bluuebunny/crossref_metadata_2025_split huggingface dataset:
Eco‐Friendly Food Packaging Barrier Coatings Comprised of Ball‐Milled Polysaccharide Polyelectrolyte Complexes
Authors: Lin Wei‐Shu , Chi Kai , Catchmark Jeffrey M. 
Published: September 2024

ABSTRACTIncreasing demand for packaging has motivated research into sustainable materials to prevent continued plastic pollution. Materials based on polysaccharide polyelectrolyte complexes (PPCs) are emerging as a viable solution for packaging applications. We employed ball milling, a well‐established technology, for the preparation of PPC materials to create an innovative one‐step process capable of producing highly concentrated and homogeneous PPC particle precursor dispersions. We fabricated carboxymethyl cellulose (CMC) and chitosan (CS)–based PPC solutions exhibiting high‐solid loading and investigated the potential of PPC solutions made from ball milling as alternative barriers for packaging. PPC‐coated paperboard exhibited improved Cobb test performance and outstanding grease resistance as compared to pristine paper. The results certified that a single‐step process via ball milling can produce high‐solid content PPC solutions useful for creating bio‐based coatings with excellent barrier performance.
Pretreatment method for oxygen stable isotope ratio analysis of the sugar‐rich fraction in fruit juice via isotope ratio mass spectrometry
Authors: Watanabe Ayano , Terada Shoichi 
Published: September 2024

RationaleThe oxygen stable isotope ratio (δ18O) of the sugar‐rich fraction of fruit juice is important as a tracer of the geographical origin of raw material. This study sought to minimize the inter‐day variation of δ18O attributable to the influence of water to accurately monitor geographical origin labeling.MethodsTwo drying devices (freeze dryer and vacuum oven) were compared. Then, two humidity levels (normal and low humidity) at which the samples were placed after drying were compared. The low‐humidity environment was constructed using a glove bag and pure argon gas. δ18O was measured using thermal conversion elemental analyzer/isotope ratio mass spectrometry. Improvements were made to the measurement method based on aforementioned analyses results, and the performance of the initial and improved methods was compared.Resultsδ18O of juice dried in a vacuum oven was 3.30‰ lower than that of juice dried in a freeze dryer. Moreover, δ18O of juice samples exposed to normal humidity was 3.74‰ lower than that of samples exposed to low humidity. The combined inter‐day and intra‐day standard deviation was reduced from 1.20‰ in the initial method to 0.42‰ in the improved method.ConclusionsThis study describes a pretreatment method for δ18O measurement in the sugar‐rich fraction of fruit juice with less inter‐day variation, and it will be useful for monitoring geographical origin labeling.
A Design Strategy for Highly Active Oxide Electrocatalysts by Incorporation of Oxygen‐Vacancies
Authors: Acharya Narayan , Karki Surendra B. , Giordano Livia , Ramezanipour Farshid 
Published: September 2024

AbstractUsing both density functional theory (DFT+U) simulations and experiments, we show that the incorporation of an ordered array of oxygen‐vacancies in a perovskite oxide can lead to enhancement of the electrocatalytic activity for the oxygen‐evolution reaction (OER). As a benchmark, LaCoO3 was investigated, where the incorporation of oxygen‐vacancies led to La3Co3O8 (LaCoO2.67), featuring a structural transformation. DFT+U simulations demonstrated the effect of oxygen‐vacancies on lowering the potential required to achieve negative Gibbs Free Energy for all steps of the OER mechanism. This was also confirmed by experiments, where the vacancy‐ordered catalyst La3Co3O8 (LaCoO2.67) showed a remarkable enhancement of electrocatalytic properties over the parent compound LaCoO3 that lacked vacancies. We also synthesized and studied an intermediate system, with a smaller degree of oxygen‐vacancies, which showed intermediate electrocatalytic activity, lower than La3Co3O8 and higher than LaCoO3, confirming the expected trend and the impact of oxygen‐vacancies. Furthermore, we employed additional DFT+U calculations to simulate a hypothetical material with the same formula as La3Co3O8 but without the vacancy‐order. We found that the gap between centers of Co d and O p bands, which is considered an OER descriptor, would be significantly greater for a hypothetical disordered material compared to an ordered system.
Unraveling the Impact of Oxygen Vacancy on Electrochemical Valorization of Polyester Over Spinel Oxides
Authors: Kang Sailei , Guo Xuyun , Xing Dan , Yuan Wenfang , Shang Jian , Nicolosi Valeria , Zhang Ning , Qiu Bocheng 
Published: September 2024

