bluuebunny/crossref_metadata_2025_split huggingface dataset:
Redox and Kinetic Properties of Composition‐Dependent Active Sites in Copper‐Exchanged Chabazite for Direct Methane‐to‐Methanol Oxidation
Authors: Brenig Andreas , Fischer Jörg W. A. , Klose Daniel , Jeschke Gunnar , van Bokhoven Jeroen A. , Sushkevich Vitaly L. 
Published: July 2024

AbstractThe CH4 oxidation performance of Cu‐chabazite zeolites characterized by distinct Si/Al ratios and Cu loadings has been studied and the observed variations in reactivity have been correlated to the differences in the nature of the formed active centers. Plug flow reactor tests, in situ Fourier‐transform infrared, and X‐ray absorption spectroscopy demonstrate that a decrease in Cu loading shifts the reactivity/redox profile to higher temperatures and increases the CH3OH selectivity and Cu‐efficiency. In situ electron paramagnetic resonance, Raman, ultraviolet‐visible, Fourier‐transform infrared, and photoluminescence spectroscopies reveal that this behavior is associated with the presence of monomeric Cu active sites, including bare Cu2+ and [CuOH]+ present at low Si/Al ratio and Cu loading. Formation of two distinct [Cu2(μ‐O)]2+ moieties at higher Si/Al ratio or Cu loading forces these trends into the opposite direction. Operando electron paramagnetic resonance and ultraviolet‐visible spectroscopy show that the apparent activation energy of monomeric Cu active species decreases with increasing Si/Al ratio, whereas the one of dimeric centers is unaffected.
New potent muscarinic receptor ligands bearing the 1,4‐dioxane nucleus: Investigation on the nature of the substituent in position 2
Authors: Giorgioni Gianfabio , Bonifazi Alessandro , Matucci Rosanna , Matteucci Federica , Piergentili Alessandro , Piergentili Alessia , Quaglia Wilma , Gervasoni Silvia , Vistoli Giulio , Vittorio Serena , Del Bello Fabio 
Published: July 2024

AbstractA new series of muscarinic acetylcholine receptor (mAChR) ligands obtained by inserting different substituents in position 2 of the potent 6,6‐diphenyl‐1,4‐dioxane antagonists 4 and 5 was designed and synthesized to investigate the influence of steric bulk on the mAChR affinity. Specifically, the insertion of a 2‐methyl group, affording compounds 6 and 9, resulted as the most favorable modification in terms of affinity for all muscarinic subtypes. As supported by computational studies performed on the hM1 receptor, this substituent may contribute to stabilize the ligand within the binding site by favoring the formation of stable interactions between the cationic head of the ligand and the residue D105. The increase of steric bulk, obtained by replacing the methyl group with an ethyl (7 and 10) and especially a phenyl substituent (8 and 11), caused a marked decrease of mAChR affinity, demonstrating the crucial role played by the steric bulk of the 2‐substituent in the mAChR interaction. The most intriguing result was obtained with the tertiary amine 9, which, surprisingly, showed two different pKi values for all mAChRs, with preferential subpicomolar affinities for the M1, M3, and M4 subtypes. Interestingly, biphasic curves were also observed with both the eutomer (S)‐(–)‐9 and the distomer (R)‐( + )‐9.
Medical school students' perspectives on virtual anatomy education in a developing country
Authors: Mbagwu Smart I. , Edem Edem E. , Adegbilero‐Iwari Oluwaseun E. , Akunna Gabriel G. , Makanjuola Victor O. , Ogbo Felix O. , Enye Linus A. 
Published: July 2024

