bluuebunny/crossref_metadata_2025 huggingface dataset:
Lettuce fortification through vitamin B12‐producing bacteria – proof of concept study
Authors: Pipponzi Sara , Primisser Stefanie , Antonielli Livio , Stefani Emilio , Compant Stephane , Sessitsch Angela , Kostic Tanja
Published: January 2025

BACKGROUND

Vitamin B12 (cobalamin) can be produced de novo only by certain bacteria and archaea. It plays a crucial role in the health of animals and humans, which obtain it only through diet, mainly from animal products. This study aimed to identify endophytic bacterial strains capable of synthesizing vitamin B12 and enriching edible plants with it as a potential solution for vitamin B12 deficiency in vegetarians, vegans, and people with poor diets.

RESULTS

An in silico genome analysis was performed on 66 bacterial genomes, including the reference strain Pseudomonas denitrificans ATCC 13867, a known vitamin B12 producer. The genomes were analyzed using the Rapid Annotations using Subsystems Technology (RAST) server and the MetaCyc database to verify the presence and completeness of the vitamin B12 metabolic pathway. The ability of the strains to produce vitamin B12 was confirmed with a high‐performance liquid chromatography with diode‐array detection (HPLC‐DAD) analysis of pure culture extracts. Eleven strains produced detectable amounts of vitamin B12 under tested conditions. The best performing candidates were further tested for their efficacy in producing vitamin B12 in lettuce grown under sterile conditions on Murashige and Skoog (MS) medium with or without CoCl2 supplementation. Methylobacterium sp. strain P1‐11 produced detectable amounts of vitamin B12 in planta: 1.654 and 2.559 μg per g of dry weight without and with CoCl2 supplementation, respectively.

CONCLUSION

This is the first time a bacterial endophyte was used to produce vitamin B12 in planta, suggesting that bacterial endophytes could be utilized to enhance the nutraceutical values of plant‐based foods. © 2025 The Author(s). Journal of the Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Effect of ultrasonic‐assisted enzymatic extraction on proso millet bran protein: extraction rate, structural and functional properties
Authors: Li Mengqing , Dang Yueyi , Liu Yangjin , Jiang Fan , Yu Xiuzhu , Du Shuang‐kui
Published: January 2025

BACKGROUND

Proso millet bran protein (PMBP), derived from agricultural by‐products, possesses high nutritional value, despite its challenging extraction process. The present study proposes an extraction method for PMBP using ultrasound‐assisted cellulase technology (UAE), and optimizes the process parameters. Non‐waxy (N‐PMBP) and waxy (W‐PMBP) PMBPs, extracted through alkaline solubilization and acid precipitation (conventional treatment, CT), served as control groups to assess the impact of UAE on the structure and functionality of PMBP, as well as the distinctions between N‐PMBPs and W‐PMBPs.

RESULTS

At an ultrasonic power of 420 W, cellulase concentration of 80 U g−1, enzymolysis pH of 5.0, enzymolysis temperature of 55 °C and enzymolysis time of 3 h, the maximum PMBP extraction rate was achieved at 76.80%. Compared to CT, UAE extraction resulted in enhancements in α‐helix and random content, particle size, surface hydrophobicity (H0) and ξ‐potential value, leading to improved functionality of the PMBPs. Additionally, significant functional and structural disparities were observed between N‐PMBPs and W‐PMBPs. Although no significant difference in molecular weight was detected, each exhibited three major bands. W‐PMBPs exhibited significantly higher beta‐sheet content compared to N‐PMBPs, whereas the reverse trend was observed for α‐helix content. W‐PMBPs displayed strong solubility and water/oil holding capacity compared to N‐PMBPs, albeit with lower emulsifying properties and H0.

CONCLUSION

UAE could enhance PMBP extraction, inducing structural and functional changes in PMBPs compared to CT. Significant differences in functionality and structure were observed between N‐PMBPs and W‐PMBPs, providing fundamental data and a theoretical basis for PMBP development and utilization. © 2025 Society of Chemical Industry.
Glycation‐mediated pea protein isolate‐curcumin conjugates for uniform walnut oil dispersion: enhancing oxidative stability and shelf life
Authors: Tan Zhi‐feng , Zhao Guan‐hua , Zhou Da‐yong , Shao Zhen‐wen , Song Liang
Published: January 2025

Background

Traditional methods for fabricating protein‐polyphenol conjugates have not preserved the structural and functional integrity essential for the food industry effectively. This research introduces an advanced encapsulation methodology designed to overcome these limitations, with the potential to enhance the stability of edible oil matrices significantly, leading to improved preservation techniques and extended shelf life.

Results

Glycated pea protein isolate‐curcumin conjugates (gPPI‐CUR) were developed, demonstrating a marked improvement in the oxidative stability of walnut oil (WO), a proxy for edible oil matrices. Characterized by a Z‐average diameter of 158.37 nm and an encapsulation efficiency of 80.94%, these conjugates demonstrated exceptional performance in reducing lipid oxidation and aldehyde formation. Molecular docking analysis confirmed the formation of robust bonds with curcumin, thereby amplifying antioxidant activity. The uniform distribution of gPPI‐CUR throughout the walnut oil matrix, as validated by confocal microscopy, ensured sustained bioactivity and mitigated the risk of localized oxidation. Electron spin resonance spectroscopy corroborated the superior antioxidant properties of the conjugates, which translated into a substantial 19‐day increase in the shelf‐life of the oil.

