bluuebunny/crossref_metadata_2025_split huggingface dataset:
Superior Singlet Oxygen Electrosynthesis via Neighboring Dual Molecular Oxygen Coactivation for Selective Tetracycline Detoxification
Authors: Wang Kaiyuan , Dai Jie , Zhan Guangming , Zhao Long , Wang Ruizhao , Zou Xingyue , Wang Jiaxian , Zheng Qian , Zhou Bing , Zhao Rui , Zhang Yan , Lian Wengao , Yao Yancai , Zhang Lizhi 
Published: August 2024

AbstractOxygen (O2) electroreduction offers a green approach for singlet oxygen (1O2) synthesis in wastewater contaminants detoxification. However, traditional single O2 activation on single‐metal catalytic sites seriously suffers from the kinetically‐unfavorable desorption of adsorbed superoxide species (•O2−*/•OOH*). Here, we demonstrate a novel dual O2 coactivation pathway on shortened Fe1−OV−Ti sites for superior 1O2 electrosynthesis through a rapid disproportionate process between surface‐confined •O2−*/•OOH*. Theoretical calculations combined with in situ electrochemical spectroscopies demonstrated that the shortened distance between Fe single atom and adjacent unsaturated Ti atom facilitates the direct recombination of surface‐confined Fe−•OOH and Ti−•OO− to yield 1O2, bypassing the formidable •O2−*/•OOH* desorption process. Impressively, Fe1−OV−Ti could realize an excellent 1O2 electrosynthesis rate of 54.5 μmol L−1 min−1 with an outstanding 1O2 selectivity of 97.6 % under neutral condition, surpassing that of Fe1−O−Ti (27.1 μmol L−1 min−1, 91.7 %). Using tetracycline (TC) as a model pollutant, the resulting Fe1−OV−Ti electrode achieved nearly 100 % degradation in 120 min at −0.6 V, meanwhile preventing the generation of toxic intermediates. This study provides a new 1O2 electrosynthesis strategy by controlling the distance of adjacent catalytic sites for the coactivation of dual molecular oxygen.
Dilute Pd−Ni Alloy through Low‐temperature Pyrolysis for Enhanced Electrocatalytic Hydrogen Oxidation
Authors: Yuan Yi , Wu Xue‐Qian , Yin Xi , Ruan Heng‐Yu , Wu Ya‐Pan , Li Shuang , Hai Guangtong , Zhang Gaixia , Sun Shuhui , Li Dong‐Sheng 
Published: August 2024

AbstractDesigning highly active and cost‐effective electrocatalysts for the alkaline hydrogen oxidation reaction (HOR) is critical for advancing anion‐exchange membrane fuel cells (AEMFCs). While dilute metal alloys have demonstrated substantial potential in enhancing alkaline HOR performance, there has been limited exploration in terms of rational design, controllable synthesis, and mechanism study. Herein, we developed a series of dilute Pd−Ni alloys, denoted as x% Pd−Ni, based on a trace‐Pd decorated Ni‐based coordination polymer through a facile low‐temperature pyrolysis approach. The x% Pd−Ni alloys exhibit efficient electrocatalytic activity for HOR in alkaline media. Notably, the optimal 0.5 % Pd−Ni catalyst demonstrates high intrinsic activity with an exchange current density of 0.055 mA cm−2, surpassing that of many other alkaline HOR catalysts. The mechanism study reveals that the strong synergy between Pd single atoms (SAs)/Pd dimer and Ni substrate can modulate the binding strength of proton (H)/hydroxyl (OH), thereby significantly reducing the activation energy barrier of a decisive reaction step. This work offers new insights into designing advanced dilute metal or single‐atom‐alloys (SAAs) for alkaline HOR and potentially other energy conversion processes.
Individually Tunable Energy Levels of Oligomers Based on N−B←N Units
Authors: Zhu Xiaoyu , Zhang Yingze , Miao Junhui , Liu Jun , Wang Lixiang 
Published: August 2024

