bluuebunny/crossref_metadata_2025 huggingface dataset:
The Role of Digital Footprints for Destination Competitiveness and Engagement: Utilizing Mobile Technology for Tourist Segmentation Integrating Personality Traits
Authors: Moisa Delia Gabriela , Parapanos Demos , Heap Tim
Published: February 2025

This study presents a novel approach to tourism market segmentation by integrating personality traits to enhance traditional demographic methods. In partnership with Cumbria Tourism (local DMO), this study conducted in Cumbria, UK, home of the Lake District National Park, the research utilized 1217 quantitative surveys to analyse visitor personality traits, motivations, and activities. Through factor and cluster analysis, five unique visitor segments were identified: Reserved Explorers, Culturally Curious, Diligent Adventurers, Social Explorers, and Balanced Explorers. Each segment displayed distinctive traits, motivations, and activities, further supplemented by chi‐square tests that highlighted socio‐demographic differences. The findings underscore the value of incorporating personality traits through digital footprints for dynamic segmentation. This methodology not only offers deeper insights into visitor profiles, but it also aids in developing customized marketing strategies and products, determining activity preferences and providing a competitive edge for tourism destinations globally.
Quantification of mRNA Using 31P NMR Spectroscopy and CRAFT
Authors: Khirich Gennady , Noreika Vanessa A. , Catlin Kaitlyn Doolittle , Napolitano José G. , Russell David J. , Birkholz Oliver , Schumacher Jens , Haas Heinrich , Skidmore Ken
Published: February 2025

Messenger RNA (mRNA) has emerged as a promising therapeutic modality in vaccine development due to its safety, efficacy, and rapid development potential. Reliable measurement and comparison of mRNA concentration in different chemical environments are crucial for research and manufacturing purposes. Conventionally, UV spectroscopy is used for quantification. However, variability in solution conditions, such as ionic strength, may influence the measurement of the UV absorbance at 260 nm, A260. This therefore necessitates accurate calibration of the extinction coefficient, ε, at a given set of solution conditions to the concentration of mRNA, as measured by an orthogonal and quantitative method. To that end, we utilized quantitative 31P NMR spectroscopy. We outline a general quantitative treatment of mRNA samples that may contain multiple polyadenylated mRNA sequences and show that the bias introduced by the method's assumptions into the measured mRNA concentrations is expected to be ≤ 4%. We also identified the limitations and subjectivities of accurate integration‐based measurement of broad mRNA resonances in the frequency domain through a mini round‐robin study. Quantification of broad mRNA signals using CRAFT in the time domain is shown to be superior to integration, as any subjectivity potentially introduced by the operator during spectral processing is obviated. This enables the use of 31P qNMR to accurately quantify total mRNA content and thus accurately calibrate mRNA extinction coefficients.
A Decomposition–Consolidation Model for the Production Behavior of Gas Hydrate‐Bearing Sediments
Authors: Ye Zhigang , Wang Lujun , Zhu Bin , Yuan Simin , Yan Bingfa , Guo Ronghan , Chen Yunmin
Published: February 2025

Natural gas hydrates are the preferred alternative to traditional fossil fuels, estimated to store twice as much carbon. The gas hydrate‐bearing sediment (GHBS) is a representative degradable soil. During gas hydrate production, solid mass loss and pore liquid/gas generation occur, including both decomposition and consolidation processes of GHBS. These potentially trigger reservoir collapse, severely affecting production safety. This study develops a decomposition–consolidation model for GHBS, quantifying the solid hydrate loss by the kinetic decomposition equation and describing skeleton deformation via both modified elasticity and volumetric strain relationships. By linking hydrate saturation with the representative parameters of hydrate decomposition, mass migration, heat transfer, and skeleton deformation, decomposition degree and consolidation degree are respectively introduced to assess these processes. The decomposing and mechanical parameters are calibrated through triaxial/modeling tests. Results show that consolidation degree and decomposition degree are not synchronized in sandy hydrate‐bearing sediments, where depressurization‐induced variation of consolidation degree predominates in the early stage, while the evolution of consolidation degree lags behind decomposition degree for temperature recovery after complete hydrate decomposition; hydrate decomposition‐induced skeleton deformation, significant compared to pore pressure dissipation, remains crucial long after complete depressurization. These findings provide insights into optimizing safety of long‐term gas hydrate production.
New Semi‐Analytical Shell Elements
Authors: Li Jianghuai
Published: February 2025

New semi‐analytical shell elements are developed using the scaled boundary finite element method. A shell element is treated as a three‐dimensional continuum whose midsurface, the generalized “boundary” of the continuum, is characterized with a quadrilateral spectral element. It is along the thickness direction ξ that the midsurface is scaled to represent the three‐dimensional geometry and that the analytical displacement solution is sought. Neumann expansion is used to approximate the inverse of the Jacobian as a quadratic matrix polynomial of ξ while the assumed natural strain method is applied to alleviate the shear and membrane locking. The virtual work principle considering body forces is utilized to derive the scaled boundary finite element equation, which is directly solved via the differential quadrature method. Numerical examples show that the shell elements with five displacement sampling points along ξ can efficiently analyze thin to very thick general shells.
Global cancer burden attributable to excess body weight, 1990 to 2021, decomposed by population size, aging, and epidemiological change
Authors: Feng Xiaoru , Li Ruoqian , Yi Hang , Chen Shuyi , Liu Meng , Wu You
Published: February 2025

Objective

The objective of this study was to estimate cancer burden attributable to excess body weight (EBW) and identify its main source.