AbstractUnderstanding the fundamental role anatomy education plays in medical training and taking into consideration the nascence of online education in Nigeria, this study evaluated the perceptions of medical and allied‐health students toward online anatomy education both during the COVID‐19 lockdown in Nigeria and for the future. For this study, Google Form questionnaires were distributed via different social and academic platforms to medical and allied‐health students in Nigeria between September 28 and December 17, 2020. A total of 954 students participated in the study and 947 valid responses were recorded. The results showed that 77.6% of the students had reported computer/IT skills and 12.1% admitted that they had never attended an online class. Interestingly, 60% of the respondents disapproved of online learning approaches as effective tools for instructions in the anatomical sciences. Majority of the students (84%) agreed that their performance in anatomy would have been better if the classes were face‐to‐face, while 55% found the online anatomy classes uninteresting. Furthermore, 91.5% agreed that anatomy educators needed advanced skills for online education, while 94.2% agreed that anatomy online teaching needs more advanced technology to be implemented in Nigeria. This study revealed an overall negative perception about the suitability and effectiveness of online anatomy education in Nigerian medical/health training. This study recommends further investigations into the challenges that were presented during online anatomy education at the peak of the pandemic. This will help direct the development and implementation of a workable and sustainable online education model for anatomical sciences in Nigeria.
Rational Design of Isolated Tetrahedrally Coordinated Ti(IV) Sites in Zeolite Frameworks for Methyl Oleate Epoxidation
Authors: Klinyod Sorasak , Yomthong Krissanapat , Iadrat Ploychanok , Kidkhunthod Pinit , Choojun Kittisak , Sooknoi Tawan , Wattanakit Chularat 
Published: July 2024

AbstractThe rational design of isolated metals containing zeolites is crucial for the catalytic conversion of biomass‐derived compounds. Herein, we explored the insertion behavior of the isomorphic substitution of Ti(IV) in different zeolite frameworks, including ZSM‐35 (FER), ZSM‐5, and BEA. The different aluminium topological densities of each zeolite framework lead to the creation of different degrees of vacant sites for hosting the tetrahedrally coordinated Ti(IV) active sites. These observations show the precise control of the degree of four‐coordinated Ti(IV) sites in a zeolite framework, especially in BEA topology, by tuning the degree of unoccupied sites in the host zeolite structure via dealumination. Interestingly, the more vacancies in the host zeolite structure, the more isolated tetrahedrally coordinated Ti(IV) can be increased, eventually enhancing the catalytic performance in methyl oleate (MO) epoxidation for producing methyl‐9,10‐epoxystearate (EP). The engineered Ti‐β exhibits outstanding performances in bulky MO epoxidation with the amount of produced EP per number of Ti sites up to 17.1±1.8 mol mol−1. This observation discloses an alternative strategy for optimizing catalyst efficiency in the rational design of the Ti‐embedding zeolite catalyst, endeavoring to reach highly efficient catalytic performance.
ChatGPT and generative AI in urology and surgery—A narrative review
Authors: Qin Shane , Chislett Bodie , Ischia Joseph , Ranasinghe Weranja , de Silva Daswin , Coles‐Black Jasamine , Woon Dixon , Bolton Damien 
Published: July 2024

AbstractIntroductionChatGPT (generative pre‐trained transformer [GPT]), developed by OpenAI, is a type of generative artificial intelligence (AI) that has been widely utilised since its public release. It orchestrates an advanced conversational intelligence, producing sophisticated responses to questions. ChatGPT has been successfully demonstrated across several applications in healthcare, including patient management, academic research and clinical trials. We aim to evaluate the different ways ChatGPT has been utilised in urology and more broadly in surgery.MethodsWe conducted a literature search of the PubMed and Embase electronic databases for the purpose of writing a narrative review and identified relevant articles on ChatGPT in surgery from the years 2000 to 2023. A PRISMA flow chart was created to highlight the article selection process. The search terms ‘ChatGPT’ and ‘surgery’ were intentionally kept broad given the nascency of the field. Studies unrelated to these terms were excluded. Duplicates were removed.ResultsMultiple papers have been published about novel uses of ChatGPT in surgery, ranging from assisting in administrative tasks including answering frequently asked questions, surgical consent, writing operation reports, discharge summaries, grants, journal article drafts, reviewing journal articles and medical education. AI and machine learning has also been extensively researched in surgery with respect to patient diagnosis and predicting outcomes. There are also several limitations with the software including artificial hallucination, bias, out‐of‐date information and patient confidentiality.ConclusionThe potential of ChatGPT and related generative AI models are vast, heralding the beginning of a new era where AI may eventually become integrated seamlessly into surgical practice. Concerns with this new technology must not be disregarded in the urge to hasten progression, and potential risks impacting patients' interests must be considered. Appropriate regulation and governance of this technology will be key to optimising the benefits and addressing the intricate challenges of healthcare delivery and equity.
Hearing student voice within the context of Iran: Building schools for the future
Authors: Ahmadi Reza , Yousofi Nouroddin 
Published: July 2024

