bluuebunny/crossref_metadata_2025 huggingface dataset:
Cooperative, Close and Remote Steric Effects on the Structural and Optical Properties of Copper(I) Bis‐Phenanthroline Complexes
Authors: Appleton Jordan L. , Ballerini Lavinia , Choua Sylvie , Gourlaouen Christophe , Ruppert Romain , Mauro Matteo
Published: June 2024

The synthesis as well as the structural, optical and computational characterization of seven new highly hindered homoleptic copper(I) phenanthroline complexes (namely C1–C7) is reported along with the comparison with the benchmark derivatives. Despite limited steric hindrance in direct proximity of the copper(I) coordination site, X‐ray structures show that the higher hindered derivatives of the series display a more optimal tetrahedral geometry with minimal D2 symmetry distortion. A novel remote control of the geometry, with steric hindrance away from the coordination site, leads to a favorable arrangement as demonstrated by structural and computational data. In addition, electrochemical and steady‐state and time‐resolved photophysical studies are presented which further support the beneficial effects on the ground‐state redox and excited‐state properties when both remote and close steric effects are exploited. Indeed, both an increase of the photoluminescence quantum yield and a prolongation of the excited state lifetime is observed for the highly‐substituted derivative C6 compared to benchmark counterparts on account of the reduced excited‐state flattening distortions imparted by the additional steric constraints.
Magnetically Reusable Fe3O4‐CuO Nanoparticles as Catalyst for the Synthesis of Aryl‐Substituted Fluorescent Pyrazines for Fe Sensing and Ink Applications
Authors: Das Dibya , Mohanta Tanmayee , Kumar Jena Ashis
Published: June 2024

The synthesis of substituted pyrazines from readily available methyl aryl/heteroaryl ketones and 1,2‐diamines was achieved using highly stable and reusable ferrite‐stabilized copper nanoparticles (Fe3O4‐CuO) as a catalyst. The reaction proceeds through a cascade imine formation–oxidative cyclization method under an oxygen atmosphere. The nanocatalysts were readily recovered and reused up to three consecutive cycles without any significant decrease in particle size, catalytic activity and reaction yield, as evidenced by analytical techniques such as transmission electron microscopy (TEM) and powder X‐ray diffraction (PXRD). The synthesized pyrazines exhibited photophysical behaviour, displayed large Stokes shifts, and were explored as fluorescent probes for the sensitive as well as selective “turn‐off” detection of iron with a limit of detection of 0.63 μM. The sensing method is also useful for the quantification of iron in spiked water samples. Furthermore, the application of luminescent pyrazines as fluorescent ink was successfully demonstrated.
In DFT We Trust: Exhaustive Exploration of 1,3‐Dipolar Cycloadditions Between Nitrones and Levoglucosenone Exposes a Curious Case of Conformational Dynamics
Authors: Cicetti Soledad , Spanevello Rolando A. , Sarotti Ariel M.
Published: June 2024

An experimental and computational study (including DFT calculations and distortion/interaction analysis) was conducted to assess the effect of the nitrone structure in the outcome of dipolar 1,3‐cycloadditions with levoglucosenone, a biomass derived chiral enone. While B3LYP/6‐31G* (the most popular method for modeling these reactions according to our literature search) provides qualitatively good results, large outliers were found for some systems versus experimental data. An exhaustive exploration of other levels allowed us to determine the most appropriate ones to predict simultaneously reactivity and selectivity. The systematically predicted high exo selectivity by the majority of the levels led us to reconsider our initial assignment for the reaction with the nitrone derived from piperidine, which resulted in the discovery of an interesting case of conformational dynamics.
Iron(ΙΙΙ) Catalyzed Aerobic Cα−Cβ Cleavage of Allylic Alcohols
Authors: Bagkavou Georgia G. , Stathakis Christos I.
Published: June 2024

The regiospecific Cα−Cβ cleavage of allylic alcohols under modified aerobic Mukaiyama hydration conditions is presented. The new methodology can be regarded as an equivalent of a two‐step process, a typical hydration of the parent allylic alcohol followed by a 1,2‐diol cleavage. A broad scope of substrates, both cyclic and acyclic, are applicable, thus introducing substantial structural modification to the core, especially of the former type of substrates. Mechanistic investigation of the reaction reveals the importance of the nearby hydroxyl group for the deviation from the typical Mukaiyama hydration pathway.
Enhanced energy density of high entropy alloy (Fe‐Co‐Ni‐Cu‐Mn) and green graphene hybrid supercapacitor
Authors: Mohanty Gobinda Chandra , Chowde Gowda Chinmayee , Gakhad Pooja , Verma Anu , Das Shubhasikha , Chowdhary Shamik , Bhattacharya Jayanta , K Singh Abhishek , Biswas Koushik , Tiwary Chandra Sekhar
Published: June 2024