Methods

We obtained relative risks from meta‐analyses, cancer and population data from the Global Burden of Disease Study (GBD) 2021, and BMI prevalence data from the NCD Risk Factor Collaboration (NCD‐RisC). We calculated the incidence of 11 cancers attributable to high BMI from 1990 to 2021, analyzed trends using joinpoint regression, and assessed cohort effects with the age‐period‐cohort model. Decomposition analysis was conducted by cancer‐specific risk factors and by population size, aging, and epidemiological changes.

Results

The incidence of 11 EBW‐related cancers has increased from 1990 to 2021. Later‐born cohorts and older age groups had higher cancer incidence rates. High BMI was the top contributor to changes in cancer burden (15.96% of all disability‐adjusted life years [DALYs]), particularly in high Sociodemographic Index (SDI) regions. Colorectal, esophageal, and liver cancer had the highest burden due to high BMI (1,349,622; 1,284,385; and 944,616 DALYs, respectively). Epidemiological changes in BMI contributed to the rising DALY burden, ranging from 7.88% for postmenopausal breast cancer to 49.20% for liver cancer.

Conclusions

The rising prevalence of EBW contributed to the global cancer burden, showing a significant birth cohort effect. High BMI was the top contributing factor to obesity‐related cancers, surpassing other epidemiological risk factors.

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Management and Outcomes in Isolated Congenital Aqueductal Stenosis: A Single‐Center Retrospective Cohort Study
Authors: Sambatur Enaja V. , Qaderi Shohra , Soldatelli Matheus D. , Castillo Jonathan , Castillo Heidi , Northam Weston T. , Warf Benjamin C. , Chmait Ramen H. , Krispin Eyal , Grant Patricia Ellen , Shamshirsaz Alireza A.
Published: February 2025

Objective

Our objective was to investigate prenatal imaging findings, clinical course and outcomes associated with isolated congenital aqueductal stenosis (ICAS).

Method

A retrospective study was conducted in the period of 2010–2023, including patients with ICAS confirmed postnatally who were imaged prenatally with ≥ 1 year of follow‐up. Patients with additional anomalies (structural or genetic) were excluded. Neurodevelopmental outcomes were verified by pediatricians, and imaging underwent standardized measurement by a neuroradiologist.

Results

Twenty‐one patients were prenatally diagnosed with ICAS, at a median gestational age (GA) of 19.7 weeks. Overall, 13/14 patients exhibited a fronto‐occipital horn ratio (FOHR) > 0.5, indicating clinically significant ventriculomegaly in initial MRI at 18–32 weeks GA. There was an increase in the median size of the third ventricular coronal width from 7 mm in prenatal imaging to 12 mm in postnatal imaging (p = 0.01). Twenty patients (95.2%) required shunting or endoscopic third ventriculostomy and bilateral choroid plexus cauterization (ETV/CPC), with 10 undergoing multiple CSF diversion procedures during follow‐up. Among the study group, nine patients experienced epilepsy, 6/8 aged < 5 years exhibited global developmental delay, and 6/12 aged ≥ 5 years required special education services.

Conclusion

Our findings indicate a progressive increase in prenatal ventricular sizes, with most children requiring hydrocephalus treatment and experiencing neurodevelopmental impairment.
Substance Use Related to School Dropout: A Systematic Review and Meta‐Analysis
Authors: Zhu Dongxue , Wang Fan , Wang Shaojie , Cao Leilei , Tong Yingying , Xie Faliang , Wang Gengfu , Su Puyu
Published: February 2025

Substance use among school dropou'ts is a growing global concern that has not been assessed through a meta‐analysis. This study aims to provide an overview of the relationship between school dropout and substance use. We searched the PubMed, Embase, Web of Science, Cochrane Library, PsychINFO, ERIC (EBSCO), MEDLINE (EBSCO), and CINAHL (EBSCO) databases for all studies up to April 22, 2024. Articles were pooled using a random effects model to estimate the odds ratios and 95% confidence intervals (CIs). The results revealed that the risk of tobacco use among dropouts was 1.92 times higher compared to nonschool dropouts (1.92 [95% CI: 1.32, 2.79]), and 1.91 times higher for using drugs (1.91 [95% CI: 1.63, 2.23]). Subgroup analysis indicated that high school dropouts with a General Educational Development credential did not alleviate substance use (1.98 [95% CI: 1.57, 2.51]). The pooled effect of injecting drug use was higher than other drug use among dropouts (2.22 [95% CI: 1.85, 2.66]). Schools should provide timely attention to students at risk of dropping out, offer academic support and mental health services, and work closely with parents to mitigate the incidence of student dropout and substance use.
Mental Health and Personality Functioning of People With Probable Personality Disorder Who Have Coexisting Complex Post Traumatic Stress Disorder
Authors: McBride Sapphira , Goulden Nia , Barnicot Kirsten , Corrigan Kieron , Shen Sophie , Guillemard Serena , Effiom Violet , Harrison Gemma , Nyathi Lizwi , Charles Lyn , Pandya Snehal P. , Leeson Verity , Evans Rachel , Crawford Mike J.
Published: February 2025