AbstractSchools adopt student voice as a means of identifying educational problems and weaknesses for improvement. In recent decades, student voice work has gained momentum, and, more importantly, dwelling on hearing students has been noticed as a way of facilitating educational decisions for school reforms. To this end, the study, drawing upon a qualitative research method, investigated the student voice in schools within the context of Iran in an effort to determine what obstacles they face in education. Data was collected through an open‐ended questionnaire. Employing thematic content analysis, the major themes and patterns were extracted for codifications. The findings illustrated that students specified four major problems, including resources (books), processes (rules), relationships (teachers, parents, staff) and environment (school). To conclude, student voice needs to be embedded in the educational system of Iran if stakeholders seek improvement and reform in schools in the near future.
The history and status of dopamine cell therapies for Parkinson's disease
Authors: Barker Roger A. , Björklund Anders , Parmar Malin 
Published: July 2024

AbstractParkinson's disease (PD) is characterized by the loss of the dopaminergic nigrostriatal pathway which has led to the successful development of drug therapies that replace or stimulate this network pharmacologically. Although these drugs work well in the early stages of the disease, over time they produce side effects along with less consistent clinical benefits to the person with Parkinson's (PwP). As such there has been much interest in repairing this pathway using transplants of dopamine neurons. This work which began 50 years ago this September is still ongoing and has now moved to first in human trials using human pluripotent stem cell‐derived dopaminergic neurons. The results of these trials are eagerly awaited although proof of principle data has already come from trials using human fetal midbrain dopamine cell transplants. This data has shown that developing dopamine cells when transplanted in the brain of a PwP can survive long term with clinical benefits lasting decades and with restoration of normal dopaminergic innervation in the grafted striatum. In this article, we discuss the history of this field and how this has now led us to the recent stem cell trials for PwP.
Eco‐friendly simultaneous estimation of atenolol and losartan potassium in spiked human plasma via synchronous fluorescence with sustainability assessment
Authors: Ghozzy Ekram A. , El‐Enany Nahed M. , Tolba Manar M. , El Abass Samah Abo 
Published: July 2024

AbstractA green, sensitive, and fast spectrofluorimetric technique for the simultaneous determination of atenolol (ATN) and losartan potassium (LSR) was developed. The proposed technique relied on the implementation of a first derivative synchronous fluorescence spectroscopy for the determination of the investigated drugs simultaneously without pretreatment procedures. The synchronous fluorescence of both drugs was measured in methanol at Δλ of 100 nm, and the first derivative peak amplitudes (1D) were measured at 321 nm for ATN and 348 nm for LSR, each at the zero‐crossing point of the other. The method was rectilinear over the concentration ranges of 100–1000 ng/mL and 50–500 ng/mL for ATN and LSR, respectively. The proposed technique was successfully applied for the determination of the studied drugs in their laboratory‐prepared mixture and pharmaceutical formulations, demonstrating high mean recoveries of 100.54% for ATN and 100.62% for LSR, without interference from common excipients. The results were in good agreement with those obtained by the comparison method. Three recent greenness assessment tools, the Eco‐Scale tool, the Green Analytical Procedure Index (GAPI) metric, and the Analytical GREEnness metric approach, were employed to affirm the greenness of the proposed method. The developed method was proven to be eco‐friendly.
Treadmill exercise prevents recognition memory impairment in VD rat model and enhancement of hippocampal structural synaptic plasticity
Authors: Zhang Linlin , Wu Hao , Fan Yongzhao , Tian Fang 
Published: July 2024