Given the growing demand for new materials for supercapacitor applications, high entropy alloys (HEAs) are being extensively investigated. They are an efficient alternative to existing energy sources due to their synergistic contribution from individual element. We demonstrate the development of nanostructured HEA (FeCoNiCuMn) as a cathode material with specific capacitance (Cs) of ~388 F g−1 (5 mV s−1). As anode material, green graphene (rice straw biochar) synthesized using pyrolysis shows a maximum Cs of ~560 F g−1 at similar scan rate (5 mV s−1). A hybrid asymmetric liquid state device was assembled using the FeCoNiCuMn nanostructured HEA and green graphene as electrodes. Utilizing the green source, the device provided a high Cs of 83.22 F g−1 at 2 A g−1. The specific energy of the device was 33.4 Wh kg−1 and specific power of 1.7 kW kg−1. The electrochemical behavior of each element in the high entropy composition was studied through post X‐ray photoelectron spectroscopy and scanning electron microscopic analysis. The chemical behavior of FeCoNiCuMn is further investigated using DFT studies. The enhanced electrochemical properties and synergistic contribution of each element of the HEA is studied via d‐band theory. The current study can be utilized to develop asymmetric hybrid supercapacitors as environmental friendly energy source.
Modelling the fire resistance of cross‐laminated timber rib panels
Authors: Kleinhenz Miriam , Palma Pedro , Just Alar , Frangi Andrea
Published: June 2024

A cross‐laminated timber rib panel is a floor system comprising cross‐laminated timber plates rigidly bonded to glued‐laminated timber ‘rib’ beams. A design method was developed to estimate the fire resistance of cross‐laminated timber rib panels, based on a bending load‐carrying model. The bending load‐carrying model calculates the bending load‐carrying capacity of cross‐laminated timber rib panels based on simulated temperature distributions of numerical models. The numerical models were validated against the experimental results of full‐scale fire resistance tests. The proposed design method is based on the overall approach of the current revised draft of EN 1995‐1‐2:2004, that is, prEN 1995‐1‐2:2023, and provides conservative estimates of the bending load‐carrying capacity. The effective width is one of the most important design parameters and its influence was studied in detail. A limit value of 60% of the effective width according to prEN 1995‐1‐1:2023 is proposed as effective width in fire.
Hepatoprotective effects of Juglans regia on carbon tetrachloride‐induced hepatotoxicity: In silico/in vivo approach
Authors: Pandey Bipindra , Thapa Shankar , Kaundinnyayana Atisammodavardhana , Panta Sushil
Published: June 2024

Juglans regia L. is a well‐known therapeutic plant in Nepal, employed in traditional medicine for treating liver ailments. This study aimed to evaluate the in vivo and in silico liver‐protective effects of J. regia extract using a carbon tetrachloride (CCl4)‐induced hepatic damage rat model. Healthy male rats were randomly divided into six groups: normal control (distilled water 10 mL/kg), toxic control (distilled water 10 mL/kg), standard test (silymarin 100 mg/kg), and three groups receiving oral J. regia extracts (125, 250, and 500 mg/kg/day) for seven days. On the eighth day, carbon tetrachloride (CCl4) was administered intraperitoneally (i.p.) (1.5 mL/kg in 1:1 olive oil ratio for all groups, except the normal control). Rats were sacrificed on the ninth day, and blood was collected retro‐orbitally for liver blood injury tests and histopathological studies. Molecular docking was performed against cytochrome P450 2E1 (CYP450 2E1) enzyme for 16 selected phytoconstituents. J. regia, at doses of 125, 250, and 500 mg/kg, significantly reduced liver enzyme levels (alanine aminotransferase, alkaline phosphatase, direct bilirubin, and total bilirubin), while increasing serum albumin. Histological analysis revealed mitigation of carbon tetrachloride (CCl4)‐induced liver injury, reducing fatty degeneration and necrosis. Molecular docking supported the findings, with Beta‐sitosterol and Betulinic acid exhibiting the best binding affinity of −9.2 and −9.1 kcal/mol, respectively. In conclusion, result suggests that J. regia showed dose‐dependent hepatoprotective activity in CCl4‐induced hepatotoxicity and it could be utilized as a promising hepatoprotective agent. This study suggests the hepatoprotective potential of J. regia bark extracts, emphasizing the need for further clinical validation.
The Relation between Nature and Stability of H2‐Dissociating Sites and Propene Selectivity in Silica‐Supported (Ga,Al)2O3 Mixed Oxide Propane Dehydrogenation Catalysts
Authors: Castro‐Fernández Pedro , Serykh Alexander I. , Yarar Melis , Mance Deni , Abdala Paula M. , Copéret Christophe , Fedorov Alexey , Müller Christoph R.
Published: June 2024

Colloidal solutions of gallia‐alumina (Ga,Al)2O3(x:y) solid‐solution nanoparticles with nominal atomic Ga : Al (x:y) ratios of 1 : 6, 1 : 3, 3 : 1, and 1:0 were used to prepare silica‐supported catalysts for propane dehydrogenation (PDH). A comparison of the unsupported and silica‐supported catalysts reveals that the dispersion on silica increases the Ga‐normalized PDH rates for all catalysts, albeit with a notably lower propene selectivity for (Ga,Al)2O3(1:6)/SiO2. Fourier transform infrared (FTIR) spectroscopy allows contrasting the H2 dissociation sites in the calcined and H2‐treated (Ga,Al)2O3(x:y)/SiO2, indicating a transformation of Ga3+ surface sites with Al (mainly) and Ga atoms in the second coordination sphere (Ga(Al/Ga) sites) in the calcined (Ga,Al)2O3(1:6)/SiO2 to predominantly Ga(Ga/Si) surface sites in the H2‐treated material. The resulting sites are similarly unselective as in amorphous gallia on silica. H2 produced during the PDH reaction can cause a similar transformation as H2 pretreatment in (Ga,Al)2O3(1:6)/SiO2, rapidly resulting in a notably lowered selectivity. The stable and selective Ga(Al/Ga) surface sites in (Ga,Al)2O3(1:3)/SiO2 yield a Ga−H band at ca. 1990 cm−1 under H2 dissociation conditions while the less selective surface sites, observed for the other Ga : Al ratios, give Ga−H bands at ca. 2040 and 2060 cm−1.
Case‐study: A wicked way to address family violence in a regional setting in Western Australia
Authors: Waters Dane , Larkins Celeste , Black Kate
Published: June 2024

Issue addressed

Communication tools have long been used to address complex social policy problems, known as wicked problems, in communities around the world. However, the challenge has remained, how do we measure the impact of social change with communication for development (C4D)? Evaluators recommend utilising evaluation tools that take a wider systems‐based approach to assist in the evaluation of C4D projects. Health Communication Resources (HCR) Inc., a health promotion charity that supports C4D projects around the world, aimed to trial a tool to assist evaluation of a project addressing gender inequality, an underlying driver of family violence in the community.