Conclusion

The gPPI‐CUR conjugates enhanced the oxidative stability of walnut oil significantly, as demonstrated by the increased shelf life and reduced lipid oxidation. This study introduced an effective encapsulation method that improved the stability and extended the shelf life of edible oils, aligning with consumer demands for high‐nutrition food products. The results indicate that the gPPI‐CUR conjugates could serve as a promising antioxidant strategy for food preservation, offering a practical approach to enhance food quality and safety. © 2025 Society of Chemical Industry.
Fetal Corpus Callosum Anomalies
Authors: Lanzarone Valeria , Eixarch Elisenda , Borrell Antoni
Published: January 2025

Anomalies of the corpus callosum (CC) are amongst the most common fetal Central Nervous System (CNS) anomalies detectable on ultrasound. Underlying genetic disease plays an important part in defining prognosis. Associations with aneuploidy and submicroscopic chromosomal deletions or duplications have been well demonstrated using chromosomal microarray analysis. Next‐generation sequencing techniques such as exome sequencing, have revolutionized the ability to detect monogenic disease in these fetuses. In the context of important recent publications on exome sequencing in prenatal populations, an updated review of genetic testing options in CC anomalies is presented.
A Comparison of Therapy Adherence for Vocal Fold Atrophy and Chronic Cough
Authors: Schuman Ari D. , Buell Jane B. , Varghese Varsha , Brungardt Madeline E. , Blumhardt Sarah L. , Ongkasuwan Julina , Szymanowski Adam R.
Published: January 2025

Introduction

Therapy is a common treatment for dysphonia attributable to vocal fold atrophy and chronic cough with the goal of decreasing procedural intervention. We compared the rates of therapy adherence and the factors associated with therapy adherence across groups.

Methods

Retrospective chart review at a single institution since 2019. Groups were compared with chi‐square and relative risk.

Results

Across both diagnoses, 263 patients were identified; 131 (49.8%) with vocal fold atrophy and 132 (50.2%) with chronic cough. 173 patients (66%) were referred to speech therapy (81/131 atrophy, 61.8%; 91/132 cough, 69.7%; p = 0.207). Patients were evaluated in a multidisciplinary setting 30.1% of the time. Among those referred to therapy, patients who underwent their initial evaluation the same day within a multidisciplinary clinic were more likely to complete their course (30.7% vs 10.7%, p = 0.001). This association held on multivariable analysis (relative risk [RR] 2.39, 95% confidence interval 1.13–5.07, p = 0.02). Patients with atrophy and cough had similar therapy completion rates (22.2% vs 11.9%, p = 0.07). Male patients were more likely to complete therapy on multivariable analysis (RR 2.35, 1.16–4.47, p = 0.017). Patients who completed a procedure prior to therapy were not more likely to complete their course (p = 0.52).

Conclusions

Multidisciplinary clinic with a speech pathologist and laryngologist is associated with an increased rate of therapy adherence in both vocal fold atrophy and chronic cough, regardless of diagnosis. Pre‐therapy procedural interventions were not associated with increased therapy adherence.

Level of Evidence

3 Laryngoscope, 2025
Mixed Grazing Enhances Bacterial Diversity and Network Stability More Than Single Grazing in Both Nondegraded and Moderately Degraded Grasslands
Authors: Xu Jiazheng , Wu Xuefeng , Hu Jin , Yang Yurong
Published: January 2025

Soil microbial communities are integral in supporting the sustainability of grassland ecosystems. Livestock grazing exerts varied impacts on soil microbial communities due to distinct grazing behaviors and feeding preferences. However, the effects of livestock diversification on the soil microbial community in moderately degraded grassland compared with nondegraded grassland are still uncertain. To narrow this gap, we carried out a grazing experiment in the eastern Eurasian steppe by altering livestock diversification (nongrazing [NG], cattle grazing alone [CG], sheep grazing alone [SG], and mixed cattle and sheep grazing [MG]) in both nondegraded [ND] and moderately degraded grasslands [MD] for 3 years. We applied high‐throughput sequencing to investigate microbial diversity, community composition, co‐occurrence network structure, and community assembly processes in the topsoil (0–10 cm). Our study revealed that MG significantly enhanced bacterial richness (144.6%, p = 0.005), fungal richness (30%, p = 0.003), network stability and topological properties (5.7% more nodes, and 7.1% higher positive connection ratios) compared to NG in nondegraded grassland. Furthermore, MG had relatively high stability of bacterial networks compared with single grazing in both nondegraded and moderately degraded grasslands. Additionally, the assembly of soil microbial communities in grassland was dominated by stochastic processes, whereas MG reduced the randomness in fungal community assembly. Moreover, bacterial communities exhibited a stronger association with soil characteristics in terms of diversity, composition, and stochastic processes, while fungal communities demonstrated a greater correlation with plant characteristics. Our findings indicated that MG promoted soil bacterial diversity and network stability while reducing the importance of stochastic processes compared to single grazing. However, the effect was largely dependent on the habitat condition of grassland. The results of this study highlight that diversifying livestock grazing can be an effective management practice to maintain the stability of grassland on the eastern edge of the Eurasian steppe belt from the perspective of the soil microbial community.
AC‐Driven Color‐Tunable White Organic Light‐Emitting Diodes With Micron‐Scale Patterned Carrier Transport Layers
Authors: Zhou Hejian , Zhuang Xiaoxiao , Xu Mengxin , Liu Shihao , Zhang Letian , Xie Wenfa
Published: January 2025