AbstractObjectiveIn vascular dementia (VD), memory impairment caused by the damage of synaptic plasticity is the most prominent feature that afflicts patients and their families. Treadmill exercise has proven beneficial for memory by enhancing synaptic plasticity in animal models including stroke, dementia, and mental disorders. The aim of this study was to examine the effects of treadmill exercise on recognition memory and structural synaptic plasticity in VD rat model.MethodsMale Sprague‐Dawley rats were randomly assigned into four groups: control group (C group, n = 6), vascular dementia group (VD group, n = 6), treadmill exercise and vascular dementia group (Exe‐VD group, n = 6), and treadmill exercise group (Exe group, n = 6). Four‐week treadmill exercise was performed in the Exe‐VD and Exe groups. Then, the common carotid arteries of rats in the VD and Exe‐VD groups were identified to establish the VD model. Behavior tests (open‐field test and novel recognition memory test) were adopted to evaluate anxiety‐like behavior and recognition memory. Transmission electron microscopy and Golgi staining were performed to observe synaptic ultrastructure and spine density in the hippocampus.ResultsOur study demonstrated that VD rat exhibited significantly anxiety‐like behavior and recognition impairment (p < .01), while treadmill exercise significantly alleviated anxiety‐like behavior and improved recognition memory in VD rat (p < .01). Transmission electron microscopy revealed that hippocampal synapse numbers were significantly decreased in the VD group compared to the control group (p < .05). These alterations were reversed by treadmill exercise, and the rats exhibited healthier synaptic ultrastructure, including significantly increased synapse (p < .05). Meanwhile, golgi staining revealed that the spine numbers of the hippocampus were significantly decreased in the VD group compared to the control group (p < .05). When compared with the VD group, hippocampal spine numbers were significantly increased in the Exe‐VD group (p < .05).ConclusionThe improvement of VD‐associated recognition memory by treadmill exercises is associated with enhanced structural synaptic plasticity in VD rat model.
Should the city be for everyone? The relationship between worldviews, ideological attitudes, and the approval of hostile design
Authors: Kauff Mathias , Lämmle Lena , Kroll Esther , Gehring Larissa , Soucek Roman , Asbrock Frank 
Published: July 2024

AbstractExpanding upon Duckitt's dual‐process motivational model of ideology and prejudice (DPM; Duckitt, 2001), this research explores the psychological underpinnings of the approval of hostile design (AoHD) measures. Hostile design measures are interventions designed to deter undesirable behaviours and specific social groups in urban areas. Across three correlational studies (N = 798) conducted in Germany and the US, we investigated the relationship between AoHD, Right‐Wing Authoritarianism (RWA), Social Dominance Orientation (SDO), as well as dangerous and competitive worldviews. AoHD was positively associated with RWA and SDO, as well as with dangerous and competitive worldviews. In line with the DPM, the relationship between a competitive worldview and AoHD is mediated by SDO in Studies 2 and 3. In addition, the relationship between a dangerous worldview and AoHD is mediated by RWA in Study 2 but not in Study 3. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Synthesis and Antifungal Activities of Glucosamine Aromatic Derivatives Against Four Phytopathogenic Fungi of Crops
Authors: Wu Lulu , Shi Lijun , Fan Liangxin , Pan Zhenliang , Zhao Zhonglin , Su Hui , Wang Caixia , Yang Nan , Xu Cuilian , Yang Guoyu 
Published: July 2024

AbstractA series of diversified glucosamine derivatives (3a–3y) was synthesized and their antifungal activity was examined against four kinds of phytopathogens, Fusarium graminearum (F. graminearum), Fusarium moniliforme (F. moniliforme), Curvularia. lunata (C. lunata), and Rhizoctonia solani (R. solani) which cause seriously economic losses worldwide by affecting crops. The compound 3o showed remarkable antifungal activity against F. graminearum with EC50 value of 3.96 μg/mL, compared to the standard drug triadimefon (10.1 μg/mL). 3D‐QSAR model with the statistically recommended values (r2=0.915, q2=0.872) showed that positive charge group or bulky group in the benzyl ring was favorable for the antifungal activity. Enzyme activity assays confirmed that 3o had a moderate inhibition of trehalase with inhibition rate of 51.4 % at 5 μg/mL, which is comparable to those of commercial inhibitor validamycin A with inhibition rate of 83.3 %. Molecular docking analysis revealed that 3o also had a hydrogen bond interaction with key amino acid residue compared to validoxylamine
Career‐related parental support and learning engagement: Exploring the mediation pathways of career adaptability and life meaning
Authors: Xiao Tong , Zeng Qing , Peng Ying , Zhang Minqiang , Wang Biyao 
Published: July 2024