Methods

WickedLab's tool for systemic change was utilised to assist the evaluation of the complex adaptive system. The research team mapped the system that existed in Geraldton working towards addressing the wicked problem of gender inequality.

Results

Mapping the system highlighted how integral C4D actions were in maintaining and strengthening the system as it works together towards gender equality in the community.

Conclusion

A systems‐based approach can strengthen evaluation and demonstrates the role C4D projects play in addressing wicked problems in a defined location.

So What?

WickedLab's tool for systemic change provides significant potential for the evaluation of other health promotion and communication for development projects.
Identification of fraudulent financial statements through a multi‐label classification approach
Authors: Tragouda Maria , Doumpos Michalis , Zopounidis Constantin
Published: June 2024

Although the financial audit controls in companies have advanced over the years, the number of corporate fraud instances is growing, thus raising the need for investigating the factors that can be used as early warning signals and developing effective systems for identifying financial fraud. In this paper, financial statements from 133 Greek companies listed in the Athens Stock Exchange over the period 2014 to 2019 are investigated, based on the fraud diamond theory. Financial data and corporate governance variables are used as inputs to data mining techniques to develop models that can identify patterns of irregularities in a company's financial reports. To this end, popular machine learning classification algorithms are employed in a novel multi‐label classification setting that not only identifies fraudulent cases but also considers the nature of the auditors' comments. The results indicate that the proposed multi‐label approach provides enhanced results compared to binary classification algorithms, avoiding inconsistent outputs with respect to the existence of different forms of manipulation of financial statements.
Three‐dimensional morphological characterization of blood droplets during the dynamic coagulation process
Authors: Li Yao , Li Wangbiao , Zhang Xiaoman , Lin Hui , Li Dezi , Li Zhifang
Published: June 2024

In this study, we employed a method integrating optical coherence tomography (OCT) with the U‐Net and Visual Geometry Group (VGG)‐Net frameworks within a convolutional neural network for quantitative characterization of the three dimensional whole blood during the dynamic coagulation process. VGG‐Net architecture for the identification of blood droplets across three distinct coagulation stages including drop, gelation, and coagulation achieves an accuracy of up to 99%. In addition, the U‐Net architecture demonstrated proficiency in effectively segmenting uncoagulated and coagulated portions of whole blood, as well as the background. Notably, parameters such as volume of uncoagulated and coagulated segments of the whole blood were successfully employed for the precise quantification of the coagulation process, which indicates well for the potential of future clinical diagnostics and analyses.
How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules
Authors: Chaquin Patrick , Fuster Franck , Markovits Alexis
Published: June 2024

Observational data show complex organic molecules in the interstellar medium (ISM). Hydrogenation of small unsaturated carbon double bond could be one way for molecular complexification. It is important to understand how such reactivity occurs in the very cold and low‐pressure ISM. Yet, there is water ice in the ISM, either as grain or as mantle around grains. Therefore, the addition of atomic hydrogen on double‐bonded carbon in a series of seven molecules have been studied and it was found that water catalyzes this reaction. The origin of the catalysis is a weak charge transfer between the π MO of the unsaturated molecule and H atom, allowing a stabilizing interaction with H2O. This mechanism is rationalized using the non‐covalent interaction and the quantum theory of atoms in molecules approaches.
Novel Germline KIT Variants in Families With Severe Piebaldism: Case Series and Literature Review
Authors: Zhang Yuanyuan , Gao Haiming , Zhang Lu , Zhao Yunjing , Qiu Chuang , Liu Xiaoliang
Published: June 2024

Introduction

Piebaldism is a rare autosomal dominant disorder characterized by congenital white forelock and depigmented patches, which is most commonly caused by deleterious variants in the KIT gene.

Methods

Four KIT variants were identified in a piebaldism case series by whole‐exome sequencing. Functional experiments, including in vitro minigene reporter assay and enzyme‐linked immunosorbent assay, were carried out to elucidate the pathogenicity of the variants. The genotype–phenotype correlation was summarized through extensive literature reviewing.

Results

All the four cases had severe piebaldism presented with typical white forelock and diffuse depigmentation on the ventral trunk and limbs. Four germline variants at the tyrosine kinase (TK) domains of the KIT gene were identified: two novel variants c.1990+1G>A (p.Pro627_Gly664delinsArg) and c.2716T>C (p.Cys906Arg), and two known variants c.1879+1G>A (p.Gly592_Pro627delinsAla) and c.1747G>A (p.Glu583Lys). Both splicing variants caused exon skipping and inframe deletions in the TK1 domain. The missense variants resided at the TK1 and TK2 domains respectively impairing PI3K/AKT and MAPK/ERK signaling pathways, the downstream of KIT. All severe cases were associated with variants in the TK domains, eliciting a major dominant‐negative mechanism of the disease.