AbstractOpto‐electronic properties and device performance of organic semiconductors are mainly determined by energy levels of their frontier molecular orbitals, e.g. lowest unoccupied molecular orbital (ELUMO) and highest occupied molecular orbital (EHOMO) in the ground state, first singlet state (ES1) and first triplet state (ET1) in the excited state. These energy levels are always intricately intertwined. Herein, we report a series of monodisperse oligomers based on double B←N bridged bipyridine (BNBP) units. With the increasing number of repeating units, the oligomers exhibit gradually downshifted ELUMO and nearly unchanged EHOMO due to the different distribution of the frontier molecular orbitals of the oligomers. Moreover, the oligomers exhibit gradually decreasing ES1 and nearly unchanged ET1 because of the different contributions of the charge transfer component in the excited state. This work provides new insight into energy level tuning of organic semiconductors, which is important for high‐performance organic opto‐electronic devices.
A Regenerable Bi‐Based Catalyst for Efficient and Stable Electrochemical CO2 Reduction to Formate at Industrial Current Densities
Authors: Liu Hong , Bai Ye , Wu Meng , Yang Yingchen , Wang Yaoxuan , Li Longhua , Hao Jinhui , Yan Weicheng , Shi Weidong 
Published: August 2024

AbstractRenewable electricity shows immense potential as a driving force for the carbon dioxide reduction reaction (CO2RR) in production of formate (HCOO−) at industrial current density, providing a promising path for value‐added chemicals and chemical manufacturing. However, achieving high selectivity and stable production of HCOO− at industrial current density remains a challenge. Here, we present a robust Bi0.6Cu0.4 NSs catalyst capable of regenerating necessary catalytic core (Bi−O) through cyclic voltammetry (CV) treatment. Notably, at 260 mA cm−2, faradaic efficiency of HCOO− reaches an exceptional selectivity to 99.23 %, maintaining above 90 % even after 400 h, which is longest reaction time reported at the industrial current density. Furthermore, in stability test, the catalyst was constructed by CV reconstruction to achieve stable and efficient production of HCOO−. In 20 h reaction test, the catalyst has a rate of HCOO− production of 13.24 mmol m−2 s−1, a HCOO− concentration of 1.91 mol L−1, and an energy consumption of 129.80 kWh kmol−1. In situ Raman spectroscopy reveals the formation of Bi−O structure during the gradual transformation of catalyst from Bi0.6Cu0.4 NBs to Bi0.6Cu0.4 NSs. Theoretical studies highlight the pivotal role of Bi−O structure in modifying the adsorption behavior of reaction intermediates, which further reduces energy barrier for *OCHO conversion in CO2RR.
Characterizing associations between emotion dysregulation, anxiety, and repetitive behaviors in autistic youth with intellectual disability
Authors: Ferguson Emily F. , Spackman Emily , Cai Ru Ying , Hardan Antonio Y. , Uljarević Mirko 
Published: August 2024

AbstractThere is a paucity of research that explores associations between emotion dysregulation and the expression and severity of core and co‐occurring characteristics of autism spectrum disorder (ASD), especially in autistic youth with co‐occurring intellectual disability (ID). This study explored the interplay between developmental characteristics and emotion dysregulation, anxiety, and specific subtypes of RRBs that are elevated in autistic youth with co‐occurring ID. Generalized additive models demonstrated that age, sex, language level, dysregulation, and anxiety showed unique patterns of association with subtypes of RRBs in a sample of 150 autistic youth with co‐occurring ID who are non‐speaking or minimally verbal. More specifically, higher anxiety levels were significantly associated with elevations in repetitive sensory motor behaviors (RSMB), self‐injurious behaviors (SIB), insistence on sameness (IS), and unusual interests (UI). While emotion dysregulation was a significant predictor of UI, it demonstrated positive, albeit not significant, associations with the intensity of SIB and RSMB. Language level was a significant predictor of RSMB, such that the intensity of RSMB was higher for individuals who were non‐speaking relative to those who spoke in single words. These findings provide preliminary insights into patterns of associations between emotion dysregulation, anxiety, and specific subdomains of RRBs in autistic youth with ID.
The effect of Zentangle on cognitive focus, emotional well‐being, and stress levels: A neural perspective
Authors: Usman Muhammad , Jung Tzzy‐Ping , Hsin Ding‐Yun , Lin Chun‐Ling 
Published: August 2024