AbstractElectrochemical upcycling of end‐of‐life polyethylene terephthalate (PET) using renewable electricity offers a route to generate valuable chemicals while processing plastic wastes. However, it remains a huge challenge to design an electrocatalyst with reliable structure‐property relationships for PET valorization. Herein, spinel Co3O4 with rich oxygen vacancies for improved activity toward formic acid (FA) production from PET hydrolysate is reported. Experimental investigations combined with theoretical calculations reveal that incorporation of VO into Co3O4 not only promotes the generation of reactive hydroxyl species (OH*) species at adjacent tetrahedral Co2+ (Co2+ Td), but also induces an electronic structure transition from octahedral Co3+ (Co3+ Oh) to octahedral Co2+ (Co2+ Oh), which typically functions as highly‐active catalytic sites for ethylene glycol (EG) chemisorption. Moreover, the enlarged Co‐O covalency induced by VO facilitates the electron transfer from EG* to OH* via Co2+ Oh‐O‐Co2+ Td interaction and the following C─C bond cleavage via direct oxidation with a glyoxal intermediate pathway. As a result, the VO‐Co3O4 catalyst exhibits a high half‐cell activity for EG oxidation, with a Faradaic efficiency (91%) and productivity (1.02 mmol cm−2 h−1) of FA. Lastly, it is demonstrated that hundred gram‐scale formate crystals can be produced from the real‐world PET bottles via two‐electrode electroreforming, with a yield of 82%.
Molecular and Dissociative Adsorbed Water Concentration and Surface Protonic Conduction in Nanocrystalline TiO2
Authors: Zhao Zihan , Wang Ruibin , Han Donglin , Ling Xiao , Chen Qianli 
Published: September 2024

AbstractSurface protonic conduction in porous nanocrystalline oxides is commonly involved in catalytic processes. The configuration of surface adsorbed water on oxides plays a crucial role in surface protonic conduction. However, studies on the impact of complex surface adsorbed water configuration on the surface water concentration and diffusivity remain limited, and hinder an in‐depth understanding of surface proton transport mechanisms, and the design of better surface proton conductors. Here, in situ Raman spectroscopy is utilized to quantitatively identify the contribution of dissociative and molecular adsorbed water components on porous nanocrystalline TiO2 surfaces between 25 and 200 °C. The variations in molecular and dissociative adsorbed water concentration agree with the predominant surface proton conduction mechanisms at three different temperature stages. From 40 to 125 °C, the reduced coverage of molecular adsorbed water layer results in the decreasing proton diffusivity. Water dissociation on the nanocrystalline TiO2 surface is easier in wet N2 than in wet O2, resulting in higher proton conductivity in wet N2; while the surface proton diffusivities in these two atmospheres are similar. The in situ spectroscopy technique enables the improvement of surface proton conducting oxides through quantitative evaluation and modulation of the surface proton concentration and diffusivity.
Enhanced Responsivity and Photostability of Cs3Bi2I9‐Based Self‐Powered Photodetector via Chemical Vapor Deposition Engineering
Authors: Vuong Van‐Hoang , Ippili Swathi , Pammi S.V.N. , Bae JeongJu , Yang Tae‐Youl , Jeong Min Ji , Chang Hyo Sik , Jeon Min‐Gi , Choi Jihoon , Tran Manh Trung , Tran Van‐Dang , Jella Venkatraju , Yoon Soon‐Gil 
Published: September 2024

