bluuebunny/crossref_metadata_2025 huggingface dataset:
Energetics of Point Defects in D0a Ag3Sn: First‐Principles Calculations
Authors: Zotov Nikolay
Published: November 2024

The Ag3Sn intermetallic compound is commonly found and acts as a strengthening factor in the key lead‐free solders based on Sn‐Ag‐Cu. The Ag3Sn phase exhibits also an asymmetric off‐stoichiometry, which necessitates the existence of constitutional point defects. The presence of point defects can, in general, sensitively affect the plastic deformation of materials and the strengthening role of Ag3Sn in particular. To understand the nature of the point defects and the compositional stability of Ag3Sn, the relaxed structures and the energies of single point defects (vacancies and antisite defects) in all three sublattices of Ag3Sn are calculated at 0 K using ab initio density functional theory (DFT) and the supercell method. The first‐principles‐based calculations predict that the AgSn antisite defect (Ag substitution for Sn) has the smallest enthalpy of formation, thus indicating that the AgSn antisite defect is the dominant point defect in Ag3Sn. The point defect concentrations as a function of Sn content are estimated using the DFT defect energies and the Wagner–Schottky model. The compositional dependence of the point defect concentrations gives new insights on the atomistic mechanisms of formation of nonstoichiometric Ag3Sn.
First‐Principles Study of Structural and Elastic, Electronic, and Thermoelectric Properties of PdSe2
Authors: Abbas Akbar , Javed Yasir , Shah Shafqat Hussain , Li Chuanbo , Rafiq Muhammad Aftab
Published: November 2024

The thermoelectric material in orthorhombic (Pbca) phase is studied with the help of density functional theory implemented in WIEN2k. The main properties of investigated are elastic, electronic, and thermoelectric properties. The anisotropy factors obtained with the elastic constants indicate that is strongly anisotropic. The Tran and Blaha‐modified Becke–Johnson exchange potential is used for bandgap calculations. The BoltzTraP code is used to find out the thermoelectric properties of . At 300 K, the maximum value of the Seebeck coefficient is 200 μV K−1 for the hole carrier concentration of 2.5 × 1019 cm−3 and is 241 μV K−1 for the electron carrier concentration of 1.2 × 1019 cm−3. The power factor (PF) and figure of merit (ZT) are calculated for different carrier concentrations and temperatures. The optimum value of ZT for bulk PdSe2 as calculated in this work is ≈0.6 for hole carrier concentration (p = 2.6 × 1020 cm−3) at 800 K, which suggests as a potential material in thermoelectric applications at higher temperatures.
Examining wildfire dynamics using ECOSTRESS data with machine learning approaches: the case of South‐Eastern Australia's black summer
Authors: Zhu Yuanhui , Murugesan Shakthi B. , Masara Ivone K. , Myint Soe W. , Fisher Joshua B.
Published: November 2024

Wildfires are increasing in risk and prevalence. The most destructive wildfires in decades in Australia occurred in 2019–2020. However, there is still a challenge in developing effective models to understand the likelihood of wildfire spread (susceptibility) and pre‐fire vegetation conditions. The recent launch of NASA's ECOSTRESS presents an opportunity to monitor fire dynamics with a high resolution of 70 m by measuring ecosystem stress and drought conditions preceding wildfires. We incorporated ECOSTRESS data, vegetation indices, rainfall, and topographic data as independent variables and fire events as dependent variables into machine learning algorithms applied to the historic Australian wildfires of 2019–2020. With these data, we predicted over 90% of all wildfire occurrences 1 week ahead of these wildfire events. Our models identified vegetation conditions with a 3‐week time lag before wildfire events in the fourth week and predicted the probability of wildfire occurrences in the subsequent week (fifth week). ECOSTRESS water use efficiency (WUE) consistently emerged as the leading factor in all models predicting wildfires. Results suggest that the pre‐fire vegetation was affected by wildfires in areas with WUE above 2 g C kg−1 H₂O at 95% probability level. Additionally, the ECOSTRESS evaporative stress index and topographic slope were identified as significant contributors in predicting wildfire susceptibility. These results indicate a significant potential for ECOSTRESS data to predict and analyze wildfires and emphasize the crucial role of drought conditions in wildfire events, as evident from ECOSTRESS data. Our approaches developed in this study and outcome can help policymakers, fire managers, and city planners assess, manage, prepare, and mitigate wildfires in the future.
Bayesian Safety and Futility Monitoring in Phase II Trials Using One Utility‐Based Rule
Authors: Lee Juhee , Thall Peter F.
Published: November 2024

For phase II clinical trials that determine the acceptability of an experimental treatment based on ordinal toxicity and ordinal response, most monitoring methods require each ordinal outcome to be dichotomized using a selected cut‐point. This allows two early stopping rules to be constructed that compare marginal probabilities of toxicity and response to respective upper and lower limits. Important problems with this approach are loss of information due to dichotomization, dependence of treatment acceptability decisions on precisely how each ordinal variable is dichotomized, and ignoring association between the two outcomes. To address these problems, we propose a new Bayesian method, which we call U‐Bayes, that exploits elicited numerical utilities of the joint ordinal outcomes to construct one early stopping rule that compares the mean utility to a lower limit. U‐Bayes avoids the problems noted above by using the entire joint distribution of the ordinal outcomes, and not dichotomizing the outcomes. A step‐by‐step algorithm is provided for constructing a U‐Bayes rule based on elicited utilities and elicited limits on marginal outcome probabilities. A simulation study shows that U‐Bayes greatly improves the probability of determining treatment acceptability compared to conventional designs that use two monitoring rules based on marginal probabilities.
Role of Sulfur in Enhancing UV‐Light Absorption and Photoelectrochemical Performance of ZnO/N,S‐doped CQDs Nanocomposite
Authors: Giasari Afifah Salma , Pratama Rifky Adhia , Eddy Diana Rakhmawaty , Irkham  , Adzani Muchammad Dhuhri , Fransisca Natasha , Pratomo Uji , Gultom Noto Susanto , Indriyati  , Primadona Indah
Published: November 2024