AbstractParents greatly affect youth's vocational and educational development. The objective of the study was to investigate how parental support in career development affects adolescents’ learning engagement and the mediating effects of four career adaptability aspects and life meaning. The participants were 516 high school students from Guangdong, China. The study found that: (1) Career‐related parental support had a positive impact on learning engagement; (2) career confidence and life meaning acted as mediators connecting career‐related parental support with learning engagement; and (3) there was a chain mediation path among career‐related parental support, career concern, control, and confidence, life meaning, and learning engagement. Our findings add to the prevailing literature by confirming and extending self‐determination theory as well as career development and systems theory. Based on these findings, we hope that schools and parents may implement some interventions to promote the academic engagement of students.
Assessing Solid Catalysts with Ionic Liquid Layers (SCILL) from Molecular Dynamics Simulations: On the Role of Local Charge Polarization
Authors: Trzeciak Simon , Zahn Dirk 
Published: July 2024

AbstractRecent developments in molecular mechanics modelling of metal catalyst surfaces with interfaces to complex ad‐layers or bulk liquids enable the study of 10 nm scale systems by molecular dynamics simulations of up to microseconds. Therein, electronic polarization as otherwise benchmarked by quantum calculations is mimicked via atom‐centered partial charges that are adjusted dynamically to account for changes in local environment. Apart from thermal fluctuations, this encompasses molecule association and dissociation processes as well as externally applied voltage. Here, we elaborate the concept of employing the charge equilibration method to the molecular dynamics simulation of solid catalysts, namely metal surfaces and substrate‐supported metal nanoparticles. This showcases the association of reactants and their interplay with local charge polarization upon co‐adsorption of ionic liquids or application of external voltage – thus paving the way to understanding complex interfaces in (electro−)catalysis from molecular dynamics simulation.
Polymeric flocculation of oil sands tailings: Unveiling rheological indicators and dynamics of bitumen release
Authors: Sasar Mohammadhasan , Johnston Cliff T. , Santagata Marika 
Published: July 2024

AbstractPolymeric flocculation is widely used to accelerate the dewatering and consolidation of oil sands fluid fine tailings (FFTs). Optimizing flocculation requires a fundamental understanding of the changes to the internal structure of the material with polymer addition. Key challenges include sensitivity of flocculation to polymer dose, mixing conditions, and composition of individual FFTs. Moreover, despite the environmental implications, little is known of the effects of flocculation on the mobility of the residual organics present in the tailings. In this paper, advanced rheological tests are used to probe the formation and development of the polymer–clay structure during flocculation in near‐real time. This is achieved through a novel setup for controlled delivery of the polymer directly into the measuring cell of a rheometer. This enables continuous monitoring of the rheological parameters during the flocculation process and yields consistent and reproducible samples. An optical monitoring system is used to relate rheological measurements to water release and to changes in the surface accumulation of the residual bitumen. The water‐release polymer dose is found to be associated with a distinct rheological response highlighting the potential use of rheometry for polymer dosing/mixing optimization in real time and on a continuous basis in thickeners and inline flocculation systems.
Conjugation Methods in Synthetic Glycoconjugate Vaccines
Authors: Huang Zirong , Chen Sheng , Li Xuechen , Liu Han 
Published: July 2024

AbstractIn the past two to three decades, synthetic glycoconjugate vaccines have shown great potential in the prevention of severe infections and protection of high‐risk populations. Conjugation of synthetic oligosaccharide haptens to carrier proteins is the key step for the vaccine preparation. In this review, the conjugation methods currently used in the synthesis of glycoconjugate vaccines from synthetic/homogeneous oligosaccharide haptens are summarized with the focus on the reaction conditions (pH and sugar/protein ratio) and performance. This information can help researchers choose the appropriate conjugation methods. Further research directions toward site‐specific conjugations and fully homogeneous glycoconjugate vaccines are also discussed.