AbstractPurposeThis study aimed to assess how a Zentangle intervention influences cognitive focus, emotional well‐being, stress levels, and neural activity patterns across brain regions and frequency bands.MethodA cohort of 30 healthy adults, all without prior Zentangle experience, participated in this study. Electroencephalography (EEG) was used to measure their brain activity, and self‐reported data were collected through questionnaires to assess subjects’ concentration levels, emotional calm, and stress and anxiety.FindingsParticipants reported enhanced cognitive focus and emotional well‐being, evidenced by increased self‐reported concentration and emotional calmness, and reduced stress and anxiety levels during the intervention. EEG analyses revealed notable changes in neural activity patterns, including decreased delta power and increased theta, alpha, beta, and gamma bands. Functional connectivity analysis also highlighted alterations in the brain's functional connectivity, suggesting potential effects on neural communication and information processing.ConclusionThis study provides compelling evidence of Zentangle's impact on EEG data, aligning it with equanimity and tranquility consistent with previous mindfulness research. These findings underscore Zentangle as an effective mindfulness practice, potentially enhancing cognitive focus and emotional well‐being, and emerging as a valuable intervention for improving mental health and overall well‐being.
Epidemiology of penile cancer in Poland compared to other European countries
Authors: Wnętrzak Iwona , Czajkowski Mateusz , Barańska Klaudia , Miklewska Marta , Wojciechowska Urszula , Sosnowski Roman , Didkowska Joanna A. 
Published: August 2024

AbstractObjectivesTo examine the epidemiology of penile cancer in Poland compared to other European countries.Materials and MethodsIncidence and mortality data were acquired from the national cancer registries in Europe and WHO Mortality Database, respectively. The data are presented as age‐standardised morbidity and mortality rates, calculated according to the standard population of the world. We utilised Joinpoint analysis to assess the trends in morbidity and mortality and calculated the average rate of increase or decrease (Annual Percentage Change, Average Annual Percentage Change). Additionally, we estimate the proxy survival rates for each country.ResultsOur study is the first to cover the incidence of penile cancer in many European countries and estimates an approximate survival rate for large populations, which is rarely cited in the literature. The 40+ age group presented graphically in the article covered more than 90% of penile cancer cases and deaths. In the countries examined, there was an excess of deaths over incidence in the oldest age groups (75 years or older). Poland had intermediate incidence and mortality rates.ConclusionsUnlike many European countries, Poland is witnessing an increasing trend of penile cancer mortality. The higher death toll among those aged 75 years or older may suggest a lack of recognition of cancer symptoms and inadequate attention to elderly patients by the healthcare system. There is also evidence of underreporting penile cancer cases. Establishing centralised healthcare systems for rare cancers is a commendable development that should be emulated by other European countries, including Poland.
The potential of hydrogel‐free tumoroids in head and neck squamous cell carcinoma
Authors: Wong Michael , Vasani Sarju , Breik Omar , Zhang Xi , Kenny Lizbeth , Punyadeera Chamindie 
Published: August 2024

AbstractBackgroundHead and neck malignancy, and in particular squamous cell carcinoma (SCC), is responsible for a significant disease burden globally. The lack of an optimal in vitro model system to accurately recapitulate in vivo response to therapy in HNSCC remains a challenge. The development of patient‐derived three‐dimensional tumour cultures, or tumoroids, has enabled improved modelling of the tumour microenvironment through simulation of important characteristics such as tumour hypoxia, cell–cell interactions and nutrient diffusion characteristics.MethodsWe performed a comprehensive English‐language literature review of current methods of tumoroid development utilising Matrigel and Cultrex Basement Membrane Extract 2 (key terms: tumour organoids, tumoroids, hydrogels, Matrigel, Cultrex, squamous cell carcinoma, head and neck)—two common proprietary murine‐derived hydrogels containing extracellular matrix proteins. Nascent literature on the establishment of a novel hydrogel‐free platform for tumoroid development as distinct from these existing methods was also explored.ResultsWhilst useful for facilitating cell‐matrix interactions and providing a scaffold for three‐dimensional cell growth and organisation, murine‐derived cell matrix methods were noted to have notable limitations including temperature sensitivity and the medium forming a barrier to analysis of the supernatant. A novel hydrogel‐free method of establishing in vitro tumoroid cultures has been subject to experimentation in colorectal but not head and neck malignancy. The absence of a hydrogel provides for the de novo synthesis of extracellular matrix native to the tumour and self‐organisation of cells within this scaffold through the use of ultralow attachment plates. This model demonstrates similar structural and physiological properties to native tissue, whilst enabling more accurate biomimicry of the tumour microenvironment for drug testing.ConclusionsIn the absence of prior experimentation on a hydrogel‐free method for establishing HNSCC tumoroids, and comparisons between hydrogel and hydrogel‐free models, the future development of a comparative protocol encompassing recruitment, collection, processing and analysis represents a valuable opportunity.
Perceived class cohesion as a protection strategy against cyber‐bullying in vulnerable students: A study of secondary school students
Authors: Parisse Chiara , Marini Mara , Prislei Laura , Scarci Federica , Cecalupo Alessandra , Livi Stefano 
Published: August 2024