This paper examines the prevalence and comorbidity of complex post‐traumatic stress disorder (CPTSD) and borderline personality disorder (BPD) among individuals with probable personality disorder, using baseline data from the Structured Psychological Support clinical trial. The clinical characteristics and personality functioning of participants are summarised and compared between those meeting criteria for BPD, CPTSD, both or neither condition. Among 292 participants, 97% reported significant trauma exposure, and over half met the criteria for CPTSD. Those with CPTSD exhibited higher levels of social dysfunction and depression compared with those with BPD, despite both groups showing elevated emotion dysregulation and anxiety. Comorbidity of CPTSD and BPD was high, with 50% of the sample meeting criteria for both conditions. Participants with comorbid CPTSD and BPD displayed poorer baseline scores across all measures of mental health and functioning than those who met criteria for BPD alone. No statistically significant differences were found in suicidal behaviour or treatment‐seeking between groups. There were no significant differences in International Classification of Diseases‐11 personality trait domains between participants with CPTSD and BPD, but people with comorbid CPTSD and BPD displayed higher levels of trait negative affectivity than those with BPD alone. The findings highlight the need for trauma‐informed assessments in clinical settings and a better understanding of the impact of CPTSD on treatment outcomes for people with personality disorder, including how existing treatments may need to be modified to better meet the needs of people with these highly comorbid conditions.

Trial Registration

Current controlled trials ISRCTN13918289 (registered 11/11/2022)
Prostate Extracellular Vesicles and Prognostic Biomarkers of Clinically Significant Prostate Cancer: A Prospective Single‐Institution Pilot Study
Authors: Britton Cameron J. , Andrews Jack R. , Arafa Ali , Kim Yohan , Latuche Laureano Rangel , Schulte Phillip J. , Joshi Vidhu B. , Ahmed Mohamed E. , Jeffrey Karnes R. , Lucien Fabrice
Published: February 2025

Background

Commercial biomarkers and multiparametric MRI (mpMRI) have been utilized to triage men with elevated prostate specific antigen (PSA) and determine patients most likely to harbor clinically‐significant prostate cancer (csPCa). We studied combinations of mpMRI, PSA‐based and novel extracellular vesicle (EV)‐based biomarkers to determine the optimal pre‐biopsy testing to predict csPCa at biopsy.

Methods

Men presenting with elevated PSA (≥ 2 ng/mL) were prospectively enrolled and all men underwent clinically indicated mpMRI and blinded study blood draws to determine PSA, prostate health index (PHI) scoring, and EV serum levels. MRI‐fusion transperineal prostate biopsy was performed in all patients. Sensitivity, specificity, positive predictive value, and negative predictive value were calculated, and receiver operator characteristic (ROC) curves were constructed. Bootstrapping analysis was performed to provide more accurate assessment of predictive abilities.

Results

Ultimately, 175 consecutive men were prospectively enrolled. Median age in the study population was 65 years. Combinations of biomarkers and MRI demonstrated better predictive ability for csPCa on biopsy than individual modalities. Predictive ability was greatest for PHI density (PHID)‐mpMRI with an AUC of 0.86 (95% CI: 0.80–0.92) while combinations of PSA density ‐mpMRI (AUC: 0.81; 95% CI: 0.73–0.89) and STEAP1‐mpMRI (AUC: 0.77; 95% CI: 0.70–0.86) demonstrated similar ability to predict csPCa. The study is limited by small, predominantly white patient cohort and requires external validation.

Conclusions

Inclusion of prostate density with biomarkers increases prognostic ability for detecting csPCa. EV density can refine prediction of csPCa and in combination with PHID‐mpMRI leads to superior specificity, thereby decreasing unnecessary biopsies.
Methuselah‐like 2 mediated 20‐hydroxyecdysone (20E) signaling regulates molting and fecundity in Nilaparvata lugens (Stål) (Hemiptera: Delphacidae)
Authors: Zhao Xudong , Dong Qiaoqiao , Zhu Haowen , Ding Yuting , Deng Di , Miao Hong , Tan Yongan , Ge LinQuan
Published: February 2025

BACKGROUND

G protein‐coupled receptors (GPCRs) are very promising as the targets of endogenous neuropeptides/neuromodulators that, upon binding to receptors, induce profound changes in insect physiology. The Methuselan/Methuselan‐like subfamily of GPCRs is reported to be associated with longevity and stress resistance. A previous study showed the fungicide jingangmycin‐induced expression of Mthl2 and enhanced stress resistance in Nilaparvata lugens. However, the other physiological functions of Mthl2 remain unelucidated.

RESULTS

The Mthl2 was highly expressed before molting and decreased after that until the next ecdysis, showing a cyclical pattern related to molting behavior and predominantly distributed in cuticle‐producing and reproductive tissues in N. lugens. Silencing Mthl2 by RNAi in nymphs disrupted the synthesis of 20E, caused downregulation of the 20E signaling‐related genes, and further affected the transcription of cuticular proteins. Moreover, it led to the malformation of the integument structure and a declined emergence rate, whereas exogenous 20E could rescue the declined emergence rate caused by knockdown of Mthl2. Furthermore, depletion of Mthl2 through RNAi in the N. lugens nymphal stage influenced the development of the ovaries and fecundity in female adults. The soluble protein content in reproductive tissues, the protein and transcript levels of Vitellogenin (Vg) were significantly decreased after silencing of Mthl2, ultimately leading to a decline in the number of offspring with an obviously transgenerational consequence.