Intelligent lighting systems that adjust color temperature and intensity to enhance well‐being, are gaining traction. White organic light‐emitting diodes (OLEDs), known for their broad spectrum and precise control, show promise for future solutions. However, current color‐tunable OLEDs face challenges in balancing spectrum control, luminance, and efficiency. This work introduces a two‐electrode, color‐tunable OLED design using pixelated regular and inverted carrier transport layers, along with Mg‐doped 4,7‐diphenyl‐1,10‐phenanthroline and bilayer emitting layers. The device achieves color tunability without altering luminance, demonstrating peak external quantum efficiencies of 17.4% and 18.4%, with maximum luminance levels of 38449 and 111077 cd m−2, under positive and negative biases, respectively. By modulating the pulse amplitude during the positive and negative half‐cycles of the AC signal, this design enables color temperature adjustments from 17614 to 3169 K, offering a promising solution for intelligent lighting systems.
First‐Principles Study on the Influence of Atomic Coordination on the Adhesion Strength and Stability of FeCr2O4/α‐Fe Interface
Authors: Zhu Yijie , Qi Jing , Que Shuiping , Yang Hongmin , Ma Chaoqun , Li Jingjing
Published: January 2025

To investigate the effect of atomic coordination on the stability and adhesion strength of the FeCr2O4/α‐Fe interface, four different interface models (O top‐site, Cr top‐site, Fe1 top‐site, and Fe2 top‐site) are developed based on first‐principles density functional theory. The results indicate that the FeCr2O4/α‐Fe interface primarily consists of Feme‐Oox mixed ionic‐covalent bonds and Feme‐Feox metallic bonds, with the Feme‐Oox bonds dominating the interfacial adhesion strength. Compared with the Fe2 top‐site interface, the Fe1 and Cr top‐site interfaces exhibit low charge accumulation and longer Feme‐Oox bonds, which results in weaker Feme‐Oox bonding strength at the interface. The orbital hybridization between Fe and O atoms at the Fe2 top‐site interface is stronger than that at the Cr top‐site interface, leading to greater structural stability for the Fe2 top‐site interface. These results could have practical significance for understanding the failure of the oxide film on ferritic heat exchangers.
In vivo simultaneous proton resonance frequency shift thermometry and single reference variable flip angle T1 measurements
Authors: Richards Nicholas , Malmberg Michael , Odéen Henrik , Johnson Sara , Kline Michelle , Merrill Robb , Hadley Rock , Parker Dennis L. , Payne Allison
Published: January 2025

Purpose

The single reference variable flip angle sequence with a multi‐echo stack of stars acquisition (SR‐VFA‐SoS) simultaneously measures temperature change using proton resonance frequency (PRF) shift and T1‐based thermometry methods. This work evaluates SR‐VFA‐SoS thermometry in MR‐guided focused ultrasound in an in vivo rabbit model.

Methods

Simultaneous PRF shift thermometry and T1‐based thermometry were obtained in a New Zealand white rabbit model (n = 7) during MR‐guided focused ultrasound surgery using the SR‐VFA‐SoS sequence at 3 T. Distinct locations in muscle (n = 16), fat (n = 12), or the interface of both tissues (n = 23) were heated. The T1‐temperature coefficient of fat was determined using least‐squares fitting of inversion recovery‐based T1 maps of untreated fat harvested from the animal and was applied to the in vivo measured heat‐induced T1 changes to create temperature maps.

Results

Using k‐space weighted image contrast reconstruction, temporal resolution of 1.71 s was achieved for simultaneous thermometry at 1.5 × 1.5 × 2 mm voxel resolution. PRF shift thermometry was not sensitive to heating in fat. T1 changes were observed in fat at the ultrasound focus. The mean T1‐temperature coefficient for fat was determined to be 1.9%/°C ± 0.2%/°C. Precision was 0.76°C ± 0.18°C for PRF shift thermometry in muscle and 1.93°C ± 0.60°C for T1‐based thermometry in fat. Sonications in muscle showed an increase in T1 of 2.4%/°C ± 0.9%/°C.

Conclusion

The SR‐VFA‐SoS sequence was shown to simultaneously measure temperature change using PRF shift and T1‐based methods in an in vivo model, providing thermometry for both aqueous and fat tissues.
Boron nitride and few layers graphene incorporated carboxylated butadiene nitrile rubber hybrid nanocomposites: Preparation, properties and mechanistic insights
Authors: Vishakh M. G. , Painuly Diksha , Ragupathy Lakshminarayanan , Kanappally Anurag , Vadivelu Prabha
Published: January 2025

Herein, we report a scalable method for preparing stable aqueous dispersions of hexagonal boron nitride (h‐BN), suitable for incorporation into carboxylated nitrile butadiene rubber (XNBR) latex to produce high‐quality nanocomposites. Mono and hybrid nanocomposites of h‐BN/Few‐Layer Graphene (FLG) with XNBR were synthesized using probe sonication (PS) and high‐pressure homogenization (HPH). UTM analysis revealed significant improvements (7 to 10.9 and 12.4 MPa) in tensile strength (TS) for both mono (1.5 phr) and hybrid (FLG/h‐BN; 1.5/1 phr) nanocomposites prepared via HPH. The incorporation of exfoliated h‐BN and FLG into XNBR enhances thermal stability, restricts molecular chain mobility, and shifts the glass transition temperature (Tg) toward higher values (−26.7 to −21.6 °C) due to strong interfacial interactions, as confirmed by DMA and DSC analyses. Density functional theory (DFT) study highlighted preferential interactions between h‐BN and acrylic acid/butadiene units of XNBR over acrylonitrile. Antibacterial assays demonstrated synergistic increased inhibition zones (26 to 40 mm) to hybrid fillers (h‐BN ≥3 phr, FLG 1.5 phr) incorporated XNBR thin film nanocomposites against Pseudomonas aeruginosa. Toxicity studies on mouse fibroblast cell lines showed enhanced biocompatibility XNBR with h‐BN (>3 phr h‐BN incorporation with XNBR show >90% cell viability while raw XNBR demonstrates~65% toxicity). However, the hybrid fillers incorporation up to 1.5 phr of h‐BN show a maximum biocompatibility (>75% cell viability) compared to the parent material. The novel incorporation of h‐BN and FLG into XNBR provides strong evidence of the enhanced antibacterial efficacy and biocompatibility of the hybrid nanocomposites, underscoring their potential relevance in biomedical applications.