AbstractLead‐based halide perovskites have gained significant prominence in recent years in optoelectronics and photovoltaics, owing to their exceptional optoelectronic properties. Nonetheless, the toxicity of lead (Pb) and the stability concern pose obstacles to their potential for future large‐scale market development. Herein, stable lead‐free Cs3Bi2I9 (CBI) films are presented with smooth and compact morphologies synthesized via chemical vapor deposition (CVD), demonstrating their application as an UV photodetector in a self‐powered way. The self‐powered photodetectors (SPDs) exhibit remarkable characteristics, including a responsivity of 1.57 A W−1 and an impressive specific detectivity of 3.38 × 1013 Jones under the illumination of 365 nm at zero bias. Furthermore, the SPDs exhibit a nominal decline (≈2.2%) in the photocurrent under constant illumination over 500 h, highlighting its impressive long‐term operational stability. Finally, the real‐time UV‐detection capability of the device is demonstrated by measuring the photocurrent under various conditions, including room light and sunlight at different times. These findings offer a new platform for synthesizing stable and high‐quality perovskite films, and SPDs for advancing the development of wearable and portable electronics.
Language teacher educators' identity development through self‐study: A case for collaboration and community
Authors: Andrei Elena , Salerno April S. , Kibler Amanda K. 
Published: September 2024

AbstractIn this conceptual feature article, we explore how our language teacher educator (LTE) identities have been shaped through collaboration around practice‐based research as we have engaged in more than a decade of self‐study of teacher education practices (S‐STEP) work. We consider three key aspects of our collaborative identities: (1) we have a shared identity and purpose as LTE researchers; (2) we also have individual LTE identities and so heterogeneity within our group is a strength; and (3) our shared and individual LTE identities are nested within a mutual community of trust. We have found that all three of these components are necessary to develop and sustain our collaborative work, which has a dual goal of contributing to the field while we strengthen our own practices. It is our hope this article can help guide LTEs who are seeking to develop their identities and expertise and searching for communities in which to do so.
Exploring the Development of Progressive Construction in Chinese and Japanese EFL Writing: A Usage‐Based Approach
Authors: Wang Gui , Wang Hui , Wang Li 
Published: September 2024

AbstractThis study investigates the developmental trajectory of progressive construction among Chinese and Japanese EFL learners through a usage‐based approach. A total of 600 written essays, produced by EFL learners from China and Japan with proficiency levels ranging from elementary to upper‐intermediate, were analyzed. The findings reveal that advanced EFL learners, irrespective of their L1 backgrounds, exhibit higher productivity in using progressive constructions, aligning more closely with native English speakers. Moreover, the results support the aspect hypothesis, as activity verbs are predominantly marked with progressive across all learner groups. As for the development of progressive construction, less prototypical verb types in progressives increase proportionally with proficiency levels in the top 10 contingencies. However, discrepancies in proportions among Chinese and Japanese EFL learners underscore the need for a further examination of the intricate patterns of non‐prototypical form‐meaning associations across L1 backgrounds. The present study bears significance in shedding light on the acquisition of tense‐aspect morphology influenced by L1 transfer and learner proficiency.
Microplastic evidence assessment from water and sediment sampling in a shallow tropical lake
Authors: Padilla‐Jimenez Samuel Macario , Moncayo‐Estrada Rodrigo , Maruri Daniel Tapia , Álvarez‐Bernal Dioselina 
Published: September 2024

AbstractMicroplastics (MPs) severely threaten inland waterbodies due to the direct impact of human activities. In the present study, spatial and temporal patterns of MPs in a shallow tropical lake were assessed, describing their size, morphology, and polymer types. Water and sediment samples were collected from Lake Chapala during three seasons, and MPs were quantified with a stereomicroscope. The structure, elemental composition, and polymeric composition were determined via environmental scanning electron microscopy and Fourier transform infrared spectroscopy. The highest average concentration of microplastics in Lake Chapala was detected during the low‐water period in April 2022 (2.35 items/L), exceeding the July 2022 rainy season concentration (1.8 items/L) by 0.25 items/L, and sediment concentrations were also higher in April 2022 (219 items/kg) compared to July 2022 (210 items/kg). This study highlights the significant pollution of Lake Chapala with microplastics, emphasizing the need for urgent measures to manage plastic waste and mitigate its environmental impact on aquatic ecosystems.Practitioner Points
Microplastic contamination was evaluated in Lake Chapala.
The distribution profiles of microplastics were different in each area.
Heavy metals osmium, tellurium, and rhodium were found associated with the PMs.
Polymers were found in this study.
A taxonomy of automatic differentiation pitfalls
Authors: Hückelheim Jan , Menon Harshitha , Moses William , Christianson Bruce , Hovland Paul , Hascoët Laurent 
Published: September 2024

AbstractAutomatic differentiation is a popular technique for computing derivatives of computer programs. While automatic differentiation has been successfully used in countless engineering, science, and machine learning applications, it can sometimes nevertheless produce surprising results. In this paper, we categorize problematic usages of automatic differentiation, and illustrate each category with examples such as chaos, time‐averages, discretizations, fixed‐point loops, lookup tables, linear solvers, and probabilistic programs, in the hope that readers may more easily avoid or detect such pitfalls. We also review debugging techniques and their effectiveness in these situations.This article is categorized under:
Technologies > Machine Learning
Re‐derivation and mathematical analysis for linear peridynamics model for arbitrary Poisson ratio's material
Authors: Zhang Shangyuan , Nie Yufeng 
Published: September 2024

AbstractThis paper is concerned with the modeling and mathematical analysis of linear peridynamic model for arbitrary Poisson ratio's material. Based on the fundamental laws of dynamics, we re‐derive the bond‐based peridynamic model for anisotropic materials by relaxing certain assumptions. Through this process, we draw several significant conclusions, such as the relationship between the equivalent strain energy density hypothesis and the convergence of the peridynamic operator to the classical Navier operator. Additionally, the well‐posedness of time‐dependent peridynamic equations of motion is established. Finally, some necessary conditions for the material stability of anisotropic material are given.
Classical Dynamical r-matrices for the Chern–Simons Formulation of Generalized 3d Gravity
Authors: Parra Juan Carlos Morales , Schroers Bernd J. 
Published: September 2024

AbstractClassical dynamical r-matrices arise naturally in the combinatorial description of the phase space of Chern–Simons theories, either through the inclusion of dynamical sources or through a gauge fixing procedure involving two punctures. Here we consider classical dynamical r-matrices for the family of Lie algebras which arise in the Chern–Simons formulation of 3d gravity, for any value of the cosmological constant. We derive differential equations for classical dynamical r-matrices in this case and show that they can be viewed as generalized complexifications, in a sense which we define, of the equations governing dynamical r-matrices for $$\mathfrak {su}(2)$$

su
(
2
)

and $$\mathfrak {sl}(2,{\mathbb {R}})$$

sl
(
2
,
R
)

. We obtain explicit families of solutions and relate them, via Weierstrass factorization, to solutions found by Feher, Gabor, Marshall, Palla and Pusztai in the context of chiral WZWN models.
A second life for the crystallographic structure of Berenil-dodecanucleotide complex: a computational revisitation thirty years after its publication
Authors: Novello Gianluca , Dodaro Andrea , Menin Silvia , Cavastracci Strascia Chiara , Sturlese Mattia , Salmaso Veronica , Moro Stefano 
Published: September 2024

AbstractThis study revisits the pioneering work of Professor Neidle, and co-workers, on the crystal structure of complexes formed between groove binders and DNA sequences. The original research revealed a DNA-ligand complex consisting of a dodecanucleotide bound with Berenil [1,3-bis(4′-amidinophenyl)-triazene] an anti-trypanocidal drug. This article aims to delve deeper into the structural dynamics of this system, showcasing the role played by water molecules in stabilizing the interaction between the ligand and the DNA. With this work, we reevaluate the findings from the original crystallographic study by employing modern molecular dynamics techniques, including Supervised Molecular Dynamics (SuMD) for generating binding trajectories, Thermal Titration Molecular Dynamics for assessing unbinding events, and AquaMMapS to identify regions occupied by stationary water molecules. The study addresses a minor and a major groove binding mode and assesses their strength and specificity using TTMD simulations, generating unbinding trajectories. This comprehensive approach integrates the understanding of the interaction of this DNA-ligand complex, which originated with the valuable work of Professor Neidle, resulting in an in-depth insight into the pivotal role of water molecules with this DNA, a behavior detected and extendable even to other nucleic acid complexes.
The Impact of Scars After DIEP-Flap Breast Reconstruction on Satisfaction and HR-QoL: A Cross-Sectional Study Comparing BREAST-Q Scores
Authors: Everaars Kristel E. , de Laat Erik H. , Young-Afat Danny A. , Tjin Esther P. M. , Ulrich Dietmar J. O. 
Published: September 2024

Abstract

Background
Although deep inferior epigastric perforator (DIEP) flap breast reconstruction is the most widely used technique for autologous breast reconstruction, this technique leads to large scars in visible areas on breast and abdomen. So far, limited studies have thoroughly addressed the impact of breast and abdominal scars on satisfaction and Health-related Quality of Life (HR-QoL).

Objectives
This research aimed to determine whether women with no/minor scar symptoms after undergoing DIEP-flap breast reconstruction differ in satisfaction and perceived HR-QoL from women with symptomatic scars.

Materials and Methods
In this cross-sectional survey study, women who had previously undergone DIEP-flap breast reconstruction completed an online survey. Patient-reported scar quality was assessed with the Patient and Observer Scar Assessment Scale (POSAS), and satisfaction and HR-QoL with BREAST-Q. Independent-samples t-tests were conducted to compare BREAST-Q scores between women with no/minor scar symptoms (POSAS overall opinion score 1–3) and women with symptomatic scars (POSAS overall opinion score 4–10).

Results
A total of 248 women completed the survey. Women with scar symptoms had significantly worse BREAST-Q scores on ‘Satisfaction with breasts,’ ‘Physical well-being,’ ‘Psychosocial well-being’ and, ‘Sexual well-being’ compared to women with no/minor scar symptoms (p ≤ 0.001).

Conclusion
After DIEP-flap breast reconstructions, women with symptomatic breast and abdominal scars had a clinically relevant and statistically significant lower degree of satisfaction and HR-QoL compared to women who had no/minor scar symptoms. We therefore recommend to explicitly and repeatedly address inevitability of visible scars after DIEP-flap breast reconstruction, aiming to improve preoperative patient selection and post-operative expectation management.

Level of Evidence IV
This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors www.springer.com/00266.
Electrochemotherapy and Calcium Electroporation on Hepatocellular Carcinoma Cells: An In-Vitro Investigation
Authors: Lindelauf K. H. K. , Baragona M. , Lemainque T. , Maessen R. T. H. , Ritter A. 
Published: September 2024

Abstract
Purpose
Electrochemotherapy, clinically established for treating (sub)cutaneous tumors, has been standardized in the framework of the European Standard Operating Procedure on Electrochemotherapy (ESOPE). Due to common side effects of chemotherapeutic drugs, recent advances focus on non-cytotoxic agents, like calcium, to induce cell death (calcium electroporation). Therefore, this study aims to determine the efficacy of electrochemotherapy with bleomycin or cisplatin, or calcium electroporation on human hepatocellular carcinoma cells (HepG2) in vitro using the ESOPE protocol.

Methods
HepG2 cell viability was measured with a MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay after electrochemotherapy with the chemotherapeutic drugs bleomycin or cisplatin (0–20 µM), or after calcium electroporation (0–20 mM), to determine its efficacy on HepG2 cells in vitro using the ESOPE protocol (8 rectangular pulses, 1000 V/cm, 100 µs) compared to non-electroporated drug treatment.

Results
Cell viability was significantly lower in electroporated samples, compared to their non-electroporated controls (27–75% difference). Electrochemotherapy with bleomycin and calcium electroporation, reached (almost) complete cell death (− 1 ± 3% and 2.5 ± 2%), in the lowest concentration of 2.5 µM and 2.5 mM, respectively. Electrochemotherapy with 2.5 µM cisplatin, significantly decreased cell viability to only 68% (± 7%).

Conclusion
Electrochemotherapy with bleomycin or cisplatin, or calcium electroporation were more effective in reducing the HepG2 cell viability in vitro using the ESOPE protocol compared to the non-electroporated drug treatments alone. When comparing electrochemotherapy, HepG2 cells are more sensitive to bleomycin than cisplatin, in similar concentrations. Calcium electroporation has the same effectiveness as electrochemotherapy with bleomycin, but calcium potentially has a better safety profile and several treatment advantages.

Graphical Abstract