julilili42/papers huggingface dataset:
Morphology-/microstructure-regulated nickel/nitrogen-co-doped monodisperse hollow carbon spheres for controlled electrochemical CO2 reduction to syngas
2025-03-04

Monodisperse carbon materials have attracted increasing attention in the fields of catalysis, adsorption, and energy storage. However, the preparation of monodisperse microstructure-controlled carbon spheres still faces tremendous challenges due to the complexity of involved polymerization/carbonization processes and the difficulty of controlling high monodispersity and regulating microstructures, which are vital for ensuring a uniform packing, determining consistent physical and chemical properties and targeting applications. Here, we report an approach to address these issues by co-doping nickel and nitrogen into an aminophenol-formaldehyde resin (APFR) polymer framework. Such Ni,N-co-doping regulates the morphology and microstructure of the obtained monodisperse carbon spheres. The study elucidates how nickel nitrate and ammonia affect the morphology and microstructure of APFR spheres and the retention of the APFR shape after carbonization. The study also unveils the morphological and microstructural evolution from smooth to rough surface, solid to hollow structure, micropore to hierarchical structure, as well as the changes in sphere size and surface area. Moreover, a synergistic microstructural transformation mechanism of Ni<sup>2+</sup> coordination and NH<sub>3</sub> regulation is inferred. The resulting optimized Ni,N-co-doped monodisperse hollow carbon spheres are used as a catalyst for electrochemical CO<sub>2</sub> reduction to syngas. The results show that highly dispersed Ni particles embedded in N-doped hollow carbon spheres display a high electrochemical performance for CO<sub>2</sub> reduction to CO, with a tunable CO/H<sub>2</sub> ratio of 0.35-3.48 applying a potential range of -1.1 to -0.8 V (vs. RHE), and long-term stability for CO selectivity. This work describes a promising candidate for methanol conversion, syngas fermentation and Fischer-Tropsch reactions by syngas.
ENABLE—App-Based Digital Capture and Intervention of Patient-Reported Quality of Life, Adverse Events, and Treatment Satisfaction in Breast Cancer: Protocol for a Randomized Controlled Trial
2025-03-04

Background In recent years, breast cancer treatment has taken the path toward personalized medicine. Based on individual tumor biology, therapy tailored to the particular subtype of cancer is increasingly being used. The aim here is to find the most suitable therapy for the disease. However, the success of therapy depends to a large extent on the patient’s adherence to treatment. This, in turn, depends on how the therapy is tolerated and how the treatment team cares for the patient. Patient-centered care seeks to identify and address the individual needs of each patient and to find the best form of care for that person. Objective In order to improve comprehensive oncological care of patients with breast cancer, the ENABLE trial digitally recorded the health-related quality of life (HRQoL), adverse events (AEs), and patient satisfaction using a mobile smartphone app. The trial provided individualized responses to reported AEs and offered assistance. Additionally, it assessed the impact of a patient-reported outcome–based intervention across various therapy settings. Methods Patients with breast cancer were eligible to participate in the study before neoadjuvant, adjuvant, postneoadjuvant, or palliative systemic therapy against breast cancer was initiated at the Heidelberg, Mannheim, and Tuebingen, Germany, university hospitals. After 1:1 randomization into an intervention and a control group, HRQoL assessments were performed at six fixed time points during the therapy using validated questionnaires. In the intervention group, HRQoL was also assessed briefly every week using a visual analog scale (EQ-VAS). In cases of significant deterioration, therapy-associated side effects were assessed in a graduated manner, recommendations were sent to the patient, and the treatment team was informed. Additionally, the app served as an “eHealth companion” for education, training, and organizational support during therapy. Results Recruitment started in March 2021; follow-up was completed in February 2024. In total, 606 patients were enrolled, and 592 patients participated in the study. Enrollment was completed in September 2023, and the last visit was in February 2024. The first results are expected to be published in Q2 2025. Conclusions Participation in the intervention group is expected to improve treatment satisfaction, adherence, detection, and timely treatment of critical AEs. The close-meshed, weekly, brief HRQoL assessment will also be tested as a screening tool to detect relevant side effects during therapy. The study offers a more objective HRQoL assessment across treatment strategies. Trial Registration Deutsches Register Klinischer Studien DRKS00025611; https://drks.de/search/en/trial/DRKS00025611 International Registered Report Identifier (IRRID) DERR1-10.2196/69855
Single-boson exchange formulation of the Schwinger-Dyson equation and its application to the functional renormalization group
2025-03-04