Highlights

The aqueous dispersion of h‐BN was prepared and characterized.

Mono and hybrid nanocomposites of h‐BN with XNBR were synthesized using probe sonication (PS) and high‐pressure homogenization (HPH).

Synergistic improvement in antibacterial and biocompatibility were observed.
Synthesis wide‐bandgap aluminum oxide decorated graphene for tailoring dielectric and energy storage properties of poly(vinylidene fluoride‐co‐chlorotrifluoroethylene) films
Authors: Li Yongming , Zhang Ziyu , Fan Shuhui , Wang Tianhua , Li Yuchao , Zhan Yanhu , Li Yankai , Xie Qian , Xiao Meng
Published: January 2025

A composite dielectric film with synergistically improved dielectric constant (ɛ′) and breakdown strength (Eb) was prepared by introducing wide‐bandgap aluminum oxide decorated reduced graphene oxide (rGO@Al2O3) into poly(vinylidene fluoride‐co‐chlorotrifluoroethylene) (P(VDF‐CTFE)). Consequently, a superior energy storage density (Ue = 3.6 J cm−3) of rGO@Al2O3/P(VDF‐CTFE) was obtained with only 0.1 wt% loading of rGO@Al2O3, being 133%, 947% higher than those of neat P(VDF‐CTFE) and 0.1 wt% rGO/P(VDF‐CTFE), respectively. These enhancements can be ascribed to the presence of core‐shell like rGO@Al2O3, where rGO effectively promotes surface polarization of composites, while Al2O3 as a barrier provides deep traps and prevents the physical contact of rGO nanosheets, thus inhibiting local field concentration and limiting charge carrier transition.

Highlights

Wide‐bandgap Al2O3 decorated rGO was introduced into P(VDF‐CTFE).

The presence of Al2O3 hinders charge carrier leakage of the composites.

rGO@Al2O3 increases the permittivity by forming plenty of micro‐capacitors.

An improved energy storage density and efficiency are simultaneously achieved.
Fatigue life and crack growth rate of carbon fiber reinforced polymer composite at elevated temperature environment: An experimental study
Authors: Raj Lokesh , Pathak Himanshu , Zafar Sunny , Gupta Amit
Published: January 2025

This study focuses on a plane‐weaved bidirectional (0°/90°) carbon/epoxy composite, known for its excellent mechanical properties. The composite was manufactured using a vacuum bagging resin infusion microwave curing process, incorporating carbon fiber as the reinforcement material and a thermosetting epoxy with a hardener as the binding material. Mechanical, fracture and fatigue crack growth characteristic of carbon fiber reinforced polymer composites were experimentally evaluated under elevated temperature environment. Fatigue life cycles were calculated at ambient and elevated temperatures by varying stress ratio values (R = 0.1, 0.3, 0.5, and 0.7) using a dynamic universal testing machine. The Fatigue crack growth tests were performed on four‐layer composite laminate in different thermal environments at a constant stress ratio of 0.1. The study establishes relationships between stress and the number of cycles at different UTS percentages and stress ratios. The effect of environmental temperature on crack growth rate was investigated to predict fatigue Paris parameters and the value of Paris constant C and slope m were evaluated. Mechanical properties, fatigue life cycle, and fatigue crack growth of the composites exhibit variations across different temperature ranges. Post‐failure microstructural characterization techniques were applied to observe the failure patterns, fiber pull‐out and matrix cracking at different scales in composite specimen at different temperature ranges. The presented studies provide insights into the performance and durability of CFRPCs under varying thermal conditions, for aerospace applications.
Non‐Thermal Plasmas for Flue Gas Pollutants (Nitrogen Oxides, Volatile Organic Compounds, Elemental Mercury, and Sulfur Dioxide) Abatement
Authors: Okonkwo Camillus Uchenna , Xiujin Zhang , Jianbo Guo , Liyuan Liu , Qinzhong Feng , Yang Chen
Published: January 2025

A substantial amount of flue gas pollutants (nitrogen oxides, volatile organic compounds, elemental mercury, and sulfur dioxide) are produced as human industrial activities increases. This article critically reviews the applications of non‐thermal plasma (NTP) technology and catalysts for the abatement of different flue gas pollutants. In addition to evaluating the effect of the combined application of non‐thermal plasma and catalysts, this study also delves into the cost‐effectiveness analysis of the catalysts, thereby providing a comprehensive solution and provides guidance for future practical applications. Furthermore, the limitations and future applications of non‐thermal plasma technology are also examined in this review, which provide recommendations for future research directions.
Precise Fabrication of Elongated Janus Microparticles
Authors: Puttaraksa Nitipon , Sada Shuichi , Kosumsupamala Kunpisit , Seki Hironori , Whitlow Harry J. , Nishikawa Hiroyuki
Published: January 2025

Janus particles that have regions with different properties (e.g., a metal and a polymer) are of great interest for extensive technological aspects such as material and environmental sciences, surface and functional chemistry, drug delivery, biomedicals, and micro/nanomotors. Numerous techniques, including masking, phase separation, and self‐assembly, have been presented in Janus particle fabrication. Nonetheless, a method for precise fabrication is challenging and necessary to control the properties of Janus particles accurately. Here, truncated‐cone elongated Janus microparticles with one surface of epoxy‐based negative photoresist (SU‐8) microparticles deposited with gold are fabricated. The microparticles in SU‐8 are produced by micropatterning with height to width design aspect ratios of 1, 2, 5, and 10 using a proton beam writing. Gold coating on the surface of SU‐8 microparticles is subsequently performed using a magnetron sputtering technique. Experimental results showed that the design aspect ratio had to exceed 2 for coating the side surfaces. These Janus microparticles can be produced with uniform sizes, shapes, and coating thickness. This method for fabricating well‐defined Janus microparticles can be adapted to many applications, particularly as metal‐polymer particles for microplastic research.
Spectral Evidence for the Interaction during Condensation of Dye Molecules on Gold Nanoparticles in Vacuum
Authors: Grytsenko Kostyantyn , Doroshenko Tamara , Kolomzarov Yuriy , Lytvyn Peter , Pekur Demyd , Kukla Oleksandr , Lebedyeva Iryna , Vashchilina Elena
Published: January 2025

Asymmetric sulfur‐terminated compounds (STC) and allyl‐terminated compound 2‐(4‐butoxyphenyl)‐1,3‐dimethylcyclo‐hepta[c]pyrrole‐6(2H)‐thione (ATC) dyes are deposited by evaporation in vacuum (PVD) on glass and gold (Au) substrates. Au is deposited by PVD on a rotating glass disk as a thin layer of nanoparticles (NPs), which exhibited a plasmon band at 600 nm. The influence of the dye chemical structure and the substrate with and without gold NPs on the optical properties of the system is studied using in situ optical spectroscopy. A significant difference in the evolution of transmission spectra and morphology of the same dye deposit; however, deposited on glass and Au surfaces is investigated. At the beginning of condensation, molecules of several dyes on the Au surface cause a redshift of the plasmon band. Increasing the number of condensed molecules results in new weak absorption bands in the near infrared region and a redshift of the strong absorption bands corresponding to the absorption of dyes molecules.
Least Squares Support Vector Machines With Variable Selection and Hyperparameter Optimization for Complex Structures Reliability Assessment
Authors: Dong Xiaowei , Zhang Hao , Li ZhenAo , Zhu Chunyan , Yi Shujuan , Chen Changhai
Published: January 2025

For effectively estimating the reliability of complex structures, a least squares support vector machine with variable selection and hyperparameter optimization (SVMSO, short for) is proposed based on local linear embedding with Pearson coefficient and location density with particle swarm optimization (LDPSO) algorithm. In this proposed method, the local linear embedding with Pearson coefficient is used to select the variables that have a strong correlation with output responses, which are embedded in relatively low‐dimensional space to avoid the negative influence of high‐dimensional input parameters. The optimal hyperparameters of least squares support vector machines (LSSVM) are obtained by applying the LDPSO to improve the accuracy of LSSVM affected by the hyperparameters. Taking civil aircraft turbine blisk as a study case, the effectiveness and applicability of SVMSO are verified in aspects of modeling quality and simulation characteristics, by comparing direct simulation, support vector machine, and LSSVM. The case results and conclusions represent that the proposed method has good precision and efficiency under a high‐dimensional data scale, and is suitable for reliability analysis of complex structures.
The Reciprocal Relation Between Vocabulary Knowledge and Compound Structure Awareness and Their Contributions to Reading Comprehension in Chinese Children: A Longitudinal Study From Grades 3 to 6
Authors: Cheng Yahua , Li Yixun , Zhang Wenjian , Jia Kaiyue
Published: January 2025

Previous studies uncover that vocabulary knowledge may be related to compound structure awareness (the awareness of relational structure embedded in compound words), and they both contribute to reading comprehension. Yet, limited studies have examined the dynamic relationship between vocabulary knowledge and compound structure awareness, or their joint contributions (including growth rates) to reading comprehension. Our study aimed to fill this gap in Chinese, an ideal target language with complex grammatical structures of compound words. We followed 125 native Mandarin‐Chinese‐speaking children in Mainland China from Grades 3 to 6, with one testing point in the fall of each grade and a total of four testing times. These children's vocabulary, compound structure awareness, and text reading comprehension were measured as three key variables, and their Chinese character reading, word reading fluency, and compounding awareness were measured as three control variables in model analyses; all materials were adopted from previous research and were highly reliable and valid. We fitted the latent growth models and found that children's initial vocabulary in Grade 3 significantly predicted their compound structure awareness growth over Grades 3 to 6, and then predicted reading comprehension in Grade 6. However, such results were not evident the other way around. Importantly, initial vocabulary knowledge and compound structure awareness in Grade 3 and their growth rates from Grades 3 to 6 contributed to reading comprehension skills in Grade 6. Our findings demonstrate the necessity of considering vocabulary knowledge and compound structure awareness jointly and longitudinally to support early reading development.
Development of Steroidal Spiro‐Heterocycles Through One‐Step Cyclocondensation, Their Evaluation as Antiproliferative Agents
Authors: Ahuja‐Casarín Ana I. , Cortes‐Percino Alejandra , González‐Bakker Aday , Puerta Adrián , Merino‐Montiel Penélope , Vega‐Baez José Luis , Melendez Francisco J. , Castro María Eugenia , López Óscar , Padrón José M. , Montiel‐Smith Sara
Published: January 2025

New conformationally‐restricted steroids were synthesized by incorporating a spiranic heterocyclic motif at the C‐17 position, using trans‐androsterone, trans‐dehydroandrosterone, and estrone as starting materials. A cyclocondensation process with o‐disubstituted aromatic bis‐nucleophiles enabled the modification of the structure. In silico calculations were employed to predict the diastereoselectivity and the assignment of the new chiral center stereochemistry. Spiranic derivatives were evaluated in vitro for antiproliferative activity against six human tumor cell lines, with benzoxazolines showing the highest activity. Derivatives of estrone exhibited greater potency than those of androsterone, being up to 50‐fold more active than abiraterone, a steroidal anticancer drug. Live cell imaging of the lead compound combining estrone and a benzimidazoline residue revealed apoptotic events such as membrane blebbing, nuclear condensation, and cell shrinkage, suggesting potential utility for therapeutic applications.
Enriching Oxidation Sites‐Based Facets in Lead Chromate to Boost Photoelectrochemical Sensing Response
Authors: Liu Shiben , Zhan Jinhua , Cai Bin
Published: January 2025

A key issue in photoelectrochemical applications is the modification of the behavior of photogenerated charge barriers. An effective strategy to improve the photoelectrochemical performance of semiconductor materials is to use the facet effect to promote spatial charge separation. In this work, three different morphologies of lead chromate (PbCrO4) crystals are prepared by a simple hydrothermal method that used ammonium fluoride as the structure‐directing agents. Spatial separation of photogenerated electrons and holes is clearly demonstrated in the (012), (020), and (200) facets of PbCrO4 crystals. In situ photo‐deposition experiments reveal that the oxidation and reduction sites are distributed on the anisotropic (012) and (020)/(200) facets of all the PbCrO4 crystals. PbCrO4 synthesized with a high Pb2+/F− ratio with maximum exposure of (012) facet has remarkably better performance in photoelectrochemical detection of ascorbic acid compared with PbCrO4 synthesized either without ammonium fluoride or with a low Pb2+/F− ratio. The photoelectrochemical detection performance correlates well with the surface photovoltage difference between the anisotropic facets. The study provides fundamental understanding of the facet‐dependent activity of PbCrO4 crystals, which will be beneficial for advancing understanding of spatial charge separation in semiconductor‐based photoelectrochemical applications.
Solar‐Active Carbon Nitride Film Integrated by Free Radical Copolymerization for Photocatalytic Indoor Air Purification
Authors: Jourshabani Milad , Razi Asrami Mahdieh , Lee Byeong‐Kyu
Published: January 2025

The current lack of stable, scalable, and efficient coating technology dramatically limits the exploitation of solar‐driven graphitic carbon nitride (CN) photocatalysts. Herein, a unique, efficient, and scalable method is reported to immobilize CN powder on various substrates ranging from Fluorine tin oxide (FTO), glass, Plexiglas, Al foil, Ti foil, and Granite stone, to even wood. The film shows an outstanding thickness of 212 µm, which is the highest value ever reported. The formation process is ascribed to free radical copolymerization between the tri‐s‐triazine backbone and polyacrylamide, followed by cross‐linking. The smooth, non‐oxidizable, and well‐defined continuous coating exhibits excellent adherence and durability. The distinctive sequence segments preserve the light transition within the film while enhancing the optical absorption in the solar spectrum. Under visible light illumination, the film shows outstanding photodegradation performance toward air pollutants, whether for gaseous acetaldehyde (Act) or toluene (Tol). This method is a great step forward that can open new opportunities for the commercial applications of CN powder.
Advances in the Simulations of Enzyme Reactivity in the Dawn of the Artificial Intelligence Age
Authors: Świderek Katarzyna , Bertran Joan , Zinovjev Kirill , Tuñón Iñaki , Moliner Vicent
Published: January 2025

The study of natural enzyme catalytic processes at a molecular level can provide essential information for a rational design of new enzymes, to be applied in more efficient and environmentally friendly industrial processes. The use of computational tools, combined with experimental techniques, is providing outstanding milestones in the last decades. However, apart from the complexity associated with the nature of these large and flexible biomolecular machines, the full enzyme catalyzed process involves different physical and chemical steps. Consequently, from the computational point of view, a deep understanding of every single step requires the selection of a proper computational technique to get reliable, robust and useful results. In this article, we summarize the different computational techniques and their use in the study of every single step of the catalytic process, including conformational diversity, allostery and those to study the chemical steps, as well as in the design of new enzymes. Because of the impact of artificial intelligence in all aspects of science during the last years, special attention has been applied to methods based on these techniques, their foundations and some selected recent applications.
A model-based approach to shot charts estimation in basketball
Authors: Scrucca Luca , Karlis Dimitris
Published: January 2025