CONCLUSION

The current study revealed the physiological functions of Mthl2 in molting and fecundity of N. lugens, which can be used as an RNAi‐based insecticide discovery to control this pest. © 2025 Society of Chemical Industry.
RNAi technology development for weed control: all smoke and no fire?
Authors: Panozzo Silvia , Milani Andrea , Bordignon Serena , Scarabel Laura , Varotto Serena
Published: February 2025

RNA interference (RNAi) technology, specifically Spray‐Induced Gene Silencing (SIGS), holds potential as an innovative approach for selective weed control, promising environmentally friendly alternatives to traditional herbicides. Although the development of RNAi‐based crop protection agents against pathogens, insects and viruses is advancing rapidly, RNAi‐based weed control remains in the nascent stages, with challenges in gene target specificity and effective delivery mechanisms. It is potentially a game‐changer in agriculture, yet SIGS's applicability is limited by the lack of scientific evidence. The overall aim of this review is to focus attention on critical points that need to be addressed to advance the knowledge about and development of RNAi herbicides, and overcome the poor progress achieved so far. Enhancing RNAi delivery methods and focusing on high impact weed species could transform SIGS into a viable tool for sustainable agriculture. © 2025 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Phase Transitions and Magnetic Behavior in Ferromagnetic X2YZ Heusler Alloys
Authors: Jalal El Mostafa , Kerrai Hamza , Saadi Hasnae , Hasnaoui Abdellatif , Zaim Ahmed , Kerouad Mohamed , El Bouziani Mohammed
Published: February 2025

The full Heusler alloy X2YZ, known for its relatively specific Curie temperature, is considered a promising candidate for diverse applications. Therefore, a theoretical study using mean‐field theory based on the Bogoliubov inequality for Gibbs free energy within the framework of the Ising model is essential for gaining a deeper understanding of the magnetic behavior of this material. In this work, the magnetic properties of an X2YZ full Heusler alloy are investigated, composed of mixed spins (2, 5/2). The study focused on the magnetic properties, where phase diagrams and magnetizations are obtained numerically. The model reveals both second‐ and first‐order phase‐transition lines, as well as tricritical and reentrant behaviors. The critical behavior is discussed and compared with previous studies on Ising systems.
A Novel Monitoring Function Based Boundary Force Controller Design for PDE Modeling Flexible Manipulator With Uncertain Control Directions
Authors: Ma Xinyang , Wang Chenliang , Liu Jinkun
Published: February 2025

A contact force control and vibration suppression problem for a one‐link flexible manipulator with uncertain control directions and input constraints is discussed in this paper. The flexible manipulator is described by a PDE (Partial Differential Equation) model. Nussbaum function is a widely used method to address the challenge of uncertain control directions. However, the Nussbaum function has notable drawbacks such as uncontrollable amplitude increase, frequent controller gain direction changes, and an indeterminate final gain value. To overcome these drawbacks, we propose a novel boundary controller design that integrates a monitoring function to evaluate the current gain direction and a switching scheme to determine if and when the gain direction should change. This allows us to achieve the force control and vibration suppression with uncertain control directions. Importantly, our proposed controller offers several advantages: (1) it enables simultaneous satisfaction of input constraints, (2) ensures a maximum of one change in controller gain direction before convergence to the correct direction, and (3) allows for the specification of a definitive final value for the controller gain. The effectiveness of the proposed controller is verified by numerical simulation.
Forever but not everywhere? Unexpected non‐detection of per‐ and polyfluoroalkyl substances (PFAS) in major Philippines rivers
Authors: Byrne Patrick , Biles Emma , Cui Loucel , Williams Richard , Faustino‐Eslava Decibel V. , Quick Laura , Casa Manilyn , Gonzalvo Francis Ian P. , Regalado Maria Regina V. , Cabrera Kim Bryan N. , Tenio Kit Felian C. , Padrones Jenielyn , Guotana Juan Miguel , Hudson‐Edwards Karen A. , Vasilopoulos Grigorios , Coulthard Thomas J. , Tortajada Cecilia , Villanueva‐Peyraube Jessica D. , Sevilla‐Nastor Janice B. , Domingo Justine Perry T. , Megson David
Published: February 2025

Recent studies suggest per‐ and polyfluoroalkyl substances (PFAS) are ubiquitous in rivers worldwide. In the Asia‐Pacific region, the frequency of PFAS detection in rivers is increasing. However, the overwhelming majority of studies and data represent high population and urbanized river catchments. In this study, we investigate PFAS occurrence in major Philippines river systems characterized by both high and low population densities. In the Pasig Laguna de Bay River, which drains a major urban conurbation, we detected PFAS at concentrations typical of global rivers. Unexpectedly, we did not detect PFAS in river water or sediments in low population density river catchments, despite our instrument detection limits being lower than the vast majority of river concentrations reported worldwide. We hypothesize that septic tanks, as the dominant wastewater treatment practice in Philippines catchments, may control the release of PFAS into groundwater and rivers in the Philippines. However, no groundwater PFAS data currently exist to validate this supposition. More broadly, our findings highlight the need for more representative PFAS sampling and analysis in rivers to more accurately represent regional and global detection frequencies and trends.
Rethinking Synergies and Trade‐Offs at the Forest‐Sustainable Development Goals (SDGs) Nexus—A Systematic Review
Authors: Ahrens Dominic , Benedikter Simon , Giessen Lukas
Published: February 2025

