WDR slitlamp and K5M. Forty-four subjects from Shenyang He Eye Specialist Hospital were recruited in this study. There were no significant differences in the paired comparisons of NIBUTf, NIBUTav, and TMH (p > 0.05). The BA plots analysis showed a good agreement between the two devices for the NIBUTf (95% LoA, − 2.7 to 2.6), NIBUTav (95% LoA, − 4.5 to 3.6) and TMH (95% LoA, − 0.05 to 0.04). ICC of NIBUTf, NIBUTav, and TMH between the two measurements using S390L Firefly WDR slitlamp was 0.89, 0.84, and 0.98, respectively. The tear film-related parameters measurement of S390L Firefly WDR slitlamp had good repeatability and acceptable agreement with K5M. This study suggested a novel technique S390L Firefly WDR slitlampcan be considered an alternative to K5M in clinical settings, with an acceptable level of intrasession repeatability for clinical evaluation of tear film parameters.

Coarse graining photo-isomerization reactions: Thermodynamic consistency and implications for molecular ratchets

We formulate thermodynamically consistent coarse-graining procedures for molecular systems undergoing thermally and photo-induced transitions: starting from elementary vibronic transitions, we derive effective photo-isomerization reactions interconverting ground-state species. Crucially, the local detailed balance condition, which constrains reaction kinetics to thermodynamics, remains satisfied throughout the coarse-graining procedures. It applies to the effective photo-isomerization reactions just as it does to the elementary vibronic transitions. We then demonstrate that autonomous photo-driven molecular ratchets operate via the same fundamental mechanism as chemically driven ones. Because the local detailed balance remains satisfied, autonomous photo-driven molecular ratchets, similar to chemically driven ones, operate exclusively through an information ratchet mechanism. This reveals that their design and optimization should prioritize molecular properties governing the information ratchet mechanism, rather than those influencing energetic bias.

Silicon and thiourea synergy boosts wheat cultivars’ grain quality under salinity via coordinated ion and antioxidant responses

Freezing line of polydisperse hard spheres via direct-coexistence simulations

In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase behavior using computer simulations remains a challenging task. As a result, our understanding of the equilibrium phase behavior of even the simplest colloidal model system, hard spheres, remains limited. Here, we present a new approach to map out the freezing line of polydisperse systems that draws on direct-coexistence simulations in the semi-grand canonical ensemble. We use this new method to map out the conditions where a hard-sphere fluid with a Gaussian size distribution becomes metastable with respect to partial crystallization into a face-centered-cubic crystal. Consistent with past predictions, we find that as the polydispersity of the fluid increases, the coexisting crystal becomes increasingly size-selective, exhibiting a lower polydispersity and larger mean particle size than the fluid phase. Finally, we exploit our direct-coexistence simulations to examine the characteristics of the fluid–crystal interface, including surface stress and interfacial absorption.

A dynamic confrontational game model of uav’s data link in the complicated electromagnetic environment

Interfacial charge transfer and oxygen activation in phosphorus-doped g-C3N4/MoS2 quantum dot heterostructures: A first-principles and photocatalytic study

A phosphorus-doped graphitic carbon nitride (PCN)/MoS2 quantum dots (QDs) heterostructure was synthesized via an evaporation-induced self-assembly process. X-ray photoelectron spectroscopy and work function analysis revealed strong interfacial electronic interactions. Density functional theory calculations indicated that interfacial charge migration was dominated by a diffusion-driven mechanism. Incorporation of MoS2 QDs modulated the electronic structure of PCN, significantly enhancing O2 adsorption and promoting the generation of reactive oxygen species (1O2 and ·O2–) under simulated solar irradiation. These electronic modifications improved the photocatalytic response, as demonstrated by the enhanced degradation of Rhodamine B and tetracycline (TC), with pollutant removal efficiencies of 99.5% and 90.0%, respectively, substantially exceeding those of pristine PCN. Application to real printing and dyeing wastewater demonstrated the material’s practical potential, with the degradation products of TC exhibiting substantially reduced biotoxicity to aquatic organisms. This study provides mechanistic insights into charge transport and interfacial oxygen activation in g-C3N4-based heterostructures, offering a rational strategy for the design of advanced photocatalysts for solar-driven environmental remediation.

Demonstration of the rotational viscosity transfer across scales in Navier–Stokes turbulence

Spectral diffusion of single Ag–In–Zn–S quantum dots elucidates the photoluminescence mechanism

Alloyed Ag–In–Zn–S colloidal quantum dots (QDs) have recently emerged as bright fluorophores with properties compatible with various applications. Although the synthetic procedures are well developed and allow achieving near-unity photoluminescence quantum yields, further development of these nanostructures is hindered by poor understanding of the light emission mechanism. In this work, we employ a tool of single particle spectroscopy—studies of spectral diffusion—to elucidate the nature of the luminescent excited state. By analyzing temporal fluctuations and correlations of the photoluminescence intensity, peak position, and linewidth, we show that this state comprises an electron delocalized over the QD volume and a hole localized at a midgap trap state. We thus challenge the view prevailing in the literature that the photoluminescence in alloyed Ag–In–Zn–S QDs occurs via a donor–acceptor pair recombination mechanism. Furthermore, our single dot measurements reveal various contributions to the photoluminescence line broadening.

Smart and secured investment casting process for better sustainability

Conformation-specific reactions of Criegee intermediates

Carbonyl oxides, known as Criegee intermediates, play crucial roles in atmospheric chemistry and climate change. The novel production methods and direct detection of these gaseous Criegee intermediates in laboratories, developed about a decade ago, have stimulated related research and significantly enhanced our understanding of the roles of Criegee intermediates in atmospheric chemistry. Numerous reviews and perspective articles on Criegee intermediates have been published. This perspective focuses on recent experimental developments in conformation-specific gaseous reactions of Criegee intermediates, including their unimolecular decomposition, self-reactions, and reactions with important atmospheric species; related theoretical results are also included. It also discusses the identification of the conformation-specific reaction products and their subsequent reactions to elucidate the reaction mechanisms. In addition, we highlight some unresolved issues and challenges in this critical field of research.

Intelligent calibration method for microscopic parameters in the discrete element method based on ensemble learning

Incorporating the molecular-scale into a hydrodynamic description of confined aqueous systems

Hydrodynamics provides a continuum-level description of fluid motion, but its applicability at the nanoscale becomes uncertain due to the emerging importance of molecular-level effects such as spatial heterogeneity. Hydrodynamic boundary conditions that incorporate molecular details allow us to partition the system into a near-wall region and a bulk fluid region. We identify a hydrodynamic wall located inside the fluid that determines where slip begins. By extending the hydrodynamic wall with the slip length, the position of the extrapolated wall is established. This offers a unified description of both slip and stagnant flow behaviors, with wall hydrophobicity characterized by the relative location of the extrapolated wall with respect to the physical wall. Employing this concept in analyses of equilibrium molecular dynamics (MD) and non-equilibrium MD simulations of Couette and Poiseuille flows, our results demonstrate consistency between equilibrium and non-equilibrium approaches across different flow types and confinement levels. This demonstrates the robust nature of linear response theory. We then explore the effects of fluid-wall and bulk fluid interactions on the hydrodynamic properties. These findings enhance the effectiveness of molecular-based simulations for investigating complex confined systems in nanofluidics, biology, and colloidal science, offering a complementary molecular-scale perspective to traditional continuum approaches.

Extended blastocyst culture improves DNA yield in non-invasive preimplantation genetic testing for aneuploidy but diagnostic specificity remains limited