We extend the recently introduced single-boson exchange formulation to the computation of the self-energy from the Schwinger–Dyson equation (SDE). In particular, we derive its expression both in diagrammatic and in physical channels. The simple form of the single-boson exchange SDE, involving only the bosonic propagator and the fermion-boson vertex, but not the rest function, allows for an efficient numerical implementation. We furthermore discuss its implications in a truncated unity solver, where a restricted number of form factors introduces an information loss in the projection of the momentum dependence that in general affects the equivalence between the different channel representations. In the application to the functional renormalization group, we find that the convergence in the number of form factors depends on the channel representation of the SDE. For the two-dimensional Hubbard model at weak coupling, the pseudogap opening driven by antiferromagnetic fluctuations is captured already by a single ( s <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>s</mml:mi></mml:math> -wave) form factor in the magnetic channel representation, differently to the density and superconducting channels.
The Neuroprotective Role of Melatonin in Intracerebral Hemorrhage: Lessons from an Observational Study
2025-03-04

Background/Objectives: Growing evidence is underscoring the neuroprotective properties of melatonin, particularly its anti-inflammatory, anti-apoptotic, and antioxidant effects. Preliminary findings suggest that it has the potential to attenuate secondary brain injury following intracerebral hemorrhage (ICH). This observational study aimed to investigate the effect of melatonin on post-ICH mortality and functional outcomes. Methods: We conducted an exploratory analysis of data from a single-center, non-randomized, prospective cohort study involving 177 non-ventilated patients with spontaneous ICH consecutively admitted to the Stroke Unit at the University Hospital of Tübingen, Germany, between December 2015 and December 2020. Patients received either the best standard of care (control group) or the best standard of care plus melatonin (2 mg nightly), initiated within 24 h of symptom onset and continued until discharge. The primary endpoint was mortality at discharge, while secondary endpoints included mortality at 90 days and favorable outcomes (modified Rankin Scale [mRS] ≤ 2) at both discharge and a 90-day follow-up. To minimize baseline differences, propensity score matching (PSM) was employed in the secondary analysis. Additionally, ordinal mRS shift analysis was performed to assess the patients’ functional status at discharge. Results: In the full cohort (84 melatonin-treated patients vs. 93 controls), melatonin was not associated with any of the primary or secondary outcomes. In the PSM cohort (38 melatonin-treated patients vs. 38 controls), mortality at discharge was three times lower in the melatonin group compared to the control group (2.6% vs. 7.9%), although this trend did not reach statistical significance (ORadj: 0.372; 95% CI: 0.036–3.843; p = 0.407). Ordinal mRS analysis revealed no significant association between melatonin and functional status at discharge (common OR: 0.762; 95% CI: 0.327–1.773; p = 0.527). Similarly, the melatonin treatment was not associated with 90-day mortality (ORadj: 1.519; 95% CI: 0.295–7.826; p = 0.617) or the functional outcome at 90 days (ORadj: 0.626; 95% CI: 0.198–1.983; p = 0.426). Conclusions: Although 2 mg of melatonin daily did not significantly reduce mortality or improve functional outcomes in ICH patients, robust preclinical evidence and the favorable safety profile of melatonin warrant its further exploration in adequately powered, randomized-controlled clinical trials to evaluate optimized dosing regimens.
The evolution of local adaptation in long-lived species
2025-03-04