Shot charts in basketball analytics provide an indispensable tool for evaluating players’ shooting performance by visually representing the distribution of field goal attempts across different court locations. However, conventional methods often overlook the bounded nature of the basketball court, leading to inaccurate representations, particularly along the boundaries and corners. In this paper, we propose a novel model-based approach to shot charts estimation and visualization that explicitly considers the physical boundaries of the basketball court. By employing Gaussian mixtures for bounded data, our methodology allows to obtain more accurate estimation of shot density distributions for both made and missed shots. Bayes’ rule is then applied to derive estimates for the probability of successful shooting from any given locations, and to identify the regions with the highest expected scores. Additionally, calibration plots are introduced to compare the estimated scoring probabilities with the observed proportions of made shots across different offensive areas, complemented by the normalized calibration error to summarize the overall goodness-of-fit of the model-based estimates. To illustrate the efficacy of our proposal, we apply it to data from the 2022/2023 NBA regular season, showing its usefulness through detailed analyses of shot patterns and calibration performance for two prominent players.
Synthesis and antimicrobial evaluation of a new hybrid bis-cyanoacrylamide-based-piperazine containing sulphamethoxazole moiety against rheumatoid arthritis-associated pathogens
Authors: Soliman Mona M. , Elwahy Ahmed H. M. , Sayed Ahmed M. , Ibrahim Mahmoud , Dawoud Mohamed A. , Ali Shahd Hisham Mohamed , Nady Menna Tallah S. , Hassan Nada A. , Saad Wessam , Abdelhamid Ismail A.
Published: January 2025

Piperazine-based compounds have garnered significant attention due to their notable biological and pharmacological activities, making them essential in fine chemical and pharmaceutical applications. In this study, we managed to synthesize a novel hybrid bis-cyanoacrylamide bearing the piperazine core via phenoxymethyl linker and incorporating sulphamethoxazole moiety. The novel compound was fully characterized using different spectral data including 1H-NMR, 13C-NMR, and FTIR spectroscopy. Piperazine-based compounds were screened for in silico studies to understand the antimicrobial activity against infections that may contribute to rheumatoid arthritis symptoms. The tested piperazine compound was also evaluated for its antimicrobial activity against Aspergillus niger, Candida albicans, Enterococcus faecalis ATCC 29212, Staphylococcus aureus ATCC 29213, Pseudomonas aeuroginosa ATCC 27853, Escherichia coli ATCC 25922, and Klebsiella pneumoniae ATCC 700603. S. aureus showed the highest inhibition, with a zone diameter of 16.0 ± 1.0 mm at a concentration of 0.8 mg/ml. The minimal inhibitory concentration (MIC) for all bacterial species ranged from 5 to 40 mg/ml. In contrast, fungal species were the most resistant to the tested compound. Molecular docking studies were conducted to elucidate the interaction mechanisms, binding energies, and hydrogen bonding interactions within protein–ligand complexes. Molecular docking studies were performed against five bacterial proteins and two fungal proteins, including DNA gyrase subunit B (UniProt ID: Q839Z1), protein RecA of (UniProt ID: P0A7G6), cyclic AMP-AMP-AMP synthase (UniProt ID: P0DTF7), UDP-N-acetylglucosamine 1-carboxyvinyl transferase (UniProt ID: A0A1S5RKE3), and clumping factor A (UniProt ID: Q53653). The tested compound achieved the highest binding score of ∆G =  − 10.9 kcal/mol at the cyclic AMP synthase active site (UniProt ID: P0DTF7), forming 26 interactions. The results demonstrated that the synthesized piperazine compound exhibits promising antibacterial and antifungal activities, highlighting its potential as a candidate for antimicrobial development.
The framing of elections: cooperation vs. competition
Authors: Alós-Ferrer Carlos , Garagnani Michele , García-Segarra Jaume
Published: January 2025

We show that framing an election as a “competition” compared to “cooperation” reduces the chances that egalitarian alternatives will win under Plurality Voting, but not under Approval Voting. Individual voting behavior shows that the effect is mainly driven by voters who switch to their selfishly payoff-maximizing alternatives under a competitive framework, but only when those are also payoff-efficient (in terms of sum of payoffs for the group). This shift does not happen for voters whose payoff-maximizing alternatives are not payoff-efficient, or even if a majority of voters are better off under the payoff-efficient alternative. This suggests that voters are more likely to switch to selfish payoff-maximizing alternatives under a competitive frame if they can (self-)justify the switch in terms of the common good.
Coupling effect of cyclic wet-dry environment and compaction state on desiccation cracking and mechanical behavior of low and high plastic clays
Authors: Shafqat Kamran , Khalid Usama , Rehman Zia ur
Published: January 2025

This study investigates the complex interplay between wetting–drying (W-D) cycles and initial compaction states on desiccation cracking and the mechanical behavior of different clayey soils. Natural CH, CL, and ML soils, distinguished by their chemical composition and plasticity, are subjected to a meticulously designed experimental program. The specimens are remolded at various initial compaction states, including the optimum moisture content (w

opt
) having maximum dry density (γ

dmax
), and wet and dry sides of the compaction curve having identical initial dry density (γ

d0
). Subsequently, they undergo multiple W-D cycles, systematically documented through cinematography. Mechanical response is assessed after different W-D cycles. It is observed that desiccation cracking within both CL and CH initiates after the first W-D cycle, intensifying rapidly after the second cycle and reaching an optimal cracking state after the third cycle. The crack analyses indicate a transition from surface cracking to deeper-seated cracks with an increase in W-D cycles. CH soil, characterized by a 2:1-layered clay mineral with a high propensity for swelling and shrinkage, exhibits elevated desiccation cracking at high w