Conclusion

Our data expand the mutation spectrum of KIT, emphasized by a dominant‐negative effect of variants in the critical TK domains in severe cases. We also share the experience of prenatal diagnosis and informed reproductive choices for the affected families.
An innovative method to identify structural change through ion‐molecule collision, making use of Time‐Of‐Flight measurements and SIMION simulations
Authors: Solem Nicolas , Romanzin Claire , Alcaraz Christian , Thissen Roland
Published: June 2024

Structural change of ions induced by collision with a neutral has been studied in a guided ion beam tandem mass spectrometer, using Time‐Of‐Flight measurements and SIMION simulation. The exothermic catalytic isomerization of HOC+ to HCO+ is used to explore the new methodology. Isomerization is catalyzed via a proton transport mechanism through the interplay of a neutral molecule, the catalyst. Four different potential catalysts, Ne, D2, CH4, and C18O, were studied at different collision energies. SIMION simulation of the ion path and collision in the instrument leads to the highlight of a specific signature related to the catalytic isomerization in the time‐of‐flight spectra. This signature is used to identify the experimental conditions where isomerization takes place. Only C18O, at low collision energies, gives a clear signature of catalytic isomerization, and a quantitative estimate of the catalyzed isomerization cross‐section and rate constant is derived. This new methodology is sensitive to clear presence of catalyzed isomerization and can be used in instruments designed for cross‐section measurements, provided low collision energy is used and ion bunching is available.
Nonpossessive caring during the two pandemics
Authors: Field Thomas A.
Published: June 2024

In this manuscript, a new theoretical model is applied to analyze the effects of the early 2020s’ dual pandemics: the coronavirus and anti‐Black racial violence pandemics. Grounded in humanistic–existential principles, the nonpossessive caring model emphasizes relational structures, relational caring, and relational nonpossession. The model is applied to the coronavirus pandemic's challenges, such as balancing disease mitigation and the interpersonal control. Through the lens of relational structures, the anti‐Black racial violence pandemic is analyzed, examining privilege and oppression's role in shaping police–community dynamics. Nonpossessive caring principles are relevant in policing, supporting Black community members’ experiences, fostering police cultures of directed attention, cultivating curiosity, and valuing community input. This manuscript contributes to existential and humanistic counseling by addressing autonomy and responsibility tensions, offering guidance on existential responsibility amid mandates, and emphasizing marginalized communities’ subjective experiences.
Advances in blood biomarkers for Alzheimer disease (AD): A review
Authors: Assfaw Araya Dimtsu , Schindler Suzanne E , Morris John C
Published: June 2024

Alzheimer disease (AD) and Alzheimer Disease and Related Dementias (AD/ADRD) are growing public health challenges globally affecting millions of older adults, necessitating concerted efforts to advance our understanding and management of these conditions. AD is a progressive neurodegenerative disorder characterized pathologically by amyloid plaques and tau neurofibrillary tangles that are the primary cause of dementia in older individuals. Early and accurate diagnosis of AD dementia is crucial for effective intervention and treatment but has proven challenging to accomplish. Although testing for AD brain pathology with cerebrospinal fluid (CSF) or positron emission tomography (PET) has been available for over 2 decades, most patients never underwent this testing because of inaccessibility, high out‐of‐pocket costs, perceived risks, and the lack of AD‐specific treatments. However, in recent years, rapid progress has been made in developing blood biomarkers for AD/ADRD. Consequently, blood biomarkers have emerged as promising tools for non‐invasive and cost‐effective diagnosis, prognosis, and monitoring of AD progression. This review presents the evolving landscape of blood biomarkers in AD/ADRD and explores their potential applications in clinical practice for early detection, prognosis, and therapeutic interventions. It covers recent advances in blood biomarkers, including amyloid beta (Aβ) peptides, tau protein, neurofilament light chain (NfL), and glial fibrillary acidic protein (GFAP). It also discusses their diagnostic and prognostic utility while addressing associated challenges and limitations. Future research directions in this rapidly evolving field are also proposed.
Study of effects of rare earth elements on the corrosion behavior of weathering steels under a simulated immersion environment and a real atmospheric environment
Authors: Fan Zengwei , Xi Zhong , Liu Tengshi , Lian Xintong , Wei Xicheng , Dong Han
Published: June 2024

The effects of rare earth elements (REEs) on the corrosion behavior of weathering steels under a simulated immersion environment and a real atmospheric environment have been investigated in this paper. Although the corrosion rate of the indoor accelerated corrosion experiment (0.01 mol/L NaHSO3) is much higher than that of the real atmospheric exposure experiment, the addition of REEs can highly improve the corrosion resistance of test steels under both conditions. The improvement of the corrosion resistance can be attributed to the quick transformation of γ‐FeOOH into α‐FeOOH and the accelerated formation of a stable rust layer by REEs. Furthermore, the segregation of the REE inner rust layer increases the density of the rust layer and prevents corrosive particles from eroding the matrix. REEs can also promote the segregation of Cu, Cr, and other alloying elements in the rust layer, thus blocking the cracks and holes and enabling the formation of a continuous rust layer with good adhesion.
Crafting conceptual proposition‐based contributions: The 7C framework
Authors: Hollebeek Linda D. , Srivastava Rajendra K. , Clark Moira K. , Urbonavicius Sigitas , Lim Weng Marc
Published: June 2024