Forests play a critical role in achieving the Sustainable Development Goals (SDGs), yet their contributions are often misunderstood and inadequately addressed in the scientific discourse. This study clarifies the intricate relationships between forests and the SDGs by examining the contextual factors that influence this interplay. Through a systematic literature review, we adopt a mixed‐methods approach that integrates quantitative mapping of themes with qualitative analysis of key forest‐SDG nexuses. Our analysis reveals that forests' contributions to specific SDGs, particularly SDGs 2 (Zero Hunger), 13 (Climate Action) and 15 (Life on Land), are not uniform but vary significantly based on forest type, condition, and management practices. These contributions are also linked to the degree of success in realizing these goals over time. Key findings indicate that previous studies have often treated forests as static entities, overlooking the complexity of their relationships with SDGs. For instance, in the case of SDG 13 (“Climate Action”), forests are frequently lauded for their synergetic contributions, while potential trade‐offs and evolving dynamics are neglected. Similarly, earlier studies have treated the SDGs as homogeneous entities, generalizing their impacts on forests. However, distinct facets within each SDG can influence the forest relationship in nuanced ways. Our findings reveal that even within specific SDG targets, such as SDG target 2.3, the connection to forests can be interpreted differently. This review contributes to a deeper understanding of the socio‐ecological systems shaping forest‐SDG outcomes, advocating for a nuanced perspective to foster informed policy‐making and sustainable forest management.
How Can SDG‐13 Be Achieved by Energy, Environment, and Economy‐Related Policies? Evidence From Five Leading Emerging Countries
Authors: Kartal Mustafa Tevfik , Mukhtarov Shahriyar , Depren Özer , Ayhan Fatih , Ulussever Talat
Published: February 2025

The adverse effects of climate change on humanity have been escalating due to environmental degradation. Consequently, nations have been compelled to implement measures to address climate‐related challenges. Within this framework, traditional and recently acknowledged factors play a pivotal role in achieving SDGs, particularly SDG‐13. This study empirically examines the influence of newly recognized factors, such as the energy transition index (ETI) and environmental policy stringency (EPS), alongside traditional factors like gross domestic product (GDP), renewable energy use (REU), and foreign direct investments (FDI), on the environment, measured through ecological footprint and load capacity factor. Focusing on leading emerging economies—excluding Indonesia and Mexico due to data limitations—the study utilizes data from 2000 to 2020 and applies the kernel‐based regularized least squares (KRLS) approach under the marginal effect framework to explore this nexus. The findings indicate that (i) GDP and FDI do not exhibit environmentally friendly characteristics across the examined countries; (ii) REU contributes to environmental preservation only in Brazil; (iii) ETI and EPS do not significantly enhance environmental quality in any of the countries studied; (iv) the KRLS approach demonstrates high predictive accuracy, achieving a 99.6% success rate across various models. Overall, the research highlights the differential marginal effects of these factors on the environment, which vary by factor, percentile, and country. Based on the empirical evidence, the study discusses policy implications for the five leading emerging economies to effectively pursue SDG‐13 by leveraging the identified factors.
ON/OFF Switchable Smart Poly(N‐isopropylacrylamide) Based Hybrid Nanocatalyst for the Response Surface Methodology Based Catalytic Reduction of 2‐Nitroaniline
Authors: Alam Mir Waqas , Usman Sheikh Muhammad , Naeem Sumaira , Zaidi Noushi , Sadaf Shima , Naseem Khalida
Published: February 2025

Developing smart nanocatalysts capable of modulating the reaction rate is one of the recent research domains currently being explored by scientific academia to address wastewater issues. This study the core@shell assembly was developed via two step methodology (chemical reduction of salt for AgNPs synthesis, followed by the emulsion polymerization step for polymeric shell formation). The TEM micrographs show that the average size of the single assembly particle was found to be less than 20 nm which was utilized as a nanocatalyst for the (CRR) of 2‐Nitroaniline (2‐NA). The RSM based optimization of the parameters associated with the CRR of the 2‐NA was performed and 100% reduction of 2‐NA with the apparent rate constant (kapp) value of 2.583 min−1 was documented under the optimized conditions of [2‐NA] = 0.025 mM, [AgNPs@PNIPAM‐AAC HNGs dose] = 4.5 mg mL−1, [NaBH4 dose] = 15 mM, temperature = 30, and pH = 6.00 units. Detailed thermodynamic analysis performed for investigating the impact of transitions associated with the polymeric shell with temperature change (5 to 70) revealed that maximum reduction was achieved at 30 where polymeric shell was present in the swelled state to reduce any diffusional barrier in the system.
Molecular Dynamics and DFT Structural, Spectroscopic, Electronic, and Biochemical Characterization of 2‐(1‐Methyl‐2‐Oxoindolin‐3‐Ylidene) Malononitrile Using Noncovalent Interaction Analysis
Authors: Arman Md , Javed Mohd , Sidrat  , Danish Md Saiful , Alima Sheikh , Haider Md , Nadeem Mohd , Javed Sadiq , Khan Maaz , Haq Nazrul , Siddiqui Nazia , Javed Saleem , Divya P.
Published: February 2025

DFT method was used for quantum computational investigations such as structure optimization IR spectrum, Raman and UV–vis spectroscopy. The gas phase was employed for molecular geometry optimization and wavenumber calculations, whereas the TD‐DFT calculation was performed in gas, methanol, and DMSO. PED was evaluated using VEDA software. Hirshfeld surface analysis was undertaken to explore interaction between molecules on the crystal surface, confirming considerable contribution from O…H (10.6%), C…H/H…C (13.4%), C…C (16.2%), H…H (15.9%), and N…H / H…N (38.4). MEP maps, Chemical reactivity, and surface area assessment were also investigated. The ELF was utilized to show electron delocalization inside the molecule. Topological investigation assessment of Mullikan distribution of charge was also accomplished. We utilized NBO analysis to evaluate charge transfer between molecules. The impact of temperature on thermodynamic parameters such as entropy, enthalpy, and Gibbs free energy was investigated. Theoretical bioactivity of the compound was tested using the electrophilicity index. Binding interactions between the ligand and the proteins 8FH8, 8FH7, 8FH5, 4JIR, and 4JIH were explored using molecular docking techniques. The molecular characteristics were identified based on its drug‐like properties. To investigate biomolecular stability, we employed a molecular dynamics simulation (MDS).
Metal Organic Nanotube as an Efficient Ligand Support Platform: The Catalytic Properties of Supported Amino Alcohol Ligand in Henry Reaction
Authors: Di Wen , He Zhiyu , Liu Bingnan , Chi Haijun , Gu Yu , Wang Lei , Lu Gonghao
Published: February 2025