AbstractCyber‐bullying represents a form of verbal or psychological aggression, carried out intentionally and repeatedly, and perpetuated using digital devices that has negative consequences on the health and well‐being of adolescents. This phenomenon is prevented by contextual and dispositional factors. For this reason, our study investigated both these factors, specifically, the role of the perceived class cohesion in presence of vulnerability factors, that is, low levels of positivity. The results collected on a sample of 689 high school students (Mage = 17.3) suggest that the association between perceived class cohesion and victimisation was moderated by positivity. When young people with low positivity perceived low levels of social cohesion in the group, they experienced more cyberbullying victimisation. However, when high levels of perceived group cohesion were present, these experiences were reduced, regardless of their level of positivity. These results underline the importance of building a positive climate in the class group to prevent cyber‐bullying in adolescence, especially for the most vulnerable individuals.
Photo‐Claisen Rearrangement in a Coumarin‐Caged Peptide Leads to a Surprising Enzyme Hyperactivation
Authors: Maller Corina , Marouda Eirini , Köhn Maja 
Published: August 2024

AbstractProtein phosphatase‐1 (PP1) is a ubiquitous enzyme that counteracts hundreds of kinases in cells. PP1 interacts with regulatory proteins via an RVxF peptide motif that binds to a hydrophobic groove on the enzyme. PP1‐disrupting peptides (PDPs) compete with these regulatory proteins, leading to the release of the active PP1 subunit and promoting substrate dephosphorylation. Building on previous strategies employing the ortho‐nitrobenzyl (o‐Nb) group as a photocage to control PDP activity, we introduced coumarin derivatives into a PDP via an ether bond to explore their effects on PP1 activity. Surprisingly, our study revealed that the coumarin‐caged peptides (PDP‐DEACM and PDP‐CM) underwent a photo‐Claisen rearrangement, resulting in an unexpected hyperactivation of PP1. Our findings underscore the importance of linker design in controlling uncaging efficiency of photocages and highlight the need for comprehensive in vitro analysis before cellular experiments.
Analysis of genetic variability for nutritional quality traits among maize inbreds adapted to Punjab: A North‐Western province of India
Authors: Sharma Heena , Sandhu Surinder , Yousuf Nida , Oberoi Harpreet K. , Karnatam Krishna S. , Bhavyasree Ramakrishnan , Vikal Yogesh , Kumar Vikas 
Published: August 2024

AbstractBackground and ObjectivesThe deficiency of essential amino acids such as methionine, lysine, and tryptophan in maize protein presents a significant challenge in meeting nutritional demand. Comprehensive evaluation of maize germplasm for variability of essential amino acids, protein content, starch content, and β‐carotene contents in grains, along with their relationships with yield and its associated traits, is a prerequisite for strengthening genetic enhancement for nutritional traits. Thus, the current study presents the profiling of 60 maize inbred lines across 11 nutritional quality and yield, aiming to identify variability in these traits and potential donor candidates for commercial breeding.FindingsThe test inbreds exhibited significant variations in the content of grain methionine (0.04%–0.28%), tryptophan (0.019%–0.069%), lysine (0.063%–0.318%), protein (9.31%–11.80%), starch (58.32%–70.88%), and β‐carotene (2.38 ppm–6.79 ppm). Additionally, variations were noted in grain yield (0.87–2.52 t ha−1). Inter‐relationship analyses suggested the feasibility of simultaneous selection of essential amino acids (methionine, tryptophan, lysine) and β‐carotene. The germplasm stock was clustered, and potential diverse donors identified were recommended for utilization in breeding programs. Furthermore, the use of Attenuated Total Reflectance‐Fourier Transform Infrared (ATR‐FTIR) spectroscopy for screening high methionine and high lysine lines in large germplasm based on differences in peak intensity at 2922 cm−1 and 1110 cm−1 was reported, respectively.ConclusionsThe multilocation experiment revealed genetic diversity in both nutritional quality and yield across the 60 inbreds. The absence of a negative correlation between the amino acids and β‐carotene indicates the possibility of the development of hybrids with elevated essential amino‐acid levels combined with high β‐carotene content.Significance and NoveltyThis is the first holistic report on the variability of nutritional quality traits coupled with yield in maize germplasm. Identified nutrient‐rich inbreds will serve as valuable germplasm in maize biofortification programs. AT‐FTIR is proposed as an easy screening technique and the first report, which can be employed for the initial screening of a large set of germplasm for methionine and lysine content.
A novel fault diagnosis framework empowered byLSTMand attention: A case study on the Tennessee Eastman process
Authors: Zhao Shuaiyu , Duan Yiling , Roy Nitin , Zhang Bin 
Published: August 2024

