bluuebunny/crossref_metadata_2025_split huggingface dataset:
Slow vibrational relaxation drives ultrafast formation of photoexcited polaron pair states in glycolated conjugated polymers
Authors: Pagano Katia , Kim Jin Gwan , Luke Joel , Tan Ellasia , Stewart Katherine , Sazanovich Igor V. , Karras Gabriel , Gonev Hristo Ivov , Marsh Adam V. , Kim Na Yeong , Kwon Sooncheol , Kim Young Yong , Alonso M. Isabel , Dörling Bernhard , Campoy-Quiles Mariano , Parker Anthony W. , Clarke Tracey M. , Kim Yun-Hi , Kim Ji-Seon 
Published: July 2024

AbstractGlycol sidechains are often used to enhance the performance of organic photoconversion and electrochemical devices. Herein, we study their effects on electronic states and electronic properties. We find that polymer glycolation not only induces more disordered packing, but also results in a higher reorganisation energy due to more localised π-electron density. Transient absorption spectroscopy and femtosecond stimulated Raman spectroscopy are utilised to monitor the structural relaxation dynamics coupled to the excited state formation upon photoexcitation. Singlet excitons are initially formed, followed by polaron pair formation. The associated structural relaxation slows down in glycolated polymers (5 ps vs. 1.25 ps for alkylated), consistent with larger reorganisation energy. This slower vibrational relaxation is found to drive ultrafast formation of the polaron pair state (5 ps vs. 10 ps for alkylated). These results provide key experimental evidence demonstrating the impact of molecular structure on electronic state formation driven by strong vibrational coupling.
Aerobic mechanochemical reversible-deactivation radical polymerization
Authors: Feng Haoyang , Chen Zhe , Li Lei , Shao Xiaoyang , Fan Wenru , Wang Chen , Song Lin , Matyjaszewski Krzysztof , Pan Xiangcheng , Wang Zhenhua 
Published: July 2024

AbstractPolymer materials suffer mechano-oxidative deterioration or degradation in the presence of molecular oxygen and mechanical forces. In contrast, aerobic biological activities combined with mechanical stimulus promote tissue regeneration and repair in various organs. A synthetic approach in which molecular oxygen and mechanical energy synergistically initiate polymerization will afford similar robustness in polymeric materials. Herein, aerobic mechanochemical reversible-deactivation radical polymerization was developed by the design of an organic mechano-labile initiator which converts oxygen into activators in response to ball milling, enabling the reaction to proceed in the air with low-energy input, operative simplicity, and the avoidance of potentially harmful organic solvents. In addition, this approach not only complements the existing methods to access well-defined polymers but also has been successfully employed for the controlled polymerization of (meth)acrylates, styrenic monomers and solid acrylamides as well as the synthesis of polymer/perovskite hybrids without solvent at room temperature which are inaccessible by other means.
Alcohol consumption among Iranian population based on the findings of STEPS survey 2021
Authors: Hajebi Amirali , Nasserinejad Maryam , Rezaei Negar , Azadnajafabad Sina , Rashidi Mohammad-Mahdi , Ahmadi Naser , Ghasemi Erfan , Farzi Yosef , Yoosefi Moein , Djalalinia Shirin , Fattahi Nima , Rezaei Shahabeddin , Foroutan Mehr Elmira , Kazemi Ameneh , Haghshenas Rosa , Rezaee Kamyar , Momen Nia Rankohi Azadeh , Afsari Massomeh , Mahdavihezaveh Alireza , Jamshidi Hamidreza , Farzadfar Farshad 
Published: July 2024

AbstractAlcohol production and consumption have been prohibited in Iran for over four decades, leading to a typical underestimation of its consumption. This study aimed to assess the prevalence of alcohol consumption, its associated factors, and estimate per capita alcohol consumption among Iran’s adult population. In this population-based survey, 27,874 adults from across Iran were selected using systematic proportional-to-size cluster sampling. Alcohol consumption was evaluated through a modified Persian version of the STEPS questionnaires from previous studies, applied over different timespans. Per capita consumption was calculated using the quantity-frequency method, expressed in liters of pure alcohol. Adjusted odds ratios were reported for associates of alcohol consumption concerning metabolic risk factors, sociodemographic elements, and lifestyle variables. The prevalence of lifetime alcohol consumption was 6.9% (95% CI 6.5–7.2) in the adult population, with a notable sex difference (males: 13.7% [95% CI 13–14.4]; females: 1.4% [95% CI 1.1–1.6]). The 12 month prevalence was 3.8% (95% CI 3.6–4.1). For individuals aged 18 and older, the per capita alcohol consumption in Iran was 0.12 L. Factors such as being a lifetime smoker, younger, wealthier, and having 7–12 years of education were significantly linked to higher alcohol consumption. Significant associations were also observed between alcohol consumption and having a history of heart attacks (OR = 2.04, 95% CI 1.44–2.89), and physical injuries (OR = 1.88, 95% CI 1.34–2.64). The estimated lifetime and 12-month prevalence of alcohol use in our study were higher among some of the subpopulations. The findings also revealed a complex relationship between alcohol consumption, behavioral risk factors, and metabolic profiles. Consequently, immediate preventive measures tailored to each factor’s association with alcohol use are recommended.
Tailoring a facile electronic and ionic pathway to boost the storage performance of Fe3O4 nanowires as negative electrode for supercapacitor application
Authors: Abdelrahim Ahmed M. , El-Moghny Muhammad G. Abd , Abdelhady Hosam H. , Wali Hager S. , Gamil Mariam M. , Fahmy Samanta R. , Abdel-Hamid Toka M. , Mohammed Gehad K. , Ahmed Yasmeen A. , El-Deab Mohamed S. 
Published: July 2024

AbstractToday, high-energy applications are devoted to boosting the storage performance of asymmetric supercapacitors. Importantly, boosting the storage performance of the negative electrodes is a crucial topic. Fe3O4-based active materials display a promising theoretical storage performance as a negative electrode. Thus, to get a high storage performance of Fe3O4, it must be tailored to have a higher ionic and electronic conductivity and outstanding stability. Functionalized graphite felt (GF) is an excellent candidate for tailoring Fe3O4 with a facile ionic and electronic pathway. However, the steps of the functionalization of GF are complex and time-consuming as well as the energy loss during this step. Thus, the in-situ functionalization of the GF surface throughout the synthesis of Fe3O4 active materials is proposed herein. Fe3O4 is electrodeposited at the in-situ functionalized GF surface with the crystalline nanowires-like structure as revealed from the various analyses; SEM, TEM, Mapping EDX, XPS, XRD, wettability test, and Raman analysis. Advantageously, the synthetic approach introduces full homogeneous and uniform coverage of the large surface area of the GF. Thus, Fe3O4 nanowires with high ionic and electronic conductivity are characterized by a higher storage performance. Interestingly, Fe3O4/GF possesses a high specific capacity of 1418 mC cm−2 at a potential scan rate of 10 mV s−1 and this value retained to 54% at a potential scan rate of 50 mV s−1 at an extended potential window of 1.45 V. Remarkably, the diffusion-controlled reaction is the main contributor of the storage of Fe3O4/GF electrode as revealed by the mechanistic studies.
Obedience induces agentic shifts by increasing the perceived time between own action and results
Authors: Akyüz Nil , Marien Hans , Stok F. Marijn , Driessen Josi M. A. , de Wit John , Aarts Henk 
Published: July 2024

AbstractThe concept of 'agentic shift,' introduced by Stanley Milgram, suggests that obedience reduces the sense of agency. In a recent study simulating the seminal work of Milgram, Caspar et al., 2016 examined this idea in a financial harm context. They demonstrated that, compared to situations of voluntary decision-making, coercion increases the perceived time between action and outcomes—suggested as a marker of diminished agency. Importantly, in this study, participants were agent and victim (relying on a reciprocal relationship) and first experienced free choices, followed by forced choices. This diverts from Milgram’s original study, where participants were no victims but only agents who were forced to harm. The current study replicates and extends findings from the 2016 study by Caspar et al. in an online meeting setting, where participants served only as agents—similar to the original Milgram studies—while controlling the order of free and forced choice blocks. Substantiating earlier findings, forced choices reduced temporal binding (increased time interval estimations) compared to free choices independent of the order. We briefly discuss the importance of replications of coercion effects on the sense of agency, particularly in online decision-making settings.
Tablet-based Rey–Osterrieth Complex Figure copy task: a novel application to assess spatial, procedural, and kinematic aspects of drawing in children
Authors: Frigeni Marta , Petilli Marco A. , Gobbo Silvia , Di Giusto Valentina , Zorzi Carla F. , Rabuffetti Marco , Spinelli Federico , Gower Valerio , Daini Roberta , Cavallini Anna 
Published: July 2024

AbstractThe paper-and-pencil Rey–Osterrieth Complex Figure (ROCF) copy task has been extensively used to assess visuo-constructional skills in children and adults. The scoring systems utilized in clinical practice provide an integrated evaluation of the drawing process, without differentiating between its visuo-constructional, organizational, and motor components. Here, a tablet-based ROCF copy task capable of providing a quantitative assessment of the drawing process, differentiating between visuo-constructional, organizational, and motor skills, is trialed in 94 healthy children, between 7 and 11 years of age. Through previously validated algorithms, 12 indices of performance in the ROCF copy task were obtained for each child. Principal component analysis of the 12 indices identified spatial, procedural, and kinematic components as distinct dimensions of the drawing process. A composite score for each dimension was determined, and correlation analysis between composite scores and conventional paper-and-pencil measures of visuo-constructional, procedural, and motor skills performed. The results obtained confirmed that the constructional, organizational, and motor dimensions underlie complex figure drawing in children; and that each dimension can be measured by a unique composite score. In addition, the composite scores here obtained from children were compared with previsions results from adults, offering a novel insight into how the interplay between the three dimensions of drawing evolves with age.
Higher central circadian temperature amplitude is associated with greater metabolite rhythmicity in humans
Authors: Windred Daniel P. , Anderson Clare , Jeppe Katherine J. , Ftouni Suzanne , Grant Leilah K. , Nijagal Brunda , Rajaratnam Shantha M. W. , McConville Malcolm , Tull Dedreia , Lockley Steven W. , Cain Sean W. , Phillips Andrew J. K. 
Published: July 2024

AbstractRobust circadian rhythms are essential for optimal health. The central circadian clock controls temperature rhythms, which are known to organize the timing of peripheral circadian rhythms in rodents. In humans, however, it is unknown whether temperature rhythms relate to the organization of circadian rhythms throughout the body. We assessed core body temperature amplitude and the rhythmicity of 929 blood plasma metabolites across a 40-h constant routine protocol, controlling for behavioral and environmental factors that mask endogenous temperature rhythms, in 23 healthy individuals (mean [± SD] age = 25.4 ± 5.7 years, 5 women). Valid core body temperature data were available in 17/23 (mean [± SD] age = 25.6 ± 6.3 years, 1 woman). Individuals with higher core body temperature amplitude had a greater number of metabolites exhibiting circadian rhythms (R2 = 0.37, p = .009). Higher core body temperature amplitude was also associated with less variability in the free-fitted periods of metabolite rhythms within an individual (R2 = 0.47, p = .002). These findings indicate that a more robust central circadian clock is associated with greater organization of circadian metabolite rhythms in humans. Metabolite rhythms may therefore provide a window into the strength of the central circadian clock.
Shrimp hemocyanin elicits a potent humoral response in mammals and is favorable to hapten conjugation
Authors: Sun Huiwen , Wei Moris , Guo Amber , Zhang Ci , Wang Yuefeng , Huang Renhui , Li Xiaoxiao , Zhan Jeffrey , Wu Jonny , Jiang Bruce 
Published: July 2024

AbstractConjugation to a carrier protein is essential to give rise to the antigenicity of hapten. Three carrier proteins e.g. KLH (Keyhole Limpet hemocyanin), BSA (bovine serum albumin), and OVA (Ovalbumin) were used mostly. KLH is advantageous to the others, majorly owing to its strong immunogenicity and limited usage in other biological assays. However, the cost of obtaining Keyhole Limpet is high and the solubility of KLH is not as well as the other carriers, especially after hapten conjugation. Here, we extracted the shrimp hemocyanin (SHC) from Litopenaeus vannamei (L. vannamei), which is a commonly sea product worldwide. The high pure SHC could be acquired by two-step purification, with a production yield of > 1 g proteins (98% pure) per 1 kg shrimp. Compared to KLH, the peptide-SHC conjugates exhibit higher solubility after hapten conjugation. Meanwhile, compared with KLH, SHC induces comparable antibody production efficiency in mammals, with or without conjugation. Furthermore, rabbit polyclonal antibodies or mouse monoclonal antibodies were generated by immunizing SHC-peptide conjugates, and the subsequent antibodies were confirmed to be used in western blot, immunofluorescence and immunohistochemistry. Therefore, we demonstrated that SHC may be used as a substitute for KLH in future antibody and vaccine development.
The essential role of cement-based materials in a radioactive waste repository
Authors: Ma Bin , Provis John L. , Wang Dengquan , Kosakowski Georg 
Published: July 2024

AbstractCement-based materials are integral to radioactive waste repositories, providing versatile solutions for diverse disposal strategies. They are part of the multi-barrier system, and serve to immobilize waste materials, limit the release of radionuclides, contribute to an alkaline near-field to inhibit steel corrosion, reduce microbial activity, and slow down radionuclide transport in the repository near-field. This work delves into the adaptability of the multi-barrier systems for long-term safety, examining cases in clay and granite. Highlighting the disposal case in clay, the study emphasizes the role of cement in ensuring repository stability. The barrier system aims to minimize radionuclide release and demonstrate long-term isolation and containment of waste. The containment duration is relevant to the radionuclide’s half-life, with consideration for extended safety over extremely long periods. Cement evolves under geological conditions, undergoing a progressive process of degradation that is influenced by intricate aggregate-cement reactions and external factors, e.g., sulfates and chlorides in groundwater, the host rocks (including clays and granites), and the engineered barrier materials (including bentonite and steel), and in turn influencing mechanical stress generation and porosity. The very slow chemical alteration processes that take place at the concrete/granite interface underscore the repository stability. Corrosion of steel in the cement is expected to be slow, but its long-term structural and chemical changes remain quite unknown. Challenges remain in accurately predicting the long-term performance of the cement due to uncertainties in chemical reactivity, the impact of partial water saturation, and the kinetics of degradation processes. The manuscript advances the development of predictive modeling tools for assessing the long-term performance of cement-based barriers. The integration of experimental results with modeling efforts offers a robust framework for predicting the behavior of cementitious materials under various environmental conditions, thereby contributing to more reliable safety assessments of radioactive waste repositories. The role of cement phases in ensuring repository safety remains pivotal.
Microwave catalytic pyrolysis of biomass: a review focusing on absorbents and catalysts
Authors: Ke Linyao , Zhou Nan , Wu Qiuhao , Zeng Yuan , Tian Xiaojie , Zhang Jiahui , Fan Liangliang , Ruan Roger , Wang Yunpu 
Published: July 2024

AbstractThe quest for low-carbon alternatives to fossil fuels and the carbon emissions associated with the natural degradation of biomass have accelerated the development of biomass processing technologies. Microwave catalytic pyrolysis is emerging as a technology for efficient conversion of biomass into energy, fuels and chemicals. However, due to the inherent poor dielectric properties and complex composition of biomass, two main technical challenges faced by microwave catalytic pyrolysis of biomass are efficient heating of biomass and improving the selectivity of target products. Potential solutions involve the use of microwave absorbents and catalysts, respectively. This review begins by addressing the difficulty in balancing energy efficiency and conversion efficiency by introducing microwave absorbents that play a positive role in improving heating efficiency. The principle of microwave absorbents in assisting biomass heating is revealed, and the impacts of the microwave absorbent type (related to microwave properties and physical properties) and the additive amount on the heating effect and biomass pyrolysis product distribution are discussed. Subsequently, the search for catalysts applied in biomass microwave pyrolysis for modulation of product distribution is explored. Special attention has been paid to the catalysts with microwave absorption properties, including activated carbon, zeolites, some metal oxides and metal salts. In addition, the energy efficiency, economic feasibility, and environmental impacts of this processing technology utilizing microwave absorbents and catalysts are examined based on energy analysis, techno-economic assessment, and life cycle assessment. The current scale-up challenges of microwave catalytic pyrolysis of biomass and some potential solutions to enhance the commercial feasibility of this technology are also discussed. Finally, the review provides some future development directions of this technology.
Quantum calculi and formalisms for system and network security: A bibliographic insights and synoptic review
Authors: Kumar Adarsh , Hedabou Mustapha , Augusto de Jesus Pacheco Diego 
Published: July 2024

AbstractQuantum calculi and formalisms are useful tools for ensuring security and computational capabilities in blockchain and cryptography. They aid in designing and analysing new cryptographic protocols for blockchain, determining the behaviour of quantum operations in blockchain‐based smart contracts, assessing the feasibility and security of quantum algorithms in blockchain applications, and building a quantum‐safe blockchain system. A comprehensive review of the applications of quantum calculi and formalisms in computer security and network security, along with a bibliographic analysis is presented. It is unique in that it combines bibliometric analyses with a technical review of the domain of quantum calculi and formalism. Bibliometric and biographic analysis in the field helps identify research trends, assess the influence of research, determine collaboration patterns, evaluate journals, and examine publication behaviours, among other things. It performs bibliographic and bibliometric analysis using a dataset collected from Scopus and Web of Science through different queries. The obtained results help identify important institutions, authors, organisations, collaboration networks, keywords, and more. The provided open challenges and future vision pave the way for further research in the direction of quantum calculi and formalism applications in computer security and network security.
Efficient Metal-Free Synthesis of Heterotriarylmethanes by 1,4-Addition of Benzofuran Azadienes
Authors: Huang Hong-Li , Peng Zhongzhong , Gao Fei , Li Shan , Lv Yong-Zheng , Shi Ya-Qian , Liu Chang-Bo 
Published: July 2024

AbstractA novel and efficient method has been established for synthesizing a variety of heterotriarylmethanes with good yields by employing a metal-free self-coupling reaction of benzofuran azadienes. The involvement of t-BuONa is essential in this process. Remarkably, this technique boasts mild reaction conditions and exceptional compatibility with various functional groups, rendering it a versatile and invaluable asset in the realm of organic synthesis.
Transition-Metal-Free Approach for the Synthesis of N-Arylated Piperidones and their Ketals from Ketene Dithioacetals
Authors: Pratap Ramendra , Sahu Satya Narayan , Shaw Ranjay , Althagafi Ismail 
Published: July 2024

AbstractN-Arylated piperidones are present as pharmacophores in many pharmaceuticals and serve as useful precursors for the construction of important new molecules. We have developed a transition-metal-free, cost-effective, and mild approach for the synthesis of N-(hetero)arylated piperidones and their ketals by using ketals of piperidones and 2-oxo-5,6-dihydro-2H-benzo[h]chromene-3-carbonitriles as precursors. The desired products were obtained in two steps: amination of the 2-oxo-5,6-dihydro-2H-benzo[h]chromene-3-carbonitrile from piperidone, followed by ring transformation using a suitable nucleophile source. We have successfully tethered functionalized dihydrophenanthrenes, hydrobenzo[c]phenanthrenes, and benzoquinolines to piperidinone moieties under transition-metal-free conditions.
Chemo- and Regioselective Demethylation of 2-Bromo-α-resorcylic Acid Derivatives Using Alkylthiolate Salts
Authors: Voyer Normand , Cardinal Sébastien , Fraser Tommy , Harbour Zakiel 
Published: July 2024

AbstractWe report here the chemo- and regioselective demethylation of 2-bromo-3,5-dimethoxy-α-resorcylic acid esters by a thiolate nucleophilic displacement reaction. Optimized conditions facilitate yields up to 93% for o-bromo-selective demethylation of diverse ester derivatives of dimethoxy 2-bromo-α-resorcylic acid. Our results highlight a new, efficient, and reliable demethylation reagent, as well as a useful steric bias directing strategy.
Indian Society of Medical and Paediatric Oncology (ISMPO)—Breast Cancer in Young Guidelines
Authors: Bajpai Jyoti , Gandhi Shruti Sanjay , Rajappa Senthil , Pathak Rima , Joshi Shalaka , Batra Atul , Singh Manisha , Ghosh Joydeep , Rangarajan Bharath , Prakash Gaurav , Dubashi Biswajit , Ahmad Syed Nisar , Sreedharan Rinoy , Swamy Mathighatta Shivarudraiah Shivashankara , Sirohi Bhawna , Desai Chirag , Chitalkar Prakash , Gupta Sudeep , Malhotra Hemant , Aggrawal Shyam 
Published: July 2024

AbstractBreast cancer (BC) is the most common type of cancer globally and in India. In India, BC is more common among younger women compared with Western counterparts. Younger women with BC tend to have a less favorable outcome as they are more likely to have aggressive tumors. Younger women are not well represented in BC management studies as the median age at diagnosis is in the late 50s to early 60s. This can lead to difficulty in using risk-stratification models and molecular tools among young BC patients and may result in overtreatment. Therefore, Indian Society of Medical and Pediatric Oncology gathers and organizes available evidence from published literature to create a guide specifically for young BC patients in low- and middle-income countries like India.