Copper organic nanotube (CuONT) was used as a ligand support platform to simply load a chiral amino alcohol ligand (L) with two coordination centers to give the catalysts (5%–20% CuL/CuONT). Then, the catalytic properties of these catalysts for Henry reaction were studied. Under the optimized conditions, the reaction yields were 66.5%–87.4% and the ee values were 83.1%–93.7% in 11 aromatic aldehydes in tetrahydrofuran at room temperature. Compared with the catalytic results of the unsupported ligand L, the yields and ee values are slightly lower. However, this study has achieved an effective recovery and reuse of metal ions and ligands, which effectively reduce the catalytic costs and conform to the green chemistry concept. Moreover, the recovered catalyst 10 %L/CuONT was used in a large‐scale reaction up to 25 mmol and then the subsequent 5 recycling processes. It is found that the catalytic activities and ee values show no significant decrease, and even the yield is slightly higher than that of the newly prepared catalyst. These results demonstrate that it is an effective way to use MONT as a two coordinate ligand carrier for preparing recyclable catalysts.
A Phosphorus–Nitrogen–Boron Cooperative Flame Retardant and Antibacterial Reagent for Cotton Fabric
Authors: Zhang Yamei , Luo Ruilin , Tian Xifeng
Published: February 2025

Antibacterial, flame‐retardant textiles are the preferred materials for curtains, carpets, home furnishings, and clothing in public places and have important significance. The phosphorus–nitrogen–boron cooperative effects promote good flame‐retardant properties for cotton fabrics, while a halamine structure imparts excellent antibacterial properties. A novel antibacterial, eco‐friendly flame‐retardant agent was prepared and applied as a permanent antibacterial flame‐retardant finishing of cotton fabrics. Cotton fabrics treated with the flame‐retardant antibacterial agent display self‐extinguishing performance, with an average burned length of approximately 65 mm and an oxygen index of more than 31%. After sodium hypochlorite bleaching activation, the gold‐colored Staphylococcus aureus and Escherichia coli reached a logarithmic value of more than 5, indicating outstanding bactericidal performance. The test results of XPS, CCT, and TG‐IR show that the flame‐retardant mode of action of APBN flame‐retardant cotton fiber is mainly condensed‐phase flame retardant and supplemented by the gas phase. Based on the comprehensive evaluation of antibacterial, flame retardant, and physical properties, this paper reports a composite antibacterial flame retardant and obtains cotton fabric with good antibacterial and durable flame‐retardant properties.
Self‐Assembly of H2S‐Generating Photosensitizer for Gas‐Assisted Synergistic Photothermal Therapy
Authors: Kong Hao , Tang Ying , Hao Xiaoying , Feng Wenbi , Jiang Wanyan , Mu Xueluer , Jing Xue , Lu Yingxi , Zhou Xianfeng
Published: February 2025

Photothermal therapy (PTT) is emerging as a promising cancer treatment, but uneven heat distribution increases side effects and reduces treatment precision, where high‐temperature zones risk inducing undesired inflammation, while low‐temperature regions are insufficient due to upregulation of heat shock proteins (HSPs). Herein, a gas‐assisted PTT strategy is designed to link near‐infrared heptamethine cyanine (Cy7) with self‐immolative phenyl thiocarbonate (PTC), a hydrogen sulfide (H2S) donor through a disulfide bond, creating a small‐molecule photosensitizer (Cy7‐SS‐PTC) that can self‐assemble into nanoparticles (NPs) without stabilizers. Upon internalized by cancer cells, Cy7‐SS‐PTC NPs respond to elevated glutathione levels, and simultaneously release Cy7 and H2S via a cascade reaction. The released Cy7 reassembles into nanoaggregates, generating hyperthermia under 808 nm light irradiation, and then binds to albumin, producing strong near‐infrared fluorescence to track tumors for precise treatment. The released H2S not only disrupts the mitochondrial respiratory chain, blocks ATP production, and suppresses HSP70 overexpression to amplify the efficacy of low‐temperature PTT regions but also curbs proinflammatory cytokines in high‐temperature PTT zones, delivering powerful tumor ablation with minimal inflammation. This small‐molecule‐based “H2S‐assisted PTT” strategy optimizes the current PTT and validates its potential clinical application.
CrS Doped MOF‐Derived Carbon Implanted CoNi Particles as Exceedingly Effectual Oxygen Electrocatalysts in Sustainable Zinc‐Air Batteries
Authors: Kumar Ramasamy Santhosh , Tamilarasi S , Stephan Arul Manuel , Kim Ae Rhan , Yoo Dong Jin
Published: February 2025