Abstract Many species experience heterogeneous environments and adapt genetically to local conditions. The extent of such local adaptation depends on a balance between divergent selection and gene flow but also on other factors such as phenotypic plasticity or the genetic architecture of traits. Here, we explore the role of life history in this process. We develop a quantitative genetics model and run individual-based simulations to contrast the evolution of local adaptation between short- and long-lived species. We show that local adaptation varies with a species’ life cycle and how this cycle modulates the scheduling of selection and dispersal among stages. When a longer generation time is associated with more frequent events of selection than dispersal, local adaptation is more pronounced in long-lived than in short-lived species. Contrastingly, if dispersal occurs more frequently than selection, long-lived species evolve weaker local adaptation. Our simulations confirm these findings and further show how longevity shapes additive genetic variance, effective dispersal between patches, and the genetic response at quantitative trait loci. Taken together, our results suggest that the effect of longevity on local adaptation depends on the specifics of a species’ life cycle, potentially explaining why current meta-analyses have not consistently detected this effect.
Expression of transgenic biotin ligases in inducible neuronal murine cell lines by integration into the mHipp11 gene locus
2025-03-04

Biotin proximity labeling is a powerful method for identifying proteins associated with a specific organelle, a bait protein, or RNA. It requires the expression of a modified biotin ligase by transient transfection or from a stably integrated expression construct. Because such stable integration of transgenes into stem cells can lead to silencing during differentiation, targeting a biotin ligase to a genomic safe harbor site would be beneficial. Here, we report on the successful targeting and expression of two biotin ligase constructs to the mouse Hipp11 locus during neuronal differentiation. While randomly integrated MicroID and TurboID are expressed and active in mouse embryonic stem cells (mESCs), expression ceases upon differentiation into mESC-derived neurons, which is independent of the promoter used. In contrast, targeting of the same expression cassette to the mHipp11 locus results in expression, correct localization, and biotinylation activity not only in mESCs but also in neurons 8–10 days after differentiation. This demonstrates that the mouse Hipp11 locus is a promising genomic integration site for transgenic biotin ligases in mESCs and mESC-derived neurons.
Second pregnancy in China 5 years after ovarian tissue transplantation to prevent iatrogenic POI
2025-03-04

Ovarian tissue cryopreservation and transplantation (OTCT) can be assessed as a successful method especially to prevent iatrogenic POI. In our cryobank for OTCT, which is the first official one in China, intensive research to improve this method has been performed, and we propose after our success for the second pregnancy in China to include this method in the official guidelines for prevention and treatment of (especially iatrogenic) POI.
Tribenzoylarsine – a Benign Arsenic Precursor for InAs Nanocrystals
2025-03-04

III-V semiconductor nanocrystals (NCs) have emerged as a viable, more benign alternative to state-of-the-art II-VI and IV-VI NCs, which are increasingly restricted due to the toxicity of the comprising elements. While great progress has been achieved for InP, covering the visible range, the development of infrared-emitting InAs NCs has been relatively low-paced. This is due to the synthetic challenges arising from the highly covalent bonding in InAs and the small choice of available arsenic sources, which are essentially limited to tris(trimethylsilyl)arsine and tris(dimethylamino)arsine. Most importantly, wider adoption of these syntheses is hampered by their reliance on hazardous pyrophoric and costly reagents. In this work, we report for the first time the multigram synthesis of tribenzoylarsine, which can be used as a novel nonvolatile, nonpyrophoric, and hence safer, precursor for metal arsenide nanoparticles. We demonstrate that tribenzoylarsine reacts with indium oleate without additional reducing agents yielding small (~2 nm) InAs NCs. By tuning synthesis parameters (in particular, the addi-tion of zinc oleate or using continuous injection) it is possible to cover the photoluminescence range of 630–780 nm with full width at half maximum as low as 170–210 meV, which is a very competitive value to the existing synthetic approaches. Along with the significantly safer nature of tribenzoylarsine and the great potential for synthesis optimization, this makes it a very promising alternative to the currently used arsenic precursors.
Island formation in heteroepitaxial growth
2025-03-04

Island formation in strain-free heteroepitaxial deposition of thin films is analyzed using kinetic Monte Carlo simulations of two minimal lattice models and scaling approaches. The transition from layer-by-layer (LBL) to island (ISL) growth is driven by a weaker binding strength of the substrate, which, in the kinetic model, is equivalent to an increased diffusivity of particles on the substrate compared to particles on the film. The LBL-ISL transition region is characterized by particle fluxes between layers 1 and 2 significantly exceeding the net flux between them, which sets a quasiequilibrium condition. Deposition on top of monolayer islands weakly contributes to the second-layer nucleation, in contrast with the homoepitaxial growth case. A thermodynamic approach for compact islands with one or two layers predicts the minimum size in which the second layer is stable. When this is linked to scaling expressions for submonolayer island deposition, the dependence of the ISL-LBL transition point on the kinetic parameters qualitatively matches the simulation results, with quantitative agreement in some parameter ranges. The transition occurs in the equilibrium regime of partial wetting, and the convergence of the transition point upon reducing the deposition rate is very slow and practically unattainable in experiments.
Assessing Modes of Toxic Action of Organic Cations in In Vitro Cell-Based Bioassays: the Critical Role of Partitioning to Cells and Medium Components
2025-03-04

High-throughput cell-based bioassays can fulfill the growing need to assess the hazards and modes of toxic action (MOA) of ionic liquids (ILs). Although nominal concentrations (<i>C</i><sub>nom</sub>) are typically used in an <i>in vitro</i> bioassay, freely dissolved concentrations (<i>C</i><sub>free</sub>) are considered a more accurate dose metric because they account for chemical partitioning processes and are informative about MOA. We determined the <i>C</i><sub>free</sub> of IL cations in AREc32 and AhR-CALUX assays using both mass balance model (MBM) prediction and experimental quantification. Partition coefficients between membrane lipid-water (<i>K</i><sub>mw</sub>), serum albumin-water (<i>K</i><sub>albumin/w</sub>), and cell-water (<i>K</i><sub>cell/w</sub>) as well as potential confounding factors (binding to a test plate and micelle formation) were determined to improve the MBM prediction. IL cations showed a higher affinity for both cell lines than that predicted by the MBM based on <i>K</i><sub>mw</sub> and <i>K</i><sub>albumin/w</sub>. Their affinity for the AhR-CALUX cells was more than 1 order of magnitude higher than for the AREc32, signifying cell line-specific affinity. The MBM with an experimental <i>K</i><sub>cell/w</sub> accurately predicted <i>C</i><sub>free</sub>. Evaluating cytotoxicity based on <i>C</i><sub>free</sub> eliminated the leveling off of toxicity observed for hydrophobic IL cations (side chain cutoff), suggesting that <i>C</i><sub>nom</sub> underestimates the effects of compounds with high affinity for the assay medium. Cell membrane concentrations calculated from <i>C</i><sub>free</sub> using <i>K</i><sub>mw</sub> were compared to the critical membrane burden to identify whether IL cations act as baseline toxicants. The IL cations carrying 16 carbons in the chain in the AREc32 assay and most of the IL cations in the AhR-CALUX assay were classified as excess toxicants. However, since the reasons for the deviation of experimental <i>K</i><sub>cell/w</sub> from MBM prediction remain unexplained, it is uncertain whether the cell membrane concentrations can be well predicted from <i>K</i><sub>mw</sub> used in this study. Therefore, future studies should aim to uncover the underlying causes of differing cell affinities observed across cell lines and model predictions.
Investigation of CIP quality in over-the-counter drug stores of resource-limited countries: a comparative study in Vietnam and Nigeria
2025-03-04

Abstract Introduction CIP, a broad-spectrum antibiotic, is crucial for managing bacterial infections. Its efficacy relies on maintaining high-quality standards, which can be affected by manufacturing, regulatory oversight and storage practices. This study compares the quality of CIP preparations in Vietnam and Nigeria, two nations with contrasting regulatory frameworks, to assess compliance with pharmaceutical standards and identify risks from substandard or falsified medicines. Methods A total of 46 CIP preparations were analysed, 20 purchased from 13 vendors in Vietnam and 26 from 13 vendors in Nigeria. Data on vendor qualifications and storage conditions were collected. Antibacterial activity was tested using a modified disk diffusion assay, and content and purity were evaluated via reversed-phase HPLC. Results Vietnam's drug outlets showed stricter regulation, with 100% registration and 61.5% staffed by Bachelor of Pharmacy holders, compared with only 23.1% in Nigeria. Temperature and humidity monitoring was universal in Vietnam but minimal in Nigeria (23.1% and 15.4%, respectively). Antimicrobial testing confirmed effectiveness for all but one sample (Vietnam), while Nigerian samples had greater variability. Reversed-phase HPLC revealed seven Nigerian samples (26.9%) with &amp;lt;80% declared CIP content, all from one manufacturer. Median content was 91% in Vietnam and 88% in Nigeria, with most samples meeting purity standards. Conclusions The study highlights significant disparities in the regulation, storage practices and quality of CIP between Vietnam and Nigeria. These findings underscore the critical need for improved regulation, monitoring and enforcement in countries with weaker pharmaceutical oversight to ensure drug efficacy and safety.
Spontaneous Abiotic Reduction of Arsenate to Arsenite Mediated by Structural Fe(II) Resulting from Abundant Oxygen Vacancy Clusters in Poorly Crystalline Ferrihydrite in Drought Environments
2025-03-05

The reduction of As(V) to As(III) has been proposed as an undesirable process, increasing the mobility and toxicity of arsenic. Although most studies revealed that As(V) reduction occurs in the aqueous phase, it remains unclear whether abiotic As(V) reduction driven by minerals in drought environments also exists. In this study, we examined the transformation of As(V) to As(III) mediated by ferrihydrite during drying processes using high-resolution X-ray photoelectron spectroscopy (XPS) and X-ray absorption near edge structure (XANES) spectroscopy analyses. The results revealed that nearly 40.8% of ferrihydrite-sorbed As(V) was transformed to As(III) after placing the As(V)-adsorbed ferrihydrite solids in a drought-tolerant environment for 7 days. As(V) reduction occurred under both oxic and anoxic conditions, with the reduction rate being higher in an anoxic atmosphere than in oxygen and air. Chemical analysis revealed the presence of structural Fe(II) in ferrihydrite, which was attributed to the abundance of oxygen vacancy clusters, as evidenced by positron annihilation lifetime (PAL) analysis. Fe L-edge XANES analysis and DFT calculations demonstrated that structural Fe(II) in dried ferrihydrite played a vital role in As(V) reduction, inducing electron transfer from Fe to As atoms. The findings of this study highlight a potentially important but long-overlooked As(V) reduction pathway at mineral surfaces under drought conditions in dried soils.
The potent human CAR activator CITCO is a non-genotoxic hepatic tumour-promoting agent in humanised constitutive androstane receptor mice but not in wild-type animals
2025-03-05

Abstract A large number of drugs and compounds produced by the chemical and agrochemical industry, often referred to as ‘non-genotoxic carcinogens’ (NGC), score as tumour promotors in rodent models. It is unclear whether these compounds act similarly in humans. The most extensively investigated compounds have been the anti-convulsive drugs, phenobarbital (PB), and phenytoin. Liver tumours induced by PB are dependent upon the activation of the constitutive androstane receptor (CAR). However, marked species differences in CAR activation by exogenous chemicals exist with some being much more potent activators of human CAR, e.g., 6-(4-chlorophenyl)imidazo[2,1-β][1,3]thiazole-5-carbaldehyde-O-(3,4-dichlorobenzyl)oxime (CITCO). We have compared CITCO-induced tumour formation in the livers of mice in which murine CAR has been replaced with its human counterpart. Our findings reveal that CITCO-dependent liver tumours are only formed in mice-expressing human CAR and not in wild-type animals. In addition, contrary to one of the proposed mechanisms of NGC carcinogenicity, we show that CITCO did not induce a hyperplastic response in the liver of the humanised mice. These data raise some key questions about the mechanism of action of NGCs and identify the limitations of current rodent carcinogenicity test systems in relation to risk assessment.