bluuebunny/crossref_metadata_2025 huggingface dataset:
Effortless impregnation method for melamine formaldehyde foams exhibiting elevated thermal stability and exceptional flame retardant characteristics
Authors: Chen Peng , He Yueshan , Sun Haowen , Li Shansu , Mo Wenjing , Liu Yuan , Wang Qi
Published: April 2024

Melamine‐formaldehyde (MF) foam, while intrinsically flame retardant, necessitates further refinement to meet stringent fire safety standards, particularly in terms of heat release rate and thermal stability. In this study, an innovative approach was adopted wherein an inorganic substance, potassium water glass (WG), was employed to create an encapsulation layer on the surface of the MF foam structure via a straightforward dip‐coating technique. The composite foam underwent a comprehensive analysis of its structure and flame retardant characteristics, using test evaluations such as micro‐scale combustion calorimeter (MCC) testing, cone calorimeter testing (CCT), and thermogravimetric‐Fourier infrared spectrometer (TG‐IR) assessments. It was found that the even coating of WG on the MF foam surface profoundly enhanced the foam's structural integrity. Utilizing the shielding properties of this inorganic layer, the hybrid foam's thermal stability experiences a remarkable augmentation. The peak of heat release rate (pHRR) and the total heat release rate (THR) of the MF foam experienced an impressive reduction of 85.2% and 78.8%, correspondingly. Notably, this advancement is concomitant with a substantial decrease of 39.2% in the total smoke release (TSR) and a notable amelioration in mechanical characteristics. Such developments undeniably broaden their application horizons across diverse domains.
How smart was T. rex? Testing claims of exceptional cognition in dinosaurs and the application of neuron count estimates in palaeontological research
Authors: Caspar Kai R. , Gutiérrez‐Ibáñez Cristián , Bertrand Ornella C. , Carr Thomas , Colbourne Jennifer A. D. , Erb Arthur , George Hady , Holtz Thomas R. , Naish Darren , Wylie Douglas R. , Hurlburt Grant R.
Published: April 2024

Recent years have seen increasing scientific interest in whether neuron counts can act as correlates of diverse biological phenomena. Lately, Herculano‐Houzel (2023) argued that fossil endocasts and comparative neurological data from extant sauropsids allow to reconstruct telencephalic neuron counts in Mesozoic dinosaurs and pterosaurs, which might act as proxies for behaviors and life history traits in these animals. According to this analysis, large theropods such as Tyrannosaurus rex were long‐lived, exceptionally intelligent animals equipped with “macaque‐ or baboon‐like cognition”, whereas sauropods and most ornithischian dinosaurs would have displayed significantly smaller brains and an ectothermic physiology. Besides challenging established views on Mesozoic dinosaur biology, these claims raise questions on whether neuron count estimates could benefit research on fossil animals in general. Here, we address these findings by revisiting Herculano‐Houzel's (2023) work, identifying several crucial shortcomings regarding analysis and interpretation. We present revised estimates of encephalization and telencephalic neuron counts in dinosaurs, which we derive from phylogenetically informed modeling and an amended dataset of endocranial measurements. For large‐bodied theropods in particular, we recover significantly lower neuron counts than previously proposed. Furthermore, we review the suitability of neurological variables such as neuron numbers and relative brain size to predict cognitive complexity, metabolic rate and life history traits in dinosaurs, coming to the conclusion that they are flawed proxies for these biological phenomena. Instead of relying on such neurological estimates when reconstructing Mesozoic dinosaur biology, we argue that integrative studies are needed to approach this complex subject.
Multifunctional (4‐in‐1) Therapeutic Applications of Nickel Thiocyanate Nanoparticles Impregnated Cotton Gauze as Antibacterial, Antibiofilm, Antioxidant and Wound Healing Agent
Authors: Nayak Malay , Sonowal Lidiya , Pradhan Lipi , Upadhyay Anjali , Kamath Prajwal , Mukherjee Sudip
Published: April 2024

The wounds, arises from accidents, burns, surgeries, diabetes, and trauma, can significantly impact well‐being and present persistent clinical challenges. Ideal wound dressings should be flexible, stable, antibacterial, antioxidant and anti‐inflammatory in nature, facilitating a scarless rapid wound healing. Initiatives were taken to create antibacterial cotton fabrics by incorporating agents like antibiotics and metallic nanoparticles. However, due to a lack of multifunctionality, these materials were not highly effective in causing scarless and rapid wound healing. In this article, nickel thiocyanate nanoparticle (NiSCN‐NPs) impregnated cotton gauze wound dressing (NiSCN‐CG) was developed. These nanoparticles were non‐toxic to normal human cell lines till 1 mg/mL dose and did not cause skin irritation in the rat model. Further, NiSCN‐NPs exhibited antimicrobial, antibiofilm and antioxidant activities confirmed using different in vitro experiments. In vivo wound healing studies in rat models using NiSCN‐CG demonstrated rapid scarless wound healing. The nickel thiocyanate impregnated cotton gauze presents a novel approach in scarless wound healing, and as an antimicrobial agent, offering a promising solution for diverse wounds and infections in the future.
Tracking control of a flexible‐link manipulator based on an improved barrier function adaptive sliding mode
Authors: Jing Feng , Ma Caiwen , Wang Fan , Xie Meilin , Feng Xubin , Fan Xiao , Wang Xuan , Liu Peng
Published: April 2024

In this paper, a novel controller designed for robust tracking control of a flexible‐link manipulator operating in the presence of parameter uncertainties and external disturbances within the joint space is introduced. The proposed controller employs an adaptive sliding mode control approach, incorporating an improved barrier function, to ensure that trajectory errors remain within predefined performance bounds. This design enhances the tracking performance without overestimating control‐switching gains. Additionally, a fixed‐time adaptive sliding mode control, featuring a rapid nonsingular terminal sliding mode variable, is introduced to expedite the convergence rate of the system state during the initial stages. The efficacy of the proposed control scheme is established through the Lyapunov method, demonstrating finite‐time convergence of the trajectory error to a specified neighborhood of zero. Experimental validation on a flexible‐link system supports the effectiveness and advantages of the proposed control strategy, as evidenced via comparisons with two existing adaptive control schemes.
An international survey of contemporary practices towards fertility assessment and preservation in patients undergoing radical inguinal orchidectomy for testicular cancer
Authors: Kanthabalan Abi , Emmanuel Anthony , Alexander Cameron , Bhatt Nikita , Chan Vinson , Kalejaiye Odunayo , Narahari Krishna , Kasivisvanathan Veeru , Shabbir Majid
Published: April 2024

Objective

The study aims to assess current international clinician attitudes, practices and barriers towards fertility assessment and preservation in patients undergoing radical inguinal orchidectomy (RIO) for testicular cancer.

Materials and methods

An international online survey of urologists and urologists in training who perform RIO for testicular cancer was developed by the British Association of Urological Surgeons (BAUS) Sections of Andrology and Oncology and the British Urology Researchers in Surgical Training (BURST). The recruitment process used social media and the emailing lists of national urological societies. Responses were collected between 10/02/2021 and 31/05/2021 and stored using password‐protected Research Electronic Data Capture (REDCap) database software. The primary outcome was the proportion of urologists who routinely offer semen cryopreservation prior to RIO. The study was reported according to the Checklist for Reporting Results of Internet E‐Surveys platform.

Results

A total of 393 respondents took part in the online survey; of these, the majority were from the United Kingdom (65.9%), with the remaining international respondents (34.1%) from six different continents, which included 45 different countries. Of the respondents, 57.1% reported that they would routinely offer semen cryopreservation to all patients undergoing RIO for testicular cancer. In addition, 36.0% of urologists routinely performed pre‐operative semen analysis, and 22.1% routinely performed pre‐operative testicular serum hormone profile. Of the respondents, 14.4% performed expedited RIO within 48 h; 31.2% of respondents reported that they considered no delay to RIO to allow for semen cryopreservation to be acceptable.

Conclusions

A significant proportion of international urologists do not offer pre‐operative fertility assessment and preservation in men undergoing RIO for testicular cancer. Surgery is performed in an expedited fashion within 1 week in the majority of patients. Urologists perceive there to be a lack of access and availability to fertility services, and that delay to RIO to allow for fertility preservation is often not acceptable.
Zur Querkrafttragfähigkeit von dünnwandigen Hohlkästen mit unbewehrten Fugen in den Stegen
Authors: Rath Michael , Untermarzoner Franz , Huber Tobias , Kollegger Johann
Published: April 2024

Im Zuge des an der TU Wien in Entwicklung befindlichen LT‐Brückenbauverfahrens (L: Longitudinal, T: Transversal) werden dünnwandige Hohlkästen aus Beton als Längsträger (L) mit Fahrbahnplattenelementen (T) und Ortbeton kombiniert. Aufgrund des Bauablaufs verbleiben unbewehrte Fugen in den Stegen dieser Hohlkästen, während die Boden‐ und Deckplatten aufgrund der Ortbetonschichten durchlaufend bewehrt werden können. Es stellt sich die Frage, wie sich diese Fugenkonstellation auf die Quertragfähigkeit der Hohlkastenträger auswirkt. Um ein grundsätzliches Verständnis zu erlangen, wurden zwei großformatige Versuchskörper, einer mit Fugen in den Stegen und einer ohne, experimentell untersucht. Die Querkrafttragfähigkeit des Trägers mit Fugen entsprach in etwa jener des Trägers ohne Fugen, wodurch es demnach trotz der Fugen möglich war, nennenswerte Querkräfte zu übertragen. Als maßgebend für das Querkrafttragverhalten stellte sich die Fugenöffnung dar, da die an die Fuge angrenzenden Bügel wie eine Aufhängebewehrung agieren. So empfiehlt sich eine lokale Erhöhung der Bügelbewehrung in diesem Bereich. Um die Auswirkungen der Vorspannung, wie im LT‐Verfahren vorgesehen, auf das Tragverhalten zu analysieren, wurden nichtlineare Finite‐Elemente‐Untersuchungen durchgeführt. Es konnte gezeigt werden, dass das Tragverhalten des vorgespannten Trägers mit Fugen jenem des Trägers ohne Fugen weitestgehend entspricht.
Sustainable strategies towards better utilization of synthetic polymers
Authors: Shanthi G. , Beula Isabel J. , Thankachan Rosbin , Premalatha M.
Published: April 2024

The abstract provides an overview of a study focused on analyzing diverse strategies to achieve sustainable utilization of synthetic polymers through effective waste management. The escalating global consumption of synthetic polymers has precipitated a concerning increase in plastic waste and environmental degradation. To address this challenge, novel materials with specified application goals, such as engineered plastic, have been developed and are intended for recycling and reuse. Despite the reuse and recycling, when plastic gets disposed into the environment, the degradation properties of plastics render a direct disposal hazard, posing a significant environmental threat. To mitigate these issues, the concept of replacing specific monomers of engineered synthetic plastics with bio‐alternatives or blending them with other polymers to enhance sustainability and environmental compatibility has emerged. In this study, Acrylonitrile Butadiene Styrene (ABS) plastic is the focal material, and three distinct investigations were conducted. First, replacing ABS plastic's butadiene monomer with natural rubber was explored for its properties and environmental impact. Second, ABS plastic was blended with virgin, recycled, and bio‐alternatives of PET (polyethylene terephthalate) and PVC (polyvinyl chloride) polymers. Lastly, recycled ABS blended with recycled PET and PVC was analyzed for mechanical properties. Comparative assessments of these blends were made based on mechanical properties, carbon emissions, and cost‐effectiveness. The study determined that the r‐ABS/r‐PVC (recycled) blend exhibited the most favorable characteristics for practical application.
Covalent organic frameworks (COFs) as carrier for improved drug delivery and biosensing applications
Authors: Younas Rida , Jubeen Farhat , Bano Nargis , Andreescu Silvana , Zhang Hongxia , Hayat Akhtar
Published: April 2024

Porous organic frameworks (POFs) represent a significant subclass of nanoporous materials in the field of materials science, offering exceptional characteristics for advanced applications. Covalent organic frameworks (COFs), as a novel and intriguing type of porous material, have garnered considerable attention due to their unique design capabilities, diverse nature, and wide‐ranging applications. The unique structural features of COFs, such as high surface area, tuneable pore size, and chemical stability, render them highly attractive for various applications, including targeted and controlled drug release, as well as improving the sensitivity and selectivity of electrochemical biosensors. Therefore, it is crucial to comprehend the methods employed in creating COFs with specific properties that can be effectively utilized in biomedical applications. To address this indispensable fact, this review paper commences with a concise summary of the different methods and classifications utilized in synthesizing COFs. Second, it highlights the recent advancements in COFs for drug delivery, including drug carriers as well as the classification of drug delivery systems and biosensing, encompassing drugs, biomacromolecules, small biomolecules and the detection of biomarkers. While exploring the potential of COFs in the biomedical field, it is important to acknowledge the limitations that researchers may encounter, which could impact the practicality of their applications. Third, this paper concludes with a thought‐provoking discussion that thoroughly addresses the challenges and opportunities associated with leveraging COFs for biomedical applications. This review paper aims to contribute to the scientific community's understanding of the immense potential of COFs in improving drug delivery systems and enhancing the performance of biosensors in biomedical applications.
Synthesized arsenic nanoparticles and their high potential in biomedical applications: A review
Authors: Hosseininasab Seyed Soheil , Naderifar Mahin , Akbarizadeh Majid Reza , Hashemi Nooshin , Ghaderi Mehdi , Pajavand Hamid , Satarzadeh Naghmeh , Dousari Amin Sadeghi
Published: April 2024

Arsenic with the scientific name AS is an element that exists everywhere. It is the fourth among the abundant elements in water, the twelfth in the human body, and the twentieth in the earth's crust. This element exists in sulfide, carbonate, and elemental forms. Different names of arsenic are known as white arsenic (As2O3), yellow arsenic (As2S3), and red arsenic (As4S4). Nowadays, due to its unique properties, arsenic has received much attention from researchers for use in the synthesis of arsenic nanoparticles. According to various studies, arsenic nanoparticles are synthesized by various methods, including biological, physical, and chemical, and it has been shown that the synthetic method used is very important because it has a significant effect on their shape, size, and biological function. Arsenic nanoparticles are among the nanoparticles that have attracted the attention of researchers due to their particle potential as well as their anticancer, antitumor, cytotoxic, and antimicrobial applications. Therefore, the aim of this study is to investigate arsenic nanoparticles biosynthesized by different physical, biological, and chemical methods and their biomedical applications.
Comprehensive review of Transformer‐based models in neuroscience, neurology, and psychiatry
Authors: Cong Shan , Wang Hang , Zhou Yang , Wang Zheng , Yao Xiaohui , Yang Chunsheng
Published: April 2024

This comprehensive review aims to clarify the growing impact of Transformer‐based models in the fields of neuroscience, neurology, and psychiatry. Originally developed as a solution for analyzing sequential data, the Transformer architecture has evolved to effectively capture complex spatiotemporal relationships and long‐range dependencies that are common in biomedical data. Its adaptability and effectiveness in deciphering intricate patterns within medical studies have established it as a key tool in advancing our understanding of neural functions and disorders, representing a significant departure from traditional computational methods. The review begins by introducing the structure and principles of Transformer architectures. It then explores their applicability, ranging from disease diagnosis and prognosis to the evaluation of cognitive processes and neural decoding. The specific design modifications tailored for these applications and their subsequent impact on performance are also discussed. We conclude by providing a comprehensive assessment of recent advancements, prevailing challenges, and future directions, highlighting the shift in neuroscientific research and clinical practice towards an artificial intelligence‐centric paradigm, particularly given the prominence of Transformer architecture in the most successful large pre‐trained models. This review serves as an informative reference for researchers, clinicians, and professionals who are interested in understanding and harnessing the transformative potential of Transformer‐based models in neuroscience, neurology, and psychiatry.
Assessing the use of ChatGPT as a psychoeducational tool for mental health practice
Authors: Maurya Rakesh K. , Montesinos Steven , Bogomaz Mikhail , DeDiego Amanda C.
Published: April 2024

Background

Psychoeducation is an important part of mental health services offered by counsellors. This study used qualitative content analysis to explore ChatGPT, a generative artificial intelligence (AI) tool, as a resource for psychoeducation in the context of mental health.

Method

Researchers created carefully crafted prompts based on common psychoeducational themes provided to clients, covering seven critical areas: depression, anxiety, general health, substance abuse, religious/spiritual issues, lifestyle, routine health habits and interpersonal matters. A coding manual was developed encompassing six criteria to assess the quality of psychoeducational responses of ChatGPT: accuracy, clarity, relevance, empathy, engagement and ethical considerations.

Findings

The reviewers assessed ChatGPT's responses to 21 psychoeducational prompts as accurate, clear and relevant, with an empathic tone in responses to emotionally challenging queries. ChatGPT engages users by offering actionable steps and suggestions. The tool consistently demonstrated ethical considerations by advising users to consult qualified professionals when necessary. The findings suggested ChatGPT's potential as a reliable source of psychoeducation, particularly for individuals with very limited access to mental health resources.

Conclusion

This research underscores ChatGPT's potential as a valuable psychoeducational resource for mental health concerns while emphasising the need for ongoing assessment and user feedback to address its limitations and ensure responsible practice in the dynamic field of AI‐powered mental health support. Future studies should explore user experiences and incorporate diverse perspectives to further enhance our understanding of ChatGPT's utility in real‐world mental health contexts.
A prediction model of nonclassical secreted protein based on deep learning
Authors: Zhang Fan , Liu Chaoyang , Wang Binjie , He Yiru , Zhang Xinhong
Published: April 2024

Most of the current nonclassical proteins prediction methods involve manual feature selection, such as constructing features of samples based on the physicochemical properties of proteins and position‐specific scoring matrix (PSSM). However, these tasks require researchers to perform some tedious search work to obtain the physicochemical properties of proteins. This paper proposes an end‐to‐end nonclassical secreted protein prediction model based on deep learning, named DeepNCSPP, which employs the protein sequence information and sequence statistics information as input to predict whether it is a nonclassical secreted protein. The protein sequence information and sequence statistics information are extracted using bidirectional long‐ and short‐term memory and convolutional neural networks, respectively. Among the experiments conducted on the independent test dataset, DeepNCSPP achieved excellent results with an accuracy of 88.24%, Matthews coefficient (MCC) of 77.01%, and F1‐score of 87.50%. Independent test dataset testing and 10‐fold cross‐validation show that DeepNCSPP achieves competitive performance with state‐of‐the‐art methods and can be used as a reliable nonclassical secreted protein prediction model. A web server has been constructed for the convenience of researchers. The web link is https://www.deepncspp.top/. The source code of DeepNCSPP has been hosted on GitHub and is available online (https://github.com/xiaoliu166370/DEEPNCSPP).
Nickel‐Catalyzed Intramolecular Hydrosilylation of Alkynes: Embracing Conventional and Electrochemical Routes
Authors: Reboli Mathias , Kassamba Seydou , Durandetti Muriel
Published: April 2024

Nickel‐catalyzed intramolecular hydrosilylation can be efficiently achieved with high regio‐ and stereoselectivities through two distinct methodologies. The first approach utilizes a conventional method, involving the reduction of nickel salt (NiBr2‐2,2’‐bipyridine) using manganese metal. The second method employs a one‐step electrochemical reaction, utilizing the sacrificial anode process and NiBr2bipy catalysis. Both methods yield silylated heterocycles in good to high yields through a syn‐exo‐dig cyclization process. Control experiments and molecular electrochemistry (cyclic voltammetry) provided further insights into the reaction mechanism.
Peri‐Alkylated Terrylenes and Ternaphthalenes Building‐Blocks Towards Multi‐Edge Nanographenes**
Authors: Sharma Vikas , Khan Hassan , Walker Michael , Ahmad Hamid , Thanai Anmol , Marszalek Tomasz , Schollmeyer Dieter , Baumgarten Martin , Evans Emrys W. , Keerthi Ashok
Published: April 2024

Since its first synthesis by Clar in 1948, terrylene – a fully connected ternaphthalene oligomer via naphthalene's peri‐positions – has gained special focus within the rylene family, drawing interest for its unique chemical, structural, optoelectronic and single photon emission properties. In this study, we introduce a novel synthetic pathway that enhances the solubility of terrylene derivatives through complete peri‐alkylation, while also facilitating extensions at the bay‐positions. This approach not only broadens the scope of terrylene's chemical versatility but also opens new avenues for developing solution processable novel multi‐edge nanographenes and tailoring electronic energy levels through topological edge structures. Our findings include a comprehensive structural and spectroscopic characterization along with transient absorption spectroscopy and photophysics of both the synthesized peri‐alkylated terrylene and its phenylene‐fused derivative.
Synthesis and Medicinal Applications of N‐Heterocyclic Carbene Complexes Based on Caffeine and Other Xanthines
Authors: Francescato Giulia , Leitão Maria Inês P. S. , Orsini Giulia , Petronilho Ana
Published: April 2024

Xanthines are purine derivatives predominantly found in plants. These include compounds such as caffeine, theophylline, and theobromine and exhibit a variety of pharmacological properties, demonstrating efficacy in treating neurodegenerative disorders, respiratory dysfunctions, and also cancer. The versatile attributes of these materials render them privileged scaffolds for the development of compounds for various biological applications. Xanthines are N‐heterocyