Browse Articles

Geometric admissibility conditions for travelling-wave solitons in the Kuralay–IIA equation

A Glimpse into the Initial Microsecond of Biomolecular Condensation

Abstract Biomolecular condensation is a key process for cells to maintain their normal physiological activities. However, the process of phase transition remains mysterious, especially for the initial moments of condensation. Herein, we investigated the first microsecond of peptide condensation through temperature jump infrared spectroscopy and molecular dynamics simulations. These techniques overcome the limited spatiotemporal resolution of traditional approaches, allowing us to capture the molecular events and kinetic information on the initial moment for phase transition. The results reveal that structural transitions and early assembly of intrinsically disordered proteins occur on ultrafast time scales. Unexpectedly, backbone hydrogen bonding emerges as the overlooked key mediator to stabilize the local structure for the ultrafast condensation of hydrophobic polypeptides compared to hydrophobicity. By locking local structures, hydrogen bonds help to form more stable interaction interfaces. These findings indicate that hydrogen bonding could enable hydrophobic disordered proteins to adopt preorganized conformations in response to environmental stimuli and serve as a key factor in mediating the assembly kinetics in complex cellular environments.

Study on the heat exchange performance of two fluid self-excited oscillation devices adapted to elastic tube bundle heat exchangers

Antiaromatic Cyclooctatetraene-Embedded, BODIPY-Fused Nanographene with an NIR-II Chiroptical Response

Abstract Chiral nanographenes exhibiting near-infrared (NIR) chiroptical responses are of growing interest due to their potential applications in bioimaging, sensing, and photodetectors. Nevertheless, realizing the chiroptical response in the NIR-II region (1000–1700 nm) remains a fundamental challenge. Herein, a BODIPY-fused anthracene (BNG1) and an unprecedented BODIPY-fused nanographene (BNG2) incorporating a cyclooctatetraene (COT) unit are synthesized. Single-crystal X-ray crystallography confirms their structures, revealing that BNG2 adopts an enantiomeric double-helical architecture. The embedded COT unit possesses a pronounced antiaromatic character, as supported by multiple theoretical analyses. Both compounds display strong absorption spanning the UV–visible–NIR regions, especially the π-extended BNG2, which shows broad absorption with a long tail reaching 1800 nm in toluene solution, attributed to the antiaromaticity and low C2-symmetry of COT. BNG1 and BNG2 have narrow optical energy gaps of 1.32 and 0.90 eV, H-aggregation behaviors, and excellent photothermal stability. Most importantly, enantiomers of BNG2 are successfully resolved by chiral high-performance liquid chromatography and exhibit mirror-image circular dichroism spectra with opposite Cotton effects extending from the UV region to the NIR-II region. This implies its potential applications in the detectors of wide-range circularly polarized light and chirality-based phototherapy. Our investigation provides important insights into developing purely organic materials with robust NIR chiroptical responses.

Machine learning identifies routine blood tests as accurate predictive measures of pollution-dependent poor cognitive function

Abstract Several modifiable risk factors for dementias have been identified including socio-economic status and environmental exposures – however, how these population-level risks relate to individual risk remains elusive. To address this, we use random forest modelling to determine significant predictors of poor cognitive performance in on deeply phenotyped cohort of 324 individuals (age 61.6 ± 4.8 years; 150 males, 174 females) without extant neurological disease. 457 features were assessed including a comprehensive battery of imaging, blood, atmospheric pollutant and socio-economic measures. This approach where brain imaging, blood, socio-economic and environmental exposure measures were used to model cognitive performance was able to classify general cognition tertiles with 0.70 overall accuracy. Routinely assessed markers of anaemia including mean corpuscular haemoglobin were identified as predictors of poor general cognition and both extremes (low and high) of mean corpuscular haemoglobin concentration were associated with poor immediate recall (p = 0.0253). The predictors of poor cognition which consistently improved model performance across all models were measures of atmospheric pollution, in particular, lead, carbon monoxide, and particulate matter. Feature analysis demonstrated a significant negative relationship between low mean corpuscular haemoglobin concentration and high levels of atmospheric pollutants (p < 0.05) highlighting the potential of routinely assessed blood tests as predictive measures of pollution-dependent cognitive functioning, at an individual level. These data demonstrate how routine medical testing and local authority initiatives could identify at-risk individuals, highlighting the potential for targeted, cost-effective medical and social interventions to improve population cognitive health.

Machine Learning-Assisted Development of High-Performance Ethanol Synthesis Catalysts via CO2 Hydrogenation

Abstract The discovery and development of high-performance catalysts, which is crucial across all catalysis areas, requires advanced technologies and innovative approaches. Recently, machine learning (ML) has shown promise in accelerating this process, but its capability and examples of discovery of truly novel catalysts have remained limited. In this study, we describe an ML approach that goes beyond the traditional element pool, incorporating elements that have not been previously studied, to develop highly efficient catalysts for ethanol synthesis via CO2 hydrogenation. Starting with an initial data set of 58 catalysts (274 data points obtained at reaction temperatures ranging from 240–400 °C), we conducted 24 iterations of a closed-loop discovery system (ML predictions + experimental validation), testing a total of 555 catalysts (2477 data points), and building a large experimental data set. More than 50 catalysts with superior activity were discovered through this data-driven approach. The multielemental Pd(0.8)–Au(0.3)/K(2.5)–Sr(1)–Fe(20)–Zn(4)–Cd(2)–Yb(1)–Re(1)/CeO2(25%)-ZrO2 catalyst, where the numbers in parentheses represent weight percent (wt %), was identified as the most effective catalyst for ethanol synthesis (ethanol space–time yield: 8.2 mmol gcat–1 h–1 with a CO2 conversion of 57.6% and an ethanol selectivity of 23.2% under reaction conditions of 360 °C, 4 MPa, 12 L gcat–1 h–1, H2/CO2 = 3/1). Comprehensive characterizations, including in situ/operando techniques such as X-ray absorption spectroscopy (XAS), ambient-pressure X-ray photoelectron spectroscopy (AP-XPS), and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), enable us to highlight the critical roles of each constituting element in improving ethanol synthesis efficiency.

Synergistic nephroprotection by saxagliptin and calcitriol against gentamicin-induced renal injury: integrated regulation of RhoA/ROCK and AMPK/SIRT1/Nrf2 signalling

Miniaturized HOXB13 Mimetics Are Sequence-Specific, Methyl-Sensitive DNA Binders

Abstract Homeobox protein Hox-B13 (HOXB13) is an oncogenic transcription factor that is associated with prostate cancer risk. Unlike most transcription factors (TFs), HOXB13 is a methyl-plus TF and has been shown to be preferentially recruited to DNA prostate cancer risk loci. Here, we miniaturized HOXB13 to create metal-stapled mimetics that can target its cognate primary DNA-binding site in a sequence-specific, methyl-sensitive manner. Targeted profiling of 5-methylcytosine (5mC) recognition using V269X mimetic mutants revealed that leucine can further enhance both methyl sensitivity and methyl specificity through methyl–methyl contact with 5mC and decreased methyl–pi interactions with cytosine. Collectively, our study revealed novel insights into the molecular interactions of HOXB13 with methylated DNA and new tools that will provide a structural basis for future development of a new class of sequence-specific methylated DNA binders.

A three-wave cross-lagged study of reciprocal relations between personal and social resources at work

Characteristics of quasi-stationary Southwest Vortex and its mechanisms affecting precipitation

Photocatalytic Oxidative Coupling of Methane over SrTiO3 Overlayers on Au Nanoparticles

Abstract Photocatalytic oxidative coupling of methane (OCM) is a prevailing method to access multicarbon (C2+) hydrocarbons. However, the kinetically slow C–C coupling of the methyl radical hinders the overall methane coupling reaction and leads to overoxidation side reactions. Here we report photocatalytic OCM over SrTiO3 supported, SrTiO3 overlayer coated Au nanoparticles (Au@SrTiO3). The SrTiO3 support and overlayers capture photogenerated holes to activate the methane C–H bond. C–C coupling between the methyl radical intermediate is rate limiting and occurs with an improved selectivity of 93% over the SrTiO3 overlayers on Au nanoparticles (NPs). The Au@SrTiO3 catalyst is stable for more than 300 h, affording C2H6 with a formation rate of 155 μmol h–1, 7 times that of Au/SrTiO3 without SrTiO3 overlayers. The activity is improved to 1050 μmol h–1 with a C2+ selectivity of 94% by increasing Au@SrTiO3 loading to harvest more light. These figures of merits are comparable with the benchmarking photocatalysts for OCM by elucidating the chemistry of C–C coupling sites.

Dynamic spatial allocation of future non-industrial CO₂ emissions using purpose-based travel demand forecasts

Abstract This study proposes a dynamic spatial allocation framework for estimating future non-industrial CO 2 emissions at the municipal level. Previous studies have largely relied on static allocation approaches that apply present-day spatial distributions based on land-cover, population, or nighttime-light data to future periods without accounting for changes in regional activity patterns. To address this limitation, this study developed dynamic spatial allocation factors by linking purpose-based Origin–Destination (OD) trip forecasts with gross floor area (GFA) data. Building-use-specific trip indicators were developed and used to estimate future changes in GFA for residential, commercial, and public sectors. The estimated future GFA was then used to derive dynamic regional allocation factors for spatially distributing national-scale emission projections. The results showed that changes in GFA exhibited strong correlations with changes in building energy consumption (r = 0.577–0.772), substantially outperforming land-cover-based indicators (r = 0.201–0.279). The calibrated GFA estimation model reproduced the observed GFA with mean absolute percentage errors (MAPE) ranging from 8.31 to 13.47% and coefficients of determination (R 2 ) ranging from 0.978 to 0.996. Independent framework validation using municipal greenhouse gas inventories demonstrated that GFA-based allocation factors effectively represented the observed spatial distribution of emissions. The proposed framework dynamically updates regional allocation factors using future travel demand forecasts, enabling future changes in socioeconomic conditions and land-use patterns to be reflected in emission spatialization. The framework can be used to transform national-scale emission projections into high-resolution regional emission inventories and provides a practical approach for future climate policy assessment and regional carbon-neutrality planning.

Patient-specific, computational model of venovenous extracorporeal membrane oxygenation based on pulse physiology engine

Deficiency of the aryl hydrocarbon receptor in kidney epithelial cells does not influence the development of atherosclerosis

Abstract The aryl hydrocarbon receptor (AHR) is recognised as an important mediator of inflammatory processes, including those in kidney health. Patients suffering from kidney diseases have an increased risk of cardiovascular diseases, such as atherosclerosis. Since the AHR can be activated in the kidney by, e.g., tryptophan metabolites and contribute to inflammatory processes, we hypothesized that a deficiency of the Ahr in the kidney epithelium in mice fed a high-fat diet could impact the development of atherosclerosis by altering renal function. We analysed Apoe −/− Cdh16 Cre Ahr fl/fl mice in comparison to Apoe −/− Ahr fl/fl after feeding a 12-week high-fat diet in terms of systemic inflammation, plaque, and kidney phenotype. Accordingly, we found that the absence of Ahr in the kidney epithelium did not affect atherosclerotic outcomes and, surprisingly, did not alter the kidney phenotype with respect to inflammation or fibrosis. We therefore concluded that a high-fat diet does not sufficiently drive an AHR-mediated response in kidney epithelium, which could contribute to plaque development.

Driving mechanisms of forest ecological product value realization using fsQCA analysis of 43 cases in China

Experimental and numerical investigation of the synergistic rock-breaking mechanisms of double disc cutters under multi-mode loading

Abstract The full-face tunnel boring machines (TBMs) serve as core equipment in tunnel engineering, where the synergistic rock-breaking mechanism and efficiency of the disc cutter system being key scientific issues determining tunneling performance. Given that the synergistic effect and efficiency evolution of the double disc cutters system under multi-mode loading remain poorly understood, this study systematically reveals the physical mechanisms and efficiency evolution characteristics of rock fragmentation by double disc cutters under multi-mode loading through a combined approach of theoretical modeling, indentation testing and numerical simulation. Based on the crack propagation distribution characteristics, theoretical models for the normal and rolling forces of the disc cutter were established. Digital image correlation (DIC) technology was used to conduct in-situ observations of double disc cutters indentation tests, and a numerical model capable of reproducing the dynamic rock-breaking process was constructed. This study systematically clarified the dynamic rock-breaking mechanism and rock damage evolution of double disc cutters, and quantitatively analyzed the intrinsic mechanisms of cutter spacing on rock failure modes and rock-breaking efficiency. The results showed that the distribution of rock fracture areas under different rock-breaking modes differed significantly: The synergistic mode exhibited concentrated fragmentation between disc cutters, while the independent mode was mainly confined to beneath and on both sides of a single cutter. Stress field interference effects (simultaneous loading) and free surface effects (sequential loading) are the key physical mechanisms that dominate the efficiency evolution. As the cutter spacing increased, the rock-breaking force exhibited a non-monotonic trend, initially increasing before stabilizing. The rock-breaking volume and area exhibited an initial increase, followed by a decrease, and eventual stabilization. The specific energy exhibited an opposite “U”-shaped evolution pattern, verifying the existence of optimal cutter spacing. The efficiency evaluation further demonstrated that when the ratio of cutter spacing to penetration depth (S/P) was approximately 12 (simultaneous loading) and 14 (sequential loading), the system achieved the lowest specific energy and the optimal rock-breaking efficiency. This study provides important theoretical guidance for optimizing the TBM cutterhead layout and controlling tunneling parameters.

<i>In Situ</i> Construct of Zn–In Alloy Layer by In(BF4)3 Additive to Stabilize Zn Anode and Realize Ultra-High Reversible Zinc–Air Batteries

Abstract Aqueous zinc–air battery (ZAB) is considered as a promising long-term energy storage technology due to its low cost, high safety, and high theoretical energy density. However, the zinc (Zn) anode suffers from issues such as dendrite growth, hydrogen evolution reaction (HER), corrosion, passivation, and volume deformation during cycling. To enhance the interfacial stability and deposition/dissolution behavior of the Zn anode, this work introduces indium tetrafluoroborate (In(BF4)3) into the electrolyte as a functional additive. The results demonstrate that the incorporation of indium (In) effectively regulates Zn nucleation behavior, promotes uniform Zn deposition, and significantly suppresses dendrite formation. Moreover, the dynamic alloy interface formed with In participates in reversible redox reactions that enable local defect self-healing, thus improving interfacial integrity and the compactness of the deposited structure. After modification, the ZAB achieves an ultralong cycle life of over 400 h under a current density of 5 mA cm–2 and 20 min per cycle, and ultrahigh reversibility for 320 h at current density of 2 mA cm–2 and 4 h per cycle under high depth of discharge/charge. The ZABs with In(BF4)3 additive exhibit reduced voltage polarization and excellent rate capability at various current densities, exhibiting enhanced cycling stability and electrochemical performance significantly. This work shows clearly the strategy of in situ constructing a Zn–In alloy layer by electrolyte engineering, which can guide the design and preparation of a stable Zn anode for not only ZABs but also the other Zn-based batteries.

Hybrid deep learning and meta learning for Alzheimer disease classification via multimodal radiomic and visual features

Absolute and relative temporal muscle volume and one-year all-cause mortality in older adults with stroke

Abstract Temporal muscle measurements from cranial CT scans have been proposed as surrogate markers of sarcopenia and predictors of poor outcomes in older adults with acute ischemic stroke. However, the prognostic value of temporal muscle volume (TMV), especially in diverse populations, remains unclear. We aimed to evaluate whether temporal muscle morphometry predicts one-year mortality in older adults admitted to the hospital with ischemic stroke. This retrospective cohort study included patients aged ≥ 60 years admitted with acute ischemic stroke at a tertiary hospital in Bogotá, Colombia. TMV was measured from baseline CT scans using manual segmentation. Volume was represented as both an absolute and a relative value (adjusted by height and BMI). Sex-specific cut-offs were defined using maximally selected rank statistics. Cox proportional hazards models (adjusted for age and NIHSS) assessed associations between muscle parameters and one-year all-cause mortality. Assumptions of proportionality were tested using Schoenfeld residuals. Kaplan–Meier curves and log-rank tests were used to evaluate survival differences. Among 376 participants (median age 77, 51% female), one-year mortality was 23%. TMV was lower in deceased patients. However, none of the TMV-based variables predicted mortality. Elevated NIHSS remained a strong predictor of mortality in all models (adjusted HR ~ 3.5). TMV was not a significant predictor of 1-year mortality after stroke. Stroke severity remains the most robust predictor of mortality in older adults; however, further research is needed to clarify the prognostic role of TMV in post-stroke functional recovery and survival.

Health risk assessment of enrofloxacin, oxytetracycline, and sulfadimidine residues in broiler chicken carcasses marketed in Mit Ghamr, Egypt

Abstract The widespread use of antibiotics in poultry production raises concerns about drug residues in chicken tissues and associated public health risks. Chicken tissue samples ( n  = 180; 60 each from breast, thigh, and liver) were purchased from various poultry shops in Egypt and analyzed using high-performance liquid chromatography (HPLC). Residues of enrofloxacin, oxytetracycline, and sulfadimidine were detected in 51.67% (93/180), 71.67% (129/180), and 16.67% (30/180) of chicken samples, respectively. Interestingly, 54.84% (51/93) of enrofloxacin-positive samples, 55.81% (72/129) of oxytetracycline-positive samples, and 70% (21/30) of sulfadimidine-positive samples exceeded the maximum residue limits (MRLs). Among the 180 samples of each of chicken breast, thigh, and liver samples, 5% of each tissue type contained the three antibiotics tested, while 40% of chicken breasts and 50% of both thighs and liver samples contained two of the three antibiotics. HPLC analysis revealed mean concentrations of 90.4, 317.7, and 573.3 µg/kg for enrofloxacin, oxytetracycline, and sulfadimidine, respectively, in chicken breasts; 161.5, 964.1, and 47, respectively, in chicken thighs; and 1707.3, 10,625, and 3848.1, respectively, in livers. The estimated daily intake (EDI) for antibiotics analyzed in chicken tissue among consumers was between 0.012 and 0.590 µg/kg body weight/day. The Hazard quotient (HQ) values of enrofloxacin, oxytetracycline, and sulfadimidine ranged between 0.0006 and 0.050 for schoolchildren, 0.0003 and 0.022 for women, and 0.0002 and 0.021 for men, respectively. Among the different age groups of the Egyptian consumers, schoolchildren had the highest daily intake and hazard quotient values of antibiotic residues from chicken tissue. The HQ values for tested antibiotics indicated no significant health risk for either adults or children, although children showed relatively higher values. Overall, the findings highlight the need for strict antibiotic monitoring, with consideration of their withdrawal periods in the veterinary field, to ensure food safety and to protect public health.