Utilizing affordable bifunctional catalysts per strong ORR/OER (oxygen reduction and evolution reactions) ability and superior zinc‐air battery performance is yet difficult due to the diverse mechanisms of ORR/OER. This work uses CoNi‐MOF (metal‐organic framework) as a self‐template to yield the CrS doped CoNi/C bifunctional catalyst. Comparable to Pt/C and IrO2 commercial catalysts, the CrS@CoNi/C catalyst exhibits improved electrocatalytic activity toward OER and ORR due to its linked pellet architecture and intact metal sulfide@carbon structure. The CrS@CoNi/C catalyst has the most intriguing ORR/OER performance, with a significantly lower potential and an exceptionally extended cycle duration (E1/2 = 0.72 V and η10 = 260 mV). The CrS@CoNi/C‐based aqueous zinc‐air battery shows long‐term charge–discharge stability (more than 100h/600 cycles) together with significant specific capacity (789.7 mAh g−1Zn) and power density (132.2 mW cm−2). Most significantly, after charge–discharge stability, the recharged CrS@CoNi/C‐based alkaline zinc‐air battery has been employed to exhibit less structural deformation for the cathode and more zincate ion production for the anode side electrodes, which is employed through TEM analysis.
Tailorable Thermal Conduction and Thermal Energy Storage Behaviors in 3D Printed Hierarchical Cellular Structure‐Based Phase Change Materials
Authors: Qiu Lin , Wang Xin , Feng Guangpeng , Feng Yanhui
Published: February 2025

Cellular structures assembled by periodic base cells (PBC) are important carriers of phase change materials (PCMs) in practical applications. The configuration of the PBC and its topology significantly influence the thermal conduction of cellular structures and the thermal storage properties of PCMs. This study develops a framework for multiscale topology optimization of cellular structures, which can first determine the optimal configuration for PBCs and then their optimal density distribution. The optimized topology structure is tree‐like, as shown by the hierarchical pores formed by PBCs with varying densities. This hierarchical cellular structure successfully reduces the maximum temperature by 22%, improves the temperature uniformity by 9%, and shortens the melting time by 8% compared to the unoptimized structure. Cellular structures with different topology structures are selective‐laser‐melting 3D‐printed to encapsulate paraffin wax, which experimentally validates that the hierarchical structure can shorten the melting time by 10.4% compared to a uniform structure, even if their porosity is the same. This progress breaks through the conventional concept that the effective thermal conductivity of the cellular structure cannot be modulated once its porosity is fixed and opens up a new idea to improve the melting behavior of PCMs.
Improving Symptom‐Based Medical Diagnosis Using Ensemble Learning Approaches
Authors: Aissaoui Ferhi Leila , Ben Amar Manel , Masmoudi Atef , Choubani Fethi , Bouallegue Ridha
Published: February 2025

Symptoms‐based health checkers are emerging as digital tools in modern healthcare offering patients the ability to self‐assess their health status by inputting symptoms and receiving diagnostic suggestions. These systems rely on machine learning models to accurately predict medical conditions based on symptom data. In this study, we explore the effectiveness of various machine learning algorithms with a particular focus on ensemble learning methods to improve the accuracy and reliability of health checkers. We evaluate multiple models—Decision Trees, Support Vector Machines (SVM), Logistic Regression, and their ensemble variations (Bagging, Stacking)—across three distinct datasets: the ‘Reference Dataset,’ ‘Cough‐DDX Dataset’ and ‘Cough‐DDX2 Dataset.’ Our results demonstrate that ensemble learning models, especially Bagging with Decision Trees and SVM, significantly outperform individual models in terms of accuracy, precision, recall, and F1 score. We also tested clinical use cases and achieved excellent results highlighting the real‐world applicability and clinical potential of our approaches.
Egg Windowing and Plastic Culture System in Caiman latirostris Embryos, Improving Hatching Success and Offer Potential Management Applications
Authors: Cainelli Julieta , Cordero Trinidad , Marcó María Virginia Parachú , Hilevski Samuel , Siroski Pablo
Published: February 2025

The shell of crocodilian eggs is highly fragile, especially during the early stages of development, making them susceptible to cracking during laying or collection, often resulting in embryo mortality. While numerous studies have explored various techniques for artificially incubating eggs to improve hatching success, particularly concerning issues with eggshells, there is limited information available on this topic for crocodilians. The objective of this research was to assess the hatching and survival success of cracked eggs using the windowing method and ex ovo incubation of Caiman latirostris (C. latirostris) embryos in a culture vessel. We used fertile eggs with cracked shells for the windowing eggs (WE) and ex ovo incubation (EE) treatments, and fertile noncracked eggs shell as control treatment. To ensure contamination‐free incubation, all eggs were cleaned with alcohol. In the WE treatment, an eggshell section was removed, while in the EE treatment, embryos were removed from the eggshells. Each treatment was incubated in a culture vessel containing an aqueous antimicrobial solution at 31 ± 1°C. After 38 days of incubation in the culture vessel, the hatching success rates were as follows: 66.67% for WE, 0% for EE, and 100% for the control. Subsequently, the survival of hatchlings from the WE and control groups was 100%. The results suggest that incubation in artificial culture vessels enhances the viability and hatching success of C. latirostris cracked eggs. It works as an effective antimicrobial barrier maintaining sterile conditions and does not interfere with embryonic development. Moreover, the WE method offers unique possibilities for the monitoring of developmental studies and other manipulations of crocodilian embryos. However, the EE method is not advisable, as it does not reproduce the conditions inside the egg.
Towards full instanton trans-series in Hofstadter’s butterfly
Authors: Gu Jie , Xu Zhaojie
Published: February 2025