The declining number of conceptual articles, particularly in psychology and marketing (P&M), represents a key concern for the continued advancement of the body of knowledge. Proposition‐based works, a key conceptual article subtype, offer theoretical propositions that introduce new concepts and theorize regarding their specific theoretical associations. However, relatively few guidelines for the preparation of these articles exist, leaving scholars in the dark regarding their development. Addressing this gap, we propose a framework summarizing the development of proposition‐based research, offering a step‐by‐step guide to craft these contributions. The framework identifies the (1) key role of topic (e.g., a focal P&M concept) problematization and motivation, which may be an existing but under‐explored or a new‐to‐P&M topic, and (2) application of a broader (e.g., meso‐ or macro‐foundational) theory to frame the topic, which should exhibit a level of fit with one another. The framework also suggests that the chosen topic and theory co‐infuse the development of the model and propositions, for which we provide relevant guidelines. We link this theoretical co‐infusion process to prior intra‐proposition recommendations (i.e., propositional clarity, consistency, conciseness, and contribution), which are supplemented with the proposed inter‐proposition guidelines of propositional conceptual distinctiveness, comprehensiveness, and coherence.
Navigating green horizons: An empirical exploration of business practices aligned with environmental goals in the era of sustainable economy
Authors: Peng Bo
Published: June 2024

In modern business operations, ensuring that business strategies are in harmony with environmental goals has emerged as a pivotal consideration. More and more companies are realizing the significance of integrating environmentally friendly methods into their activities. This boosts their performance and adds value for stakeholders in an economy focused on sustainability. This quantitative research explores the alignment of business practices with environmental goals in the context of green finance (GF) and corporate strategy for enhanced performance and stakeholder value within a sustainable economy. Utilizing a structured online questionnaire, data was collected from 420 entrepreneurs through a stratified random sampling method, ensuring diverse representation. The subsequent analysis using SPSS software yielded robust statistical insights into the intricate relationships between variables. The findings support six hypotheses, indicating that strategic integration of GF positively influences financial performance, enhances resilience, positively affects stakeholder satisfaction, fosters innovation, leads to cost efficiency, and facilitates long‐term sustainable growth. Investigating how GF‐driven practices lead to cost efficiency and enhance operational effectiveness brings forth practical implications for organizations seeking financial savings through sustainable practices. This aspect introduces a novel perspective on the financial benefits of green initiatives. These results contribute as empirical evidence to the field of GF, offering practical insights for businesses, policymakers, and researchers seeking to align strategies with environmental goals for sustainable and responsible corporate practices.
Reconstruction techniques using free jejunal transfer for total pharyngolaryngectomy with total glossectomy
Authors: Hidaka Takeaki , Miyamoto Shimpei , Oba Jun , Furuse Kiichi , Oshima Azusa , Matsuura Kazuto , Higashino Takuya
Published: June 2024

Background

Total pharyngolaryngectomy is sometimes combined with total glossectomy for advanced hypopharyngeal or cervical esophageal cancers involving the tongue base. The optimal reconstruction method for total pharyngolaryngectomy with total glossectomy has not been established due to a considerable diameter mismatch between the floor of mouth and the esophageal stump. This report describes two reconstruction methods using free jejunal transfer.

Methods

Five consecutive patients who underwent total pharyngolaryngectomy with total glossectomy were included, with a mean age of 67.0 (range 55–75) years. Primary tumors included tongue, hypopharyngeal, cervical esophagus, and laryngeal cancers. The mean defect size was 17.0 (16–19) × 6.8 (6–7) cm. Surgical techniques involved either a simple incision or a two‐segment method to address the size mismatch between the jejunum and the floor of mouth. In the simple incision method, a longitudinal cut was made to the antimesenteric or paramesenteric border of a jejunum wall to expand the orifice. In the two‐segment method, a jejunal graft was separated into two segments to reconstruct the floor of mouth and the cervical esophagus, and these segments were connected with a longitudinal incision to the cervical esophageal segment to form a funnel‐shaped conduit.

Results

Of the five patients, three underwent the simple incision method and two the two‐segment method. Postoperative pharyngoesophagography showed a smooth passage for all patients. Postoperative courses were uneventful except for one flap loss due to arterial thrombosis. Four patients achieved oral feeding, while one became gastric‐tube dependent. At a mean follow‐up of 22.1 (4–39) months, one patient required tube feeding, two tolerated full liquid, and two consumed a soft diet.

Conclusions

Both the simple incision and two‐segment methods achieved satisfactory swallowing function. The choice between these reconstruction methods may depend on the extent of resection of the posterior pharyngeal wall.
Seventeen years since rimonabant's downfall: reassessing its suicidality risk profile
Authors: Cohen Yuval , Kolodziej Andrew , Morningstar Marshall
Published: June 2024

Targeting the cannabinoid type 1 receptor (CB1) is a clinically validated antiobesity therapeutic approach. The only such drug approved, rimonabant, was launched in 2006 in Europe but subsequently rejected by the US Food and Drug Administration (FDA) in 2007. The FDA cited the increased risk of suicidality in its opposition to rimonabant's approval, leading to the drug's eventual worldwide withdrawal and the abandonment of this class of therapeutics. Seventeen years later, a new class of CB1‐targeting drugs is emerging, but the impact of the 2007 FDA decision remains a formidable obstacle to its clinical development. We revisit the suicidality data presented by the FDA in light of the evolution of suicidality assessment and cross‐reference this with the data in the subsequently published clinical trials. We conclude that the publicly available data do not support the FDA's conclusion that the use of rimonabant was associated with an increase in the risk of suicidality.
Thermal stability and decomposition kinetics of polybenzoxazine and oligomeric polyhedral octaphenyl silsesquioxane nanocomposites
Authors: Faghihi Jalal , Azar Ahmad Aref , Khonakdar Hossein Ali , Tohidian Mahdi
Published: June 2024