AbstractIn the era of Industry 4.0, substantial research has been devoted to the field of fault detection and diagnosis (FDD), which plays a critical role in preventive maintenance of large chemical processes. However, the existing studies are primarily focused on few‐shot samples of process data and without considering the role of activation functions in temporal diagnostic tasks. In this paper, an end‐to‐end chemical fault diagnosis framework that combines bidirectional long short‐term memory (LSTM) with attention mechanism is proposed. In the preprocessing stage, a special sliding time window function is developed to integrate multivariate samples containing complex temporal information via operation such as subset extraction. Afterwards, the bidirectional LSTM is constructed to address dynamic and temporal relationship on longer series observation, and the attention mechanism is adopted to highlight key fault features by assigning different attention weights. A case application is performed on the enriched Tennessee Eastman process (TEP), which reduces the bias between sample statistics and larger population parameters compared to existing few‐shot sample studies. The metric evaluation experiments for six activations show that the model configured with tanh function can achieve the optimal tradeoff in chemical process tasks, providing a strong benchmark for subsequent fault diagnosis research.
Pressure loss in packed beds of multicomponent mixtures of flat particles with particle overlap, including random chips
Authors: Schonfeldt Evangelina , Hallett William L. H. 
Published: August 2024

AbstractwPressure loss measurements are presented for packed beds of multi‐component mixtures of thin angular parallelepipeds and of random wood chips for a Reynolds number range of 50 to 500. For flat particles like these, the degree to which the particles overlap is an essential factor in pressure loss, and this was measured using two different methods, including a novel technique involving progressive dismantling and photography of the bed. The experimental friction factors were found to be well represented by the Nemec and Levec pressure loss correlation, an Ergun‐type equation with an explicit dependence of the parameters on particle sphericity, with the equation expanded to include the effects of particle overlap and of packing anomalies at the wall. The friction losses of the mixtures were found to be somewhat higher than those of the individual component particles, requiring a minor change in the correlation parameters. Estimates of the tortuosity of the bed channels showed that the greater losses of the mixtures correspond to an increase in tortuosity.
Pressure‐Triggered Photochromism in Chiral Salicylaldehyde Schiff Bases
Authors: Li Yajing , Fu Jiacong , Yao Bohan , Zeng Pengyu , Peng Qiuchen , Li Yuanyuan , Li Kai , Zang Shuangquan 
Published: August 2024

Comprehensive SummarySalicylaldehyde Schiff base is a kind of important photochromism system, whose photochromism process is widely acknowledged to be co‐determined by the electronic structure and molecular conformation. Normally, salicylaldehyde Schiff base derivatives with α‐type structures tend to exhibit photochromism while those with β‐type structures tend to be photostable. However, more and more counterexamples are found, and the root cause of photochromism property of salicylaldehyde Schiff base is still unclear. In this work, a series of chiral salicylaldehyde Schiff bases and their racemates were prepared. The formers are photochromic while the latters are photostable. Influenced by Wallach's rule, the homochiral counterparts have looser packing modes than that of the racemic counterparts. Mechanism study revealed that the pressure should be the root cause of photochromism property. Close molecule packing can restrict the photochromism property effectively after being pressed, which also explains why the photochromism of salicylaldehyde Schiff base is usually observed in solid state. This work not only reports the unique photo‐responsive difference between the chiral salicylaldehyde Schiff bases and their racemates, more importantly, provides a new perspective to understand the influence of molecule pressure on their photophysical properties.