Abstract

The trans-series completion of perturbative series of a wide class of quantum mechanical systems can be determined by combining the resurgence program with extra input coming from exact WKB analysis. In this paper, we reexamine the Harper-Hofstadter model and its spectrum, Hofstadter’s butterfly in light of recent developments. We demonstrate the connection between the perturbative energy series of the Harper-Hofstadter model and the vev of 1/2-BPS Wilson loop of 5d SYM and clarify the differences between their non-perturbative corrections. Taking insights from the cosine potential model, we construct the full energy trans-series for flux ϕ = 2π/Q and provide numerical evidence with remarkably high precision. Finally, we revisit the problem of self-similarity of the butterfly and discuss the possibility of a completed version of the Rammal-Wilkinson formula.
Prompt photon production with two jets in POWHEG
Authors: Ježo Tomáš , Klasen Michael , Neuwirth Alexander Puck
Published: February 2025

Abstract

Prompt photon production is highly sensitive to the distribution of quarks and gluons in free protons and nuclei and an important baseline for phenomenological studies of the properties of the quark-gluon plasma. In this paper, we present a new calculation of the production of prompt photons in association with two jets at next-to-leading order in quantum chromodynamics matched to parton showers with the POWHEG method. This calculation extends our previous analysis of prompt photon production in association with one jet using POWHEG+PYTHIA. We investigate the role of the parton shower as an alternative description of the parton-to-photon fragmentation process and analyse correlations between the photon and the jets. In addition, we compare POWHEG+PYTHIA with POWHEG+HERWIG predictions, experimental ATLAS data for isolated photons, and a perturbative calculation at next-to-next-to-leading order. Both parton shower models bring the next-to-leading order prediction into good agreement with the experimental data and the next-to-next-to-leading order calculation.
Associations between the timing of 24 h physical activity and diabetes mellitus: results from a nationally representative sample of the US population
Authors: Xiao Qian , Feng Qiuyu , Rutter Martin K. , Albalak Gali , Wang Heming , Noordam Raymond
Published: February 2025

Aims/hypothesis

Growing evidence suggests that timing may be an important aspect of physical activity that influences cardiometabolic health. However, the current literature is inconclusive regarding the time of day that physical activity offers the greatest metabolic advantages. We investigated associations between hourly physical activity levels and diabetes mellitus and glycaemic biomarkers in a cross-sectional and nationally representative sample of US adults.

Methods

We studied 7074 adults (mean age 48 years; 52% women) from the National Health and Nutrition Examination Survey (2011–2014). Physical activity was measured by actigraphy. A monitor-independent movement summary (MIMS) unit was used to derive the total activity level (divided into quintiles) for hourly windows that were defined relative to sleep timing and according to clock time. The primary outcome was prevalent diabetes, and secondary outcomes included fasting glucose, fasting insulin, HOMA-IR and 2 h OGTT results.

Results

Physical activity levels in late morning and late afternoon were associated with lower adjusted odds of diabetes. Specifically, in late morning (8:01–9:00 h after the sleep midpoint), the highest quintile of activity was associated with a 35% decrease (OR 0.65; 95% CI 0.44, 0.96) in the odds of diabetes when compared with the lowest quintile, while in late afternoon (11:01–17:00 h after the sleep midpoint), the highest quintiles were associated with 56% and 36% lower odds (OR 0.44; 95% CI 0.29, 0.69 and OR 0.64; 95% CI 0.43, 0.95). Higher night-time activity was associated with higher odds of diabetes. Similar patterns of results were observed with OGTT data and across subgroups of age, gender, race/ethnicity, chronotype and sleep duration.

Conclusions/interpretation

Our findings suggest that the timing of physical activity may modulate its metabolic effects.

Graphical Abstract
Dissociation of intake and incentive sensitization during intermittent- and continuous-access heroin self-administration in rats
Authors: Rakowski Elizabeth A. , King Christopher P. , Thompson Brady M. , Santos Gabriel , Holmes Esther , Solberg Woods Leah C. , Polesskaya Oksana , Palmer Abraham A. , Meyer Paul J.
Published: February 2025

Rationale

Opioid misuse is a prominent public health concern, although patterns of use may confer different vulnerability to relapse. Continuous-access (ContA) self-administration has traditionally been used in preclinical models to study drug-motivated behaviors and produces robust escalation of intake and tolerance development. Alternatively, studies using intermittent access (IntA), where self-administration occurs in discrete drug-available periods, suggest that overall intake may be dissociable from subsequent increases in motivation (i.e., incentive sensitization). However, IntA paradigms have focused primarily on psychostimulants like cocaine and methamphetamine and have not been as comprehensively studied with opioids.

Objective

We compared two paradigms of heroin self-administration, ContA and IntA, to assess their effect on heroin intake and motivation.

Methods

Male and female rats were trained to self-administer heroin, then were transitioned to either ContA or IntA paradigms. Following self-administration, rats were tested in progressive-ratio, behavioral economics threshold probe, and conditioned reinforcement tests to measure motivation-related behaviors.

Results

Both patterns of intake evoked similar heroin-directed motivation during progressive-ratio and conditioned reinforcement tests, despite lower overall intake throughout IntA for male rats. Females had similar responding between treatments in self-administration and progressive-ratio even though IntA rats had less time to earn infusions. During threshold probe, IntA-trained subjects showed more inelastic responding (lower α values), suggesting a greater degree of dependence-like behavior.

Conclusions

These results suggest the importance of dissociating heroin intake from incentive sensitization and emphasize the significance of sex differences as a modifier of heroin consumption and motivation.