In this study, the impact of octaphenyl polyhedral oligomeric silsesquioxane (POSS) on the thermal stability of polybenzoxazine resin at 1, 3, and 5 wt% POSS loading through dynamic thermogravimetric analysis (TGA) at heating rates of 10, 20, 30 and 40°C min−1 was investigated. Besides, the decomposition kinetics of polybenzoxazine resin (PBZ) and various nanocomposites were studied using Kissinger, Friedman, Flynn‐Wall‐Ozawa (FWO) and Coats‐Redfern (CR) models and also, the activation energies of samples were calculated. At first, benzoxazine monomer was synthesized and then nanocomposites were prepared via solution mixing method. The qualitative dispersion of nanoparticles in benzoxazine resin was examined through the utilization of scanning electron microscopy and x‐ray diffraction experiments. The results showed that the addition of nanoparticles improved the thermal stability of PBZ resin specially at 1 wt% POSS loading and at higher POSS content the thermal stability of the resin decreased. As determined by TGA, the char yield of resin was enhanced by 2.6% upon the addition of 1 wt% nanoparticles. In addition, in 1 weight percent of nanoparticles, as the heating rate rose from 10 to 40°C min−1, the Integral Program Decomposition Temperature (IPDT) has increased by about 260°C, and this increase is about 183°C compared to the resin, and also elevating the heating rate, Td (5%) and Td (10%) weight loss of samples shifted to higher temperatures. The degradation mechanism of the resin and nanocomposites was evaluated through Kissinger, Friedman, FWO and CR models. The results displayed that the addition of 1 wt% nanoparticles increased the activation energy (Ea) values of the nanocomposites compared to that of neat resin and above this filler content, the Ea values decreased. The findings derived from the FWO model indicated that the inclusion of a 1 wt% filler raised the Ea values of the first and second stages of PBZ resin decomposition from 136–200 and 151–214 kJ mol−1 to 148–210 and 180–228 kJ mol−1, respectively.
The effect of hypo‐sulfonamide accelerators on the induction period of rubber vulcanization based on experiments and molecular simulations
Authors: Liu Junying , Jiang Shuangyan , Wang Zifeng , Song Jianhui , Yong Zhanfu
Published: June 2024

Accelerators are indispensable additives in rubber vulcanization reactions. Hypo‐sulfonamide accelerators are widely used due to their fast vulcanization speed. However, the short vulcanization induction period compromises the processing safety of rubber. In this paper, we incorporated experiments with molecular simulations to investigate the underlying reasons for the different effects of various hypo‐sulfonamide accelerators The vulcanization induction period of each accelerator was investigated according to the vulcanization curves. Furthermore, the corresponding reaction mechanism was explored from the molecular scale through quantum mechanical and molecular dynamics simulations. Subsequently, the research focus was discussed in depth. The compatibility relationship between the accelerators and the rubber materials was verified through the crosslinking density test, and a coincidence between the experimental and simulation results was found. This study guides the selection and improvement of hypo‐sulfonamide accelerators and corroborates the factors influencing the vulcanization induction period of natural rubber by accelerators.

Highlights

Reactivity of accelerators calculated by quantum mechanical simulations.

Difference in solubility parameter characterizes accelerator/NR compatibility.

Mobility and diffusion coefficient reflect the diffusion ability of the promoter.

Molecular simulation results are consistent with experimental results.
Combined effects of strength and balance training versus aerobic training on balance, neuropathy symptoms and quality of life in patients with diabetic peripheral neuropathy
Authors: Haleem Farhan , Saeed Aruba , Kundi Maryam , Jalal Abdul , Bilal Muhammad , Jalal Muhammad
Published: June 2024

Background

Diabetic peripheral neuropathy (DPN) occurs in >50% of diabetic patients and is a high risk‐factor of balance problems and risk of falls. Impaired balance can lead to reduced function, which has a detrimental effect on patients' quality of life. Structured strength and balance training can result in sustained improvements in muscle strength, coordination, balance, functional status and quality of life.

Objective

To determine the combined effects of strength and balance training versus aerobic training on balance, severity of symptoms of DPN, and quality of life in patients with DPN.

Methods

This double blinded, two arm parallel design Randomized Clinical Trial. The study was conducted from March to December 2020 in the AIMS diabetic center Peshawar, Pakistan. Participants were selected through convenience sampling technique and randomly allocated into strength plus balance and aerobic training groups. Type 2 diabetic patients of both sexes, aged 40 to 80 years, with a Toronto neuropathy score ≥6 recruited, while patients with ulceration/infection of feet, medical/Surgical conditions, and non‐ambulatory patients were excluded from this study. Intervention was applied 3 days a week for 8 weeks. The Toronto clinical neuropathy system was used to assess neuropathy severity, SF‐36 to assess quality of life and the Berg balance scale was used for assessment of balance. Assessment was done at the baseline and after 8 weeks of intervention using SPSS. Version 22 was used for analysis.

Results

The mean age of the participants was 60.80 ± 9.73. Between group analysis, which showed were statistically insignificant for neuropathy severity, balance and all domains of quality of life (p‐value >0.05) except SF‐36 General Health Perception Score, with Mean ± SD of 62.50 ± 7.54 in group A versus Mean ± SD of in group B 60.00 ± 15.98 (p‐value = 0.05). Within group analysis showed statistically significant results for neuropathy severity, balance and all domains of quality of life (p‐value<0.05).