0
for identical γ

d0
. Notably, CH soil exhibits maximum cracking at the w

opt
and γ

dmax
. In contrast, CL soil, characterized by a 1:1-layered clay mineral, displays an inverse response across all compaction states, and ML soil, characterized by a scarcity of clay mineral, shows insignificant cracks. This disparity in behavior is closely attributed to clay mineralogy and microstructure, which define the underlying mechanism responsible for the generation of internal stresses in the soil structure induced by moisture fluctuations causing desiccation cracking. Stiffness and unconfined compressive strength (q

u
) of CH and CL increase and compressibility decreases as w

0
increases after undergoing W-D cycles due to the volume shrinkage response of specimens. Meanwhile, for a particular compaction state, strength decreases while compressibility increases with increasing W-D cycles.
Irritability as a Transdiagnostic Construct Across Childhood and Adolescence: A Systematic Review and Meta-analysis
Authors: Chin Miriam , Robson Davina A. , Woodbridge Hannah , Hawes David J.
Published: January 2025

This meta-analytic review examined irritability across childhood and adolescence as it relates to symptoms of common mental health disorders in these periods. Of key interest was whether the relationship between irritability and symptom severity varies according to symptom domain. This was tested at the level of broad symptom dimensions (internalizing versus externalizing problems) as well as discrete diagnostic domains (e.g., anxiety, depression, oppositional defiant disorder, conduct disorder, attention deficit hyperactivity disorder; autism spectrum disorder). Following PRISMA guidelines, a systematic search of five databases was conducted to identify studies reporting on associations between irritability and mental health symptoms in samples of children aged 2–18 years. Meta-analytic tests based on random effects models examined concurrent and longitudinal associations between irritability and symptom severity. Meta-regression tested potential moderators including symptom domain, child age, sex, informant type, and study quality. 119 studies met inclusion criteria with a total of 122,456 participants. A significant and positive association was found between irritability and severity of concurrent overall psychopathology in the order of a moderate effect size, while small to moderate effect sizes characterized the association between irritability and later mental health outcomes in prospective data. Further variation in this association was seen across specific diagnostic domains and methodological moderators. Findings support the conceptualization of irritability as a transdiagnostic construct reflecting emotion dysregulation across diverse forms of psychopathology in childhood and adolescence. Further research into the risk mechanisms underlying irritability is needed, in addition to translational approaches to early intervention.
State-of-the-art of sustainability in sports facilities: a systematic review
Authors: Gregori-Faus Cristian , Crespo Josep , Calabuig Ferran , Parra-Camacho David
Published: January 2025

The importance of the sports context for sustainable development has been widely discussed in recent years. However, the contribution of sports facilities to sustainable development remains a topic rarely presented in academic literature. For this reason, this paper aims to synthesize the existing information in the literature related to sustainable development in the context of sports facilities, to this aim, a systematic review was carried out following the Preferred Reporting Items for Systematic reviews and Meta-Analyses (PRISMA) 2020 methodology via the Scopus and Web of Science databases where a total of 28 studies have been identified. Among them, most of them focus on environmental sustainability, also most of the current literature are qualitative studies and mainly focus on the sustainable performance of sports facilities and organizations. Through these results, a total of 16 categories and 49 indicators are established to assess the contribution of sports facilities to sustainable development. In conclusion, this study not also analyzes the state-of-the-art related to sustainability and sports facilities but also provides the basis for analyzing the sustainable performance of sports facilities including the three dimensions of sustainability (environmental, social and economic) according to the triple-bottom-line framework, allowing future assessments of sport facilities contribution to the sustainable development.
Recognizing integrality of weighted rectangles partitions
Authors: Deuker Paul , Friedrich Ulf
Published: January 2025

Given a grid of active and inactive pixels, the weighted rectangles partitioning (WRP) problem is to find a maximum-weight partition of the active pixels into rectangles. WRP is formulated as an integer programming problem and instances with an integral relaxation polyhedron are characterized by a balanced problem matrix. A complete characterization of these balanced instances is proved. In addition, computational results on balancedness recognition and on solving WRP are presented.
Exposure to Crime at Food Stores: Implications for Nutrition and Health among Black Americans
Authors: Singleton Chelsea R. , Gartner Danielle J. , Winata Fikriyah , Rose Donald , Sheehan Karen M. , McLafferty Sara L.
Published: January 2025

Crime is a public health issue that disproportionately affects racially-marginalized populations. Studies have reported that food stores (e.g., grocery stores, convenience stores) often attract crime due to their volume of cash transactions and limited security. Little is known about how exposure to crime at food stores affects nutrition or health. This study aimed to fill this research gap by exploring the lived experiences of Black Americans. In 2023, 502 Black-identifying adults completed a survey online. They reported their socio-demographics, fruit and vegetable (FV) consumption, food security status, height, weight, and experiences with crime at food stores in their community. Multivariable-adjusted regression models were examined to identify associations between exposure to crime at food stores and the following measures: low food security status, obesity status, and daily servings of FVs. Approximately 150 (29%) participants avoided one or more food stores in their community due to crime; 102 (20%) had witnessed a crime at a food store. Those who avoided food stores had greater odds of low food security (OR: 1.94; 95% CI: 1.25–3.02) and obesity (OR: 2.15; 95% CI: 1.33–3.48) compared to others. Those who witnessed a crime had greater odds of low food security (OR: 3.14; 95% CI: 1.82–5.41). Exposure to crime at food stores was not associated with FV consumption after adjusting for socio-demographics. Exposure to crime in food stores may have negative health and nutritional implications. Future studies should explore these implications for populations that are disproportionately affected by crime.