The modification of ZnO, such as transforming it from 1‐D to 3‐D nanostructures or compositing it with carbon‐based materials, has been extensively explored to enhance light energy harvesting and reduce electron‐hole recombination‐key limitations of ZnO. Herein, the effect of different composite materials, specifically nitrogen‐doped carbon quantum dots (N‐CQDs) and nitrogen, sulfur‐doped carbon quantum dots (N,S‐CQDs), on ZnO's morphology and photocurrent response was studied. Various morphologies were synthesized on conductive glass substrate using a one‐pot hydrothermal method, including flower‐like structure for ZnO/N‐CQDs (∼d = 0.9 µm) and multilayered microspheres for ZnO/N,S‐CQDs (∼d = 1.1 µm). The inclusion of sulfur atoms in the composite resulted in a reduced bandgap value from 3.22 to 3.11 eV, along with enhanced light absorption efficiency and improved separation of photogenerated electron‐hole pairs. Furthermore, the crystallinity of ZnO/N,S‐CQDs was significantly enhanced compared to ZnO without sulfur doping. These improvements were reflected in the photoelectrochemical (PEC) measurements, where ZnO/N,S‐CQDs showed a current density of 21.8 µA/cm2 at 0.5 V (vs. Ag/AgCl), which is 5.5 times higher than that of ZnO/N‐CQDs (4.0 µA/cm2). These findings demonstrate that sulfur doping improves photocatalytic efficiency, making 3D ZnO/N,S‐CQDs a promising candidate for various UV‐driven PEC applications.
Synthesis and Characterization of Chitosan–Silver Nanocomposite Film: Antibacterial and Cytotoxicity Study
Authors: Ogungbesan Shephrah Olubusola , Buxaderas Eduardo , Adedokun Rosemary Anwuli , Moglie Yanina , Grijalvo Santiago , García María Teresa , Bingbing Cui , Díaz Díaz David , Fu Guodong
Published: November 2024

This study is aimed at the in situ preparation and antibacterial study of silver nanoparticles within the matrix of an eco‐friendly, biocompatible, biodegradable, and bioavailable biopolymer (chitosan) to form Chi–AgNP film via multiple noncovalent interactions between the organic polymer and the nanoparticles. The film is fully characterized by infrared and ultraviolet spectroscopy, scanning electron microscopy, transmission electron microscopy, X‐ray photoelectron spectroscopy, and thermogravimetric analysis. The characterization confirms the successful incorporation of silver nanoparticles into the polymeric network. Infrared spectroscopy reveals peaks corresponding to the vibration of functional groups present in chitosan with enhanced intensity and blueshifts caused by the presence of silver nanoparticles. Well‐monodispersed spherical silver nanoparticles with an average size of 10 nm are observed in the Chi–AgNP film. The surface plasmon resonance at 447 nm is consistent with a typical silver plasmon. Furthermore, the antibacterial effects on E. coli and S. aureus were determined and attributed to the release of AgNPs observed by UV absorption.
A Single‐Atom Mn/MoO3−x Nanoagonist for Cascade cGAS/STING Activation in Tumor‐Specific Catalytic Metalloimmunotherapy
Authors: Hu Xi , Ma Zhiyuan , Zhang Bo , Wang Jie , Zhou Yan , Li Jun , Liu Tianqi , Zhang Jingxin , Hong Bangzhen , Zhu Mingjian , Li Fangyuan , Ling Daishun
Published: November 2024

The cyclic GMP‐AMP synthase (cGAS)/stimulator of interferon genes (STING) pathway plays a crucial role in initiating anti‐tumor immunity. Despite the development of various STING agonists, their effectiveness is often limited by suboptimal activation efficiency and poor sustainability. To address this, a Mn/MoO3−x nanoagonist featuring Mn single‐atom sites is presented, designed for cascade cGAS/STING activation in tumor‐specific catalytic metalloimmunotherapy. The single‐atom nanoagonist (SANA) is meticulously crafted by doping Mn atoms into defective molybdenum oxide (MoO3−x), enabling robust peroxidase‐mimicking catalysis and inducing severe double‐stranded DNA (dsDNA) damage in tumors. Of note, Mn2+ and MoO42− can be responsively released from Mn/MoO3−x SANA and enhance the sensitivity of cGAS to dsDNA. Importantly, MoO42− with a relatively slow‐release profile and facile cellular accumulation compensates for Mn2+ that has poor cellular accumulation due to continuous efflux, thus continuatively triggering the secretion of type I interferon for beyond 72 h. Remarkably, Mn/MoO3−x SANA significantly inhibits tumor growth and metastasis without supplementary STING agonists or external stimulation. This study offers a promising cascade cGAS/STING activation approach to enhance the efficacy and sustainability of catalytic metalloimmunotherapy.
Elucidating the Chemical Pre‐Lithiation Mechanism of Hard Carbon Anodes for Ultra‐high Stability Lithium‐Ion Batteries
Authors: Li Muxuan , Yuan Junsheng , Jin Mengjing , Ni Xia , Chang Peng , Sun Guowen , Pan Xiaojun
Published: November 2024

The hard carbon (HC) anode materials demonstrate high capacity and excellent rate performance in lithium‐ion batteries. However, HC anodes suffer from excessive loss of Li+ ions during the formation of the solid electrolyte interphase (SEI) film, leading to poor cycling stability, which hinders their large‐scale applications. Herein, a facile pre‐lithiation strategy is proposed to achieve multi‐functional precompensation of carbon nanofibers (CNFs) anodes. Both experimental and density functional theory (DFT) calculation results revealed that the strategy compensated for the loss of Li+ ions and reacted with four structures of CNFs during pre‐lithiation, including tiny graphite domains, CO‐containing functional groups, defects, and micropores. Furthermore, the lithium in pre‐lithiated carbon nanofibers (pCNFs) existed in various forms, consisting of LiC24 and LiC18, Li─O─C, quasi‐metallic lithium, and Li+ ions. Moreover, the uniformly distributed lithium on the surface of pCNFs induced the formation of denser and more robust LiF/Li2CO3‐rich SEI film, which promoted Li+ ions transport. As a result, pCNFs showed more stable cycling performance (369.8 mAh g−1, almost no decay for 1500 cycles). This work provides deeper insight into chemical pre‐lithiation and offers a simple and mild strategy for highly stable batteries.
Asymmetric Alkyl Chain Engineering for Efficient and Eco‐Friendly Organic Photovoltaic Cells
Authors: Wang Tao , Cui Yong , Ren Junzhen , Yu Yue , Wang Jianqiu , Yang Ni , Zhang Tao , Hou Jianhui
Published: November 2024

Recent advancements in organic photovoltaic (OPV) cells have resulted in power conversion efficiencies (PCEs) surpassing 20%. However, the use of halogen solvents in the fabrication of OPV cells raises concerns due to their potential environmental and health impacts. In this work, a novel non‐fullerene small molecule acceptor BO‐AM‐4F, featuring an asymmetric alkyl chain design that includes a 2‐butyloctyl and a unique 6‐(hexylamino)‐6‐oxohexyl chain is synthesized. This design significantly improves molecular packing, crystallinity, and electrostatic potential distribution compared to the controlled acceptor DBO‐4F, which possesses symmetric 2‐butyloctyl chains. When combined with the polymer donor PBDB‐TF and processed using the non‐halogen solvent o‐xylene, the BO‐AM‐4F‐based OPV cell achieves an impressive PCE of 18.0%, surpassing the 16.6% PCE observed in the PBDB‐TF:DBO‐4F device. Furthermore, the PBDB‐TF:BO‐AM‐4F system demonstrates enhanced photostability and thermal stability compared to its DBO‐4F counterpart. These findings emphasize asymmetric alkyl chain engineering as an effective strategy for developing high‐performance, environmentally friendly OPV materials. This represents a significant step towards sustainable OPV technology.
Molecular Identification, Histopathology and Antibiotic Susceptibility Profiling of Aeromonas veronii Isolated from Oreochromis niloticus in Bangladesh
Authors: Bari Sayed Mashequl , Islam Mohammad Muttakinul , Amina Aktia , Khatun Marufa , Shahabuddin A. M.
Published: November 2024

Background

Tilapia (Oreochromis niloticus) is the most widely cultured freshwater fish species in Bangladesh and worldwide. However, commercial tilapia culture systems face increasing challenges from bacterial infections.

Objectives

The objective of this study was to identify the bacterial isolates from infected tilapia in an intensive cage culture farm located along the Shitalakshya River in Bangladesh.

Methods

Infected fish samples were collected and underwent comprehensive clinical and post‐mortem investigations, followed by phenotypic, biochemical and molecular identification of the bacterial isolates, as well as histopathological and antibiotic susceptibility examinations.

Results

Phenotypic and biochemical characterization showed similarities of the ‐collected isolates with Aeromonas veronii. Moreover, molecular analysis of the bacterial conserved region 16S rRNA also confirmed these isolates as A. veronii. The analysed 16S rRNA sequence (GenBank accession no. PP832815) showed a close relationship (100% identity) with A. veronii from China (GenBank accession no. MT071624) in the NCBI BLAST search, and in the phylogenetic tree, they grouped in a single clade. This close genetic relationship is also supported by the low genetic distance between the isolates. Histopathological analysis revealed gross pathological changes like necrosis, hypertrophy and inflammation in muscle tissues. The isolates were found to be sensitive to multiple antibiotics but resistant to trimethoprim and sulphamethoxazole.

Conclusion

This study investigated the presence of A. veronii infection in tilapia (O. niloticus) in an intensive cage culture farm in Bangladesh.
Three Stages of Nascent Protein Translocation Through the Ribosome Exit Tunnel
Authors: Kolář Michal H. , McGrath Hugo , Nepomuceno Felipe C. , Černeková Michaela
Published: November 2024

All proteins in living organisms are produced in ribosomes that facilitate the translation of genetic information into a sequence of amino acid residues. During translation, the ribosome undergoes initiation, elongation, termination, and recycling. In fact, peptide bonds are formed only during the elongation phase, which comprises periodic association of transfer RNAs and multiple auxiliary proteins with the ribosome and the addition of an amino acid to the nascent polypeptide one at a time. The protein spends a considerable amount of time attached to the ribosome. Here, we conceptually divide this portion of the protein lifetime into three stages. We define each stage on the basis of the position of the N‐terminus of the nascent polypeptide within the ribosome exit tunnel and the context of the catalytic center. We argue that nascent polypeptides experience a variety of forces that determine how they translocate through the tunnel and interact with the tunnel walls. We review current knowledge about nascent polypeptide translocation and identify several white spots in our understanding of the birth of proteins.
CBCT-based online adaptive radiotherapy of the prostate bed: first clinical experience and comparison to nonadaptive conventional IGRT
Authors: Fischer J. , Fischer L. A. , Bensberg J. , Bojko N. , Bouabdallaoui M. , Frohn J. , Hüttenrauch P. , Tegeler K. , Wagner D. , Wenzel A. , Schmitt D. , Guhlich M. , Leu M. , El Shafie R. , Stamm G. , Schilling A.-F. , Dröge L. H. , Rieken S.
Published: November 2024

Purpose

Conventional image-guided radiotherapy (IGRT) of the prostate bed is challenged by the varying anatomy due to dynamic changes of surrounding organs such as the bladder and rectum. This leads to changed dose coverage of target and surrounding tissue. The novel online adaptive radiotherapy (oART) aims to improve target coverage as well as reduce dose exposure to surrounding healthy tissues by daily reoptimization of treatment plans. Here we set out to quantify the resulting changes of this adaptation for patients and treatment team.

Methods

A total of 198 fractions of radiotherapy of the prostate bed (6 patients) were treated using oART with the Ethos accelerator (Varian Medical Systems, Palo Alto, CA, USA). For each fraction, volumes and several dose–volume parameters of target volumes and organs at risk were recorded for the scheduled plan (initial plan, recalculated based on daily cone beam computed tomography [CBCT]), the adapted plan, and the verification plan, which is the dose distribution of the applied plan recalculated on the closing CBCT after the adaptation process. Clinical acceptability for all plans was determined using given dose–volume parameters of target volumes. Additionally, the time needed for the adaptation process was registered and compared to the time required for the daily treatment of five conventional IGRT patients.

Results

Volumes of target and organs at risk (OAR) exhibited broad variation from day to day. The differences in dose coverage D98% of the clinical target volume (CTV) were significant through adaptation (p < 0.0001; median D98% 97.1–98.0%) and further after verification CBCT (p < 0.001; median D98% 98.1%). Similarly, differences in D98% of the planning target volume (PTV) were significant with adaptation (p < 0.0001; median D98% 91.8–96.5%) and after verification CBCT (p < 0.001; median D98% 96.4%) with decreasing interquartile ranges (IQR). Dose to OAR varied extensively and did not show a consistent benefit from oART but decreased in IQR. Clinical acceptability increased significantly from 19.2% for scheduled plans to 76.8% for adapted plans and decreased to 70.7% for verification plans. The scheduled plan was never chosen for treatment. The median time needed for oART was 25 min compared to 8 min for IGRT.

Conclusion

Target dose coverage was significantly improved using oART. IQR decreased for target coverage as well as OAR doses indicating higher repeatability of dose delivery using oART. Differences in doses after verification CBCT for targets as well as OAR were significant compared to adapted plans but did not offset the overall dosimetric gain of oART. The median time required is three times higher for oART compared to IGRT.
Hydrothermal mineral replacement of bastnäsite by rhabdophane and monazite: effects of temperature on mineralogy, REE immobilisation, and fractionation
Authors: Knorsch Manuel , Bamforth Tobias G. , Xia Fang , Deditius Artur P. , Pearce Mark A. , Schoneveld Louise , Roberts Malcolm P.
Published: November 2024

The rare-earth elements (REEs, La–Lu, Y) are essential for the development of renewable technologies. Bastnäsite (REECO3F) is a common REE ore mineral that is often subject to hydrothermal alteration at all crustal levels. Mechanisms of hydrothermal bastnäsite alteration therefore govern the evolution of REE deposits, though these mechanisms remain poorly understood. This experimental work investigates the hydrothermal replacement of bastnäsite by rhabdophane (REEPO4∙xH2O, x = 0–1) and monazite (REEPO4) in phosphatic fluids. Two temperature-dependent alteration pathways were identified; both follow the coupled dissolution-reprecipitation (CDR) mechanism. At 90 °C, bastnäsite was replaced by highly-porous metastable rhabdophane which was then replaced by monazite, forming an inner layer of rhabdophane and an outer layer of monazite. At 220 °C, bastnäsite was replaced directly by monazite. Although replacement initiated more quickly at 220 °C, greater overall replacement occurred at 90 °C (~ 61 wt.% after 500 h, compared to ~ 13 wt.% at 220 °C) due to surface passivation by monazite at 220 °C. Geochemical analyses showed REE fractionation during bastnäsite alteration. At 90 °C, rhabdophane was enriched in heavy REEs (Eu–Lu, Y), likely due to the evolving fluid chemistry, while at 220 °C secondary monazite was enriched in Sm and Ho compared to bastnäsite. These results indicate that: 1) the hydrothermal alteration of bastnäsite by rhabdophane and monazite in ore deposits leads to REE immobilisation, with little net loss of REEs to solution; 2) rhabdophane is metastable relative to monazite at 90 °C, and; 3) variable temperatures can cause different mineral textures and REE fractionation trends during hydrothermal alteration and mineral replacement.
Aromatic plants as cosmeceuticals: benefits and applications for skin health
Authors: Olivero-Verbel Jesus , Quintero-Rincón Patricia , Caballero-Gallardo Karina
Published: November 2024

Main conclusion

This review highlights the potential of aromatic plants as natural antioxidants in cosmeceuticals to combat skin aging and promote health and rejuvenation.

Aromatic plant extracts, essential oils, or their phytoconstituents have a long history of use in skincare, dating back centuries. Currently, these plant-based sources are extensively researched and utilized in the cosmeceutical industry to formulate products that enhance skin health and promote a youthful appearance. These plants’ diverse bioactivities and sensory properties make them ideal ingredients for developing anti-aging agents recommended for maintaining healthy skin through self-care routines, offering a natural alternative to synthetic products. Reactive oxygen species (ROS) accumulation in the dermis, attributed to intrinsic and extrinsic aging factors, particularly prolonged sun exposure, is identified as the primary cause of skin aging. Plant extracts enriched with antioxidant compounds including flavonoids, phenolics, tannins, stilbenes, terpenes, and steroids, are fundamental to counteract ROS-induced oxidative stress. Noteworthy effects observed from the use of these natural sources include photoprotective, senolytic, anti-inflammatory, anti-wrinkle, anti-acne, and anti-tyrosinase activities, encompassing benefits like photoprotection, wound healing, skin whitening, anti-pigmentation, tissue regeneration, among others. This review highlights several globally distributed aromatic plant species renowned for their benefits for skin, including Foeniculum vulgare Mill. (Apiaceae), Calendula officinalis L. and Matricaria chamomilla L. (Asteraceae), Thymus vulgaris L. (Lamiaceae), Litsea cubeba (Lour.) Pers. (Lauraceae), Althaea officinalis L. (Malvaceae), Malaleuca alternifolia (Maiden y Betche) Cheel (Myrtaceae), Cymbopogon citratus (DC.) Stapf (Poaceae), Rubus idaeus L. (Rosaceae), and Citrus sinensis L. Osbeck (Rutaceae), emphasizing their potential in skincare formulations and their role in promoting health and rejuvenation.
Thyroid cytology in pediatric patients: a single-center study from 2015 to 2023—is there a necessity for distinct treatment approaches for patients with and without autoimmune thyroiditis?
Authors: Kujdowicz Monika , Januś Dominika , Radliński Jan , Kiszka-Wiłkojć Aleksandra , Taczanowska-Niemczuk Anna , Młynarski Damian , Górecki Wojciech , Starzyk Jerzy B. , Adamek Dariusz
Published: November 2024

The management of thyroid nodules is guided by the cytological classification provided by The Bethesda System for Reporting Thyroid Cytology. Notably, the biology of thyroid tumors in pediatric patients differs from that in adults, and there is limited research focused on pediatric cases. This study aimed to assess the effectiveness of the Bethesda system in pediatric patients treated at the largest tertiary pediatric thyroid center in Poland between 2015 and 2023. A retrospective analysis was conducted on 566 patients with thyroid nodules, of whom 555 underwent fine-needle aspiration biopsy (FNAB). A total of 217 patients underwent thyroid surgery. Of these, 206 had previously undergone FNAB with cytological evaluation at our center, while 11 patients underwent thyroid surgery due to a RET mutation or the need for an extended procedure. The initial FNAB results showed distribution across Bethesda categories as follows: 7.6% for category I, 54.6% for category II, 20.9% for category III, 4.1% for category IV, 7.6% for category V, and 5.6% for category VI. Among patients who underwent surgery, the distribution of Bethesda categories I through VI was 2.9%, 25.2%, 29.1%, 8.3%, 19.4%, and 15%, respectively. The risk of malignancy (ROM) from the initial FNAB was estimated at 33.3%, 11.5%, 22.2%, 4.8%, 84.4%, and 96.8% for Bethesda categories I through VI, respectively. In patients with autoimmune thyroiditis (AIT), the ROM was higher than in non-AIT patients for Bethesda categories I through IV, while it was lower in category VI. The sensitivity for detecting non-benign neoplasms across Bethesda categories III through VI was approximately 86% in both AIT and non-AIT patients. However, for papillary thyroid carcinoma, sensitivity in Bethesda categories V and VI was 86% in non-AIT patients but decreased to 61.5% in AIT patients. These findings emphasize the importance of considering surgical intervention in pediatric patients with Bethesda III-VI cytology, particularly in those with AIT.
Maternal alexithymia and caregiving behavior: the role of executive functioning - A FinnBrain Birth Cohort study
Authors: Nordenswan Elisabeth , Deater-Deckard Kirby , Kataja Eeva-Leena , Karrasch Mira , Laine Matti , Pelto Juho , Holmberg Eeva , Lahtela Hetti , Ahrnberg Hanna , Kajanoja Jani , Karukivi Max , Karlsson Hasse , Karlsson Linnea , Korja Riikka
Published: November 2024

Purpose

The growing interest in parental cognition calls for research clarifying how cognition interacts with other parenting determinants to shape caregiving behavior. We studied the interplay between executive functioning (EF; cognitive processes that enable goal-directed thinking and behavior) and alexithymic traits (characterized by emotion processing/regulation difficulties) in relation to emotional availability (EA; the dyad’s ability to share an emotionally healthy relationship). As EF has been reported to shape parents’ ability to regulate thoughts and emotions during caregiving, we examined whether EF moderated the association between maternal alexithymic traits, and EA.

Methods

Among 119 mothers with 2.5-year-olds drawn from the FinnBrain Birth Cohort, EF was measured with Cogstate tasks, alexithymic traits with the Toronto Alexithymia Scale (TAS-20), and caregiving with the Emotional Availability Scales (EAS).

Results

More alexithymic traits on the TAS-20 subscale Externally Oriented Thinking (EOT) were associated with poorer caregiving in a hierarchical regression analysis (ΔR
2 = 0.05, p = .01). A marginally significant moderation effect was found when adding the EOTxEF interaction term to the model (ΔR
2 = 0.03, p = .06). These associations weakened slightly when controlling for education level. Estimation of simple slopes and a Johnson-Neyman figure indicated a significant association between higher EOT and lower EAS, that increased in strength as EF decreased from the group mean level.

Conclusions

The influence of cognitive alexithymic traits on EA could be especially pronounced among low EF parents, but further studies are needed to support and extend the findings. The potential role of parental reflective functioning in this context is discussed.
A projection-free method for solving convex bilevel optimization problems
Authors: Giang-Tran Khanh-Hung , Ho-Nguyen Nam , Lee Dabeen
Published: November 2024

When faced with multiple minima of an inner-level convex optimization problem, the convex bilevel optimization problem selects an optimal solution which also minimizes an auxiliary outer-level convex objective of interest. Bilevel optimization requires a different approach compared to single-level optimization problems since the set of minimizers for the inner-level objective is not given explicitly. In this paper, we propose a new projection-free conditional gradient method for convex bilevel optimization which requires only a linear optimization oracle over the base domain. We establish $$O(t^{-1/2})$$

O
(

t

-
1
/
2

)

convergence rate guarantees for our method in terms of both inner- and outer-level objectives, and demonstrate how additional assumptions such as quadratic growth and strong convexity result in accelerated rates of up to $$O(t^{-1})$$

O
(

t

-
1

)

and $$O(t^{-2/3})$$

O
(

t

-
2
/
3

)

for inner- and outer-levels respectively. Lastly, we conduct a numerical study to demonstrate the performance of our method.
Possible formation of long-lived photo-oxidants by photolysis of organic matter phenols in sunlit waters
Authors: Brigante Marcello , Vione Davide
Published: November 2024

Photodegradation in sunlit waters is a major process of contaminant abatement, yet underlying chemical processes in the presence of dissolved organic matter are poorly known. Long-lived photo-oxidants are reactive species formed when the chromophoric dissolved organic matter absorbs sunlight, and they are involved in the degradation of contaminants. Previous works identified long-lived photo-oxidants with phenoxy radicals, which could be formed upon oxidation of natural phenols by the excited triplet states of chromophoric dissolved organic matter. Here, we generated reactive phenoxy radicals by direct ultraviolet-A photolysis of 2-nitrophenol and 4-nitrophenol. We measured the second-order rate constants for reaction of these phenoxy radicals with 2,4,6-trimethylphenol, a model electron-rich phenol. Results show rate constants of 9.39 × 108(M﻿−1s−1) for the 2-nitrophenoxyl radical, and 1.56 × 108(M﻿−1s﻿−1) for the 4-nitrophenoxyl radical. These values are slightly lower than the typical rate constant of the reaction between 2,4,6-trimethylphenol and the excited triplet states of chromophoric dissolved organic matter, of 3 × 109(M−1s−1). This means that 2,4,6-trimethylphenol would not be degraded to comparable extents by the excited triplet states of chromophoric dissolved organic matter and by long-lived photo-oxidants, if long-lived photo-oxidants were generated solely by the triplet states of chromophoric dissolved organic matter. Overall, findings suggest the occurrence of new pathway involving the direct photolysis of organic matter phenols that generates long-lived photo-oxidants.
Modelling mathematics for educational research and practice: a comparison of two theoretical approaches
Authors: Hochmuth Reinhard , Peters Jana , Rønning Frode , Winsløw Carl
Published: November 2024

The production and use of explicit models of mathematics are important elements of research in Didactics of Mathematics. In this paper, we present and compare two different European approaches to didactical modelling. The first, centred around the notion of basic idea (Grundvorstellung), arose in German-speaking countries as a development within Subject Matter Didactics (Stoffdidaktik). The second is the notion of praxeology from the Anthropological Theory of the Didactic, which originated in France. After presenting the genesis and interpretation of these notions as theoretical modelling tools, we provide a detailed case study of actual models produced with these tools, concerning the notion of limits and derivatives. Furthermore, we identify similarities and differences of both models in how they can support didactical research and practice, for instance, by identifying important phenomena or problems. We conclude that the two approaches offer important, different and, to some extent, complementary positions and perspectives.
Therapeutic applications of eucalyptus essential oils
Authors: Shiekh Riham A. El , Atwa Ahmed M. , Elgindy Ali M. , Mustafa Aya M. , Senna Mohamed Magdy , Alkabbani Mahmoud Abdelrahman , Ibrahim Kawther Magdy
Published: November 2024

Eucalyptus essential oils (EEOs) have gained significant attention recently anticipated to their broad range of prospective benefits in various biological applications. They have been proven to have strong antibacterial properties against a variety of bacteria, fungi, and viruses. This makes them valuable in combating infections and supporting overall hygiene. The active compounds present in these oils can help alleviate inflammation, making them valuable in addressing inflammatory conditions such as arthritis, respiratory ailments, and skin disorders. Respiratory health benefits are another prominent aspect of EEOs. Inhalation of these oils can help promote clear airways, relieve congestion, and ease symptoms of respiratory conditions like coughs, colds, and sinusitis. They are often utilized in inhalation therapies and chest rubs. They can be used topically or in massage oils to alleviate muscle and joint pain. Furthermore, these oils have shown potential in supporting wound healing. Their antimicrobial activity helps prevent infection, while their anti-inflammatory and analgesic properties contribute to reducing inflammation and pain associated with wounds. In aromatherapy, EEOs are renowned for their invigorating and uplifting qualities, promoting mental clarity, relaxation, and stress relief. Overall, EEOs hold great promise in biological applications, offering a natural and versatile approach to promote health and well-being. Continued research and exploration of their therapeutic potential will further unveil their benefits and broaden their applications in various fields.
Probabilistic seismic hazard analysis in Northern Algeria using the Parametric-Historic method
Authors: Bellalem Fouzi , Pavlenko Vasily A. , Molina Sergio , Maouche Said , Sawires Rashad , Bezzeghoud Mourad , Talbi Abdelhak , Mobarki Mourad
Published: November 2024

In this study the seismic hazard in Northern Algeria is analyzed by using a probabilistic approach, and specifically the parametric-historic method. This method enables the incorporation of the entire accessible seismic history into the analysis and effectively addresses both the spatial heterogeneity and temporal variability of the seismicity parameters. The recently compiled earthquake catalog covering the region and spanning the period from 1658 to 2018 was used for estimating the seismicity parameters. The seismic hazard maps in terms of peak ground acceleration (PGA) were calculated for return period of 475 years for rock, stiff soil, and soft soil conditions. The uniform hazard spectra (UHS) for the major cities in Northern Algeria were calculated for the same conditions. The largest PGA values are observed near the cities of Chlef, Algiers, Blida, Medea, and Tipasa. Arguably the most important obtained result is evident in the seismic hazard estimates for the capital city of Algiers, which significantly exceed previously published estimates.
Club convergence in regional labor productivity: how do Australian states and territories compare to the US, UK, and Canadian subnational regions?
Authors: Temoso Omphile , Koomson Isaac , Thomy Buyani
Published: November 2024

Developing strategies to enhance productivity growth requires identifying leading and lagging regions, industries, and growth drivers. However, there are limited cross-country studies using subnational data. Our study goes beyond the traditional country convergence approach and estimates labor productivity convergence using Philips and Sul’s club convergence approach and subnational data from 2004 to 2020. We aim to determine whether labor productivity growth rates in Australian states and territories are equal, converging, or divergent as compared to United States, United Kingdom, and Canadian subnational regions. The results show that five Australian jurisdictions, including Western Australia and New South Wales, are in the high labor productivity group (Club 1), while the remaining three i.e., Australian Capital Territory, Victoria, and Queensland, are in the moderate growth group (Club 2). We also used fixed effects models with least squares dummy variable estimators to identify the club’s characteristics. The results show that regions with a high proportion of employees in information and communications technology, energy, mining, and resources experienced higher labor productivity growth than those with a manufacturing sector. Human capital, innovation, and household disposable income were associated with high labor productivity, whereas high old-age dependency and children-to-women ratios were associated with lower growth. These results are consistent with the macroeconomic phenomenon that economic development leads to inequality and polarization in certain regions of a country. Nonetheless, the findings are useful for decision-makers and researchers to use in benchmarking and improving regional strategies by identifying regional peers and factors that influence convergence or divergence that can be improved. The results provide insightful findings for consideration by policymakers seeking to boost labor productivity or to bridge regional gaps in productivity.
Optimizing quality and cost in remanufacturing under uncertainty
Authors: Stamer Florian , Sauer Jana
Published: November 2024

In the context of growing sustainability demands, businesses are increasingly adapting their production practices by integrating remanufacturing. However, companies often face challenges in profitably implementing remanufacturing due to complexities arising from uncertainties in processes, product quality, and market conditions. This highlights the need for effective decision support in remanufacturing processes. Addressing this challenge, our research introduces an algorithm designed to identify cost-efficient process plans that optimize order fulfillment while considering a company’s specific capabilities and inventory levels. By modeling the remanufacturing planning process as a Markov process, our algorithm comprehensively accounts for both process-related and quality-related uncertainties. This approach enables the evaluation of all Pareto optimal process plans in terms of cost efficiency and reliability. We validate our methodology through a real-world application in the automation industry, specifically focusing on the remanufacturing of variable speed drives. This case study demonstrates the practical relevance of our approach and a potential for significant cost reductions, enhanced process efficiency, and improved labor productivity. Overall, businesses gain critical insights into the financial prospects of their remanufacturing efforts, identifying opportunities for optimization and expansion into new product quality categories. This enhances their economic potential and aligns with consumer preferences for distinct product qualities.
The Taguchi approach to large-scale experimental designs: A powerful and efficient tool for advancing marketing theory and practice
Authors: Moffett Jordan W. , Fennell Patrick , Harmeling Colleen M. , Sheehan Daniel , Bleier Alexander
Published: November 2024

Current research often relies on narrowly focused experimental methods that address just a few independent variables or correlational designs, despite calls for future research to take big-picture perspectives that offer real-world applicability and causal evidence. This disparity likely reflects the constraints imposed by the need for extensive resources to conduct broad, causal examinations. To bridge this gap, the current article presents the Taguchi approach to large-scale experimental design, which remains notably underutilized in marketing research despite being well-established in other fields. Its effectiveness stems from the robust catalog of experimental design rubrics that can incorporate many different independent variables systematically and efficiently. The causal and efficient experimental option for broad scopes of investigation embraces the embeddedness of independent variables and thus can help build marketing theory and advance practice. This article details the fundamentals of the Taguchi approach, its relative advantages, and a three-step implementation process.
Enhanced color density from high-viscosity inkjet inks
Authors: Phillips Chris , Claypole Andrew , Clifford Ben , Deganello Davide
Published: November 2024

Inkjet printing inks are typically limited to low viscosities, employing highly dilute inks with low pigment loading compared with inks for other printing processes. This reduces color intensity, limits productivity, and requires higher drying energy. This study compares standard-viscosity graphic inkjet inks (~13 mPa.s shear viscosity) with higher-viscosity inkjet inks (~60 mPa.s), traditionally considered outside the normal jetting range, for print outcomes on corrugated cardboard with both white coated and brown uncoated liners. Higher-viscosity inks imparted greater color density to the print; this was assessed as being due to both the inherently higher viscosity of the ink reducing penetration into the substrate and the higher pigment loading capable of being contained within these inks. While standard-viscosity inks tended to plateau in color intensity as ink coverage was increased, higher-viscosity inks could increase in intensity throughout the entire coverage range on coated white liner. This effect was dependent on the substrate, with the coated white liner exhibiting up to a 67% increase in maximum color density but the uncoated brown liner showing up to a 13% increase. It is envisaged that wider adoption of higher-viscosity inks can increase both color intensity and printing speed, thus making inkjet more competitive with conventional printing processes.
Sex Differences in Blood Accumulation of Neurodegenerative-Related Proteins and Antioxidant Responses to Regular Physical Exercise
Authors: Chelucci Elisa , Scarfò Giorgia , Piccarducci Rebecca , Rizza Antonio , Fusi Jonathan , Epifani Francesco , Carpi Sara , Polini Beatrice , Betti Laura , Costa Barbara , Taliani Sabrina , Cela Vito , Artini Paolo , Daniele Simona , Martini Claudia , Franzoni Ferdinando
Published: November 2024

Physical activity has been demonstrated to improve cognitive function, thereby preventing/slowing neurodegenerative diseases (NDs). Biological responses to physical activity and vulnerabilities to NDs are emerging to be gender-related. Herein, known ND-associated markers (β-amyloid, tau, α-synuclein), main sex steroid hormones, antioxidant responses, and key gene transcription modulators were evaluated in the blood of physically active and sedentary women and men. In our hands, females presented higher basal erythrocytes β-amyloid and α-synuclein amounts than males. Regular physical activity was able to significantly reduce the erythrocyte content of β-amyloid in females and the tau levels in males, suggesting that these differences may be mediated by organizational actions of sex steroid hormones during development. Furthermore, despite a comparable plasma antioxidant capability (AOC) between males and females, in the latter group, physical activity significantly enhances AOC versus peroxynitrite radicals only. Finally, regular physical activity modulated the levels of transcription factor Nrf2 in erythrocytes, as well as the plasma concentration of the microRNA miR-195 and miR-153, suggesting the promotion of antioxidant/autophagic processes associated with ND-related proteins. Overall, these results could shed light on how cerebral adaptations to physical activity differ between males and females, especially with regard to blood accumulation of ND proteins and mechanisms of antioxidant responses to regular exercise.
Non-native plants invasions public parks, friends or foe?
Authors: Slima Dalia F. , Ahmed Dalia A. , Arief Omnia M.
Published: November 2024

Non-native plants (NNPs) are known as alien species, which are brought outside of their natural habitats due to human activity and have an impact on the biodiversity of native plants (NPs). Because parks serve as havens for NNPs, they may pose a threat to them. The present study documented the NNPs conserved in the parks distributed in Cairo and the new settlements surrounding it. Thirty field visits were conducted from spring 2022 to Spring 2023 in 19 parks distributed in the study area. In each park NNPs were recorded. Native range, natural habitats and national geographical distribution, ethnobotanical uses, threats, and human risks were determined for NNPs. The results indicated that 37 wild NNPs belonged to 18 families were recorded in the surveyed gardens. Six species belonged to Tropical America, and other six species belonged to Mediterranean region. All recorded species were distributed in the Nile region. Thirty-six species used as medicinal plants and 31 species for human food. All recorded NNPs were exposed to one or several types of threats in their natural habitats, while 10 species were found to have a toxic effect on humans. Our results showed that the Egyptian botanic and public gardens could play an important role in the future as a source of NNPs that could be used for their contributions to ecosystem functioning and services. Also provides evidence for the essential role of public gardens in the Egyptian Nile Region for plant diversity conservation, as helps conserve wild species from other geographical regions.