Conclusion

This study concluded that there is a statistically significant effect of structured balance and strength training and aerobic training on severity of DPN, balance and quality of life. But there was no statistically significant difference in improvement between the two intervention groups.
Impacts of rainfall and rainfall anomalies on the population dynamics of rodents in southeast Asian rice fields
Authors: Htwe Nyo Me , Sudarmaji  , Pustika Arlyna Budi , Brown Peter R , Stuart Alexander , Duque Ulysses , Singleton Grant R , Jacob Jens
Published: June 2024

BACKGROUND

The mechanisms that regulate multi‐annual population dynamics of rodent pest species of cereal crops is often unknown. Better knowledge of such aspects can aid pest management and in turn improve food security and human health. The patterns and processes of the population dynamics of Rattus argentiventer, in rice fields of Indonesia, and Rattus tanezumi, in rice fields of the Philippines were assessed in this article.

RESULTS

The meta‐analysis of trapping data over 20 years in Indonesia, and 16 years in the Philippines indicated that rodent populations in rice fields did not show a regular multi‐annual pattern. Rattus argentiventer populations in Indonesia responded to less rainfall from the current year. Rattus tanezumi populations in the Philippines responded positively to both rainfall and rainfall anomaly with a 1‐year time lag.

CONCLUSIONS

Our study of long‐term population data indicates that certain combinations of rainfall parameters could be useful to predict years when there is higher rodent abundance in rice fields. The key rodent pest species in rice fields in Indonesia (R. argentiventer) and the Philippines (R. tanezumi) differ, and the populations of each species respond differently to rainfall anomalies. Other factors such as crop cover and water availability may also be important and should be considered in future work. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Effects of different natural products in patients with non‐alcoholic fatty liver disease—A network meta‐analysis of randomized controlled trials
Authors: Liu Hongshuai , Li Yufei , Jin Yan , Li Xin , Wang Dongxian , Yu Xiaowen , Jiang Zhenyuan , Yin Guoliang , Chen Suwen , Zhang Xin , Meng Decheng , Yu Wenfei , Jiang Wenyin , Zhang Fengxia
Published: June 2024

Due to a scarcity of appropriate therapeutic approaches capable of ameliorating or eliminating non‐alcoholic fatty liver disease (NAFLD), many researchers have come to focus on natural products based on traditional medicine that can be utilized to successfully treat NAFLD. In this study, we aimed to evaluate the effects exerted by seven natural products (curcumin, silymarin, resveratrol, artichoke leaf extract, berberine, catechins, and naringenin) on patients with NAFLD. For this purpose, PubMed, Embase, Cochrane Library, and Web of Science, were searched for randomized controlled trials (RCTs) exclusively. The selected studies were evaluated for methodological quality via the Cochrane bias risk assessment tool, and data analysis software was used to analyze the data accordingly. The RCTs from the earliest available date until September 2022 were collected. This process resulted in 37 RCTs with a total sample size of 2509 patients being included. The results of the network meta‐analysis showed that artichoke leaf extract confers a relative advantage in reducing the aspartate aminotransferase (AST) levels (SUCRA: 99.1%), alanine aminotransferase (ALT) levels (SUCRA: 88.2%) and low‐density lipoprotein cholesterol (LDL‐C) levels (SUCRA: 88.9%). Naringenin conferred an advantage in reducing triglyceride (TG) levels (SUCRA: 97.3%), total cholesterol (TC) levels (SUCRA: 73.9%), and improving high‐density lipoprotein cholesterol (HDL‐C) levels (SUCRA: 74.9%). High‐density catechins significantly reduced body mass index (BMI) levels (SUCRA: 98.5%) compared with the placebo. The Ranking Plot of the Network indicated that artichoke leaf extract and naringenin performed better than the other natural products in facilitating patient recovery. Therefore, we propose that artichoke leaf extract and naringenin may exert a better therapeutic effect on NAFLD. This study may help guide clinicians and lead to further detailed studies.
Development of a quantum cascade laser absorption spectrometer for simultaneous measurement of 13C–18O and 18O–18O clumping in CO2
Authors: Wieman Scott T. , Kapit Jason , Michel Anna P. M. , Guo Weifu
Published: June 2024

Rationale

Dual clumped isotope paleothermometry determines carbonate formation temperatures by measuring the frequency of 13C–18O (∆638) and 18O–18O (∆828) pairs in carbonates. It resolves isotopic kinetic biases and thus enables more accurate paleotemperature reconstructions. However, high‐precision measurements of 18O–18O clumping using current techniques requires large sample sizes and long acquisition times.

Methods

We developed a mid‐infrared isotope ratio laser spectrometer (IRLS) for simultaneous measurement of the isotopologue ratios ∆638 and ∆828 in gas‐phase carbon dioxide (CO2) at room temperature. Our IRLS uses a single laser scanning from 2290.7 to 2291.1 cm−1 and a 31 m pathlength optical cell, and it simultaneously measures the five isotopologues required for calculating ∆638 and ∆828: 16O12C16O, 16O13C16O, 16O12C18O, 16O13C18O, and 18O12C18O. In addition, our IRLS can measure 16O12C17O, enabling ∆17O analysis.

Results

At ~20°C and a CO2 pressure of ~2 Torr, our IRLS system achieved precisions of 0.128‰ and 0.140‰ within 20 s for abundances of the clumped isotopologues 16O13C18O and 18O12C18O, respectively, and precisions of 0.267‰, 0.245‰, and 0.128‰ for 16O12C16O, 16O13C16O, and 16O12C18O. This yielded precisions of 0.348‰ (∆638) and 0.302‰ (∆828) within 25 s. Simulated sample–reference switching highlights the potential of our system and the need for further development.

Conclusions

We demonstrated simultaneous measurements of ∆638 and ∆828 in CO2 to precisions of <0.35‰ within 25 s using a room‐temperature, single‐laser IRLS. Future developments on better resolving 16O12C16O and 16O13C16O peaks and system temperature control could further improve the measurement precision.
Data‐independent acquisition combined with liquid chromatography mass spectrometry technique to detect prognostic protein markers in type I gastric neuroendocrine neoplasm
Authors: Zhang Meng , Zheng Xiuli , Wang Chunyan , Li Shengmian
Published: June 2024

Rationale

This study used proteomics‐based data‐independent acquisition (DIA) technology with the aim of screening for differential expression proteins in type I gastric neuroendocrine neoplasm (g‐NEN).

Methods

Differential expression proteins in type I g‐NEN and peritumoral tissues were screened using DIA with liquid chromatography/tandem mass spectrometry (DIA‐LC/MS/MS). The identified proteins were then functionally analysed using bioinformatics methods. We selected the three most highly expressed proteins, combined with patients' clinical data, for prognostic analysis.

Results

Compared with peritumoral tissues, 224 proteins were up‐regulated, and 70 were down‐regulated. The most significantly enriched biological processes and pathways were vacuolar proton‐transporting V‐type ATPase complex assembly and metabolism‐related pathways. PCSK1, FBXO2, ACSL1, IRS2, and PTPRZ1 expression was markedly up‐regulated in type I g‐NENs. High IRS2 expression significantly correlated with a shorter time to recurrence.

Conclusions

Our study provides a comprehensive proteomic signature based on DIA‐LC/MS/MS and highlights high IRS2 expression as a potential prognostic marker for type I gNENs.
Dreaming of disability‐as‐possibility as a humanistic STEM education futurity
Authors: Boda Phillip A.
Published: June 2024

I Dream with and through a positionality that lacks critical theorizing in Science, Technology, Engineering, and Mathematics (STEM) education research: Students labeled with disabilities; Disability beyond students’ accommodations. Understanding this marginalized population can push humanistic STEM scholarship to disrupt ableism by design, thereby honoring students’ voices, identities, and Dreams as knowledge‐building sources. Engaging purposefully along such a proactive centering of these margins pushes STEM researchers to think beyond past challenges and break away from the free‐market value commoditizations of education. I urge we Dream future possibilities of humanistic STEM education where researchers, teachers, and students are aligned to build new cultures of joy and feelings of relational belonging. In this way I seek to nurture the brilliance of students who are historically marginalized, including Disabled people, because of a desire to define their studenthood on their own terms. I argue that STEM education researchers working toward “what if” leveraging intersectionality as a way to critically theorize design can do more than change disciplinary practices: We can help students to Dream beyond “what is.”
Preparation of a Co3O4/Bi2MoO6 P‐N‐Type Heterojunction with Enhanced Photocatalytic Activity and Synergistic PMS Enrofloxacin Degradation
Authors: Li Pengpeng , Su Lei , Chen Juan , Li Shuo , Su Fu
Published: June 2024

In this work, Co3O4/Bi2MoO6 p‐n‐type heterojunctions were successfully fabricated via a hydrothermal method combined with in‐situ deposition. The as‐prepared samples were systematically characterized by means of SEM, TEM, XPS, XRD, etc. Through the synergistic effect of PMS (peroxosulfate monosalt), the obtained composite CB‐2 has a superior degradation performance of enrofloxacin under visible light irradiation, and the degradation rate of enrofloxacin reaches 87.84 % within 30 min. The reaction process of enrofloxacin degradation was analyzed by 3D EEM (exception emission matrix spectrum) and LC–MS (liquid phase mass spectrometry). The influence of the reaction system on EFA degradation efficiency without PMS synergy and light was studied. The kind of free radical was determined from the outcome of the EPR and free radical capture experiment. Benefiting from the construction of the p‐n heterojunction system and the activation of the PMS, the photogenerated carriers of the Co3O4/Bi2MoO6 composite can be fully separated and transferred to produce active species with higher oxidative properties. Based on this, the photocatalytic mechanism of Co3O4/Bi2MoO6/PMS was explored.
Preparation of Bi2O3@TiO2 Nanotube Arrays Composite Electrodes and the Detection Performance for 4‐Nitrophenol
Authors: Zhao Kai , Wang Xixin , Yang Mengyao , Liu Yuejiao , Zhao Jianling
Published: June 2024

TiO2 nanotube arrays (TNTA) were prepared by anodization, and then bismuth oxide (Bi2O3) was deposited on TNTA by vacuum impregnation‐chemical precipitation method to prepare Bi2O3@TNTA composite electrodes, which were used to detect 4‐nitrophenol (4‐NP) as an electrochemical (EC) sensor. The effects of the Bi2O3 loading amount and the pH value of the detection solution on the detection performance were exhaustively studied. Under best conditions, the linear range is 5 μΜ–30 mM, the sensitivity is 0.6696 μA ⋅ μM−1 ⋅ cm−2, and the limit of detection is 0.64 μΜ. The composite electrodes are characterized by outstanding reproducibility, superior stability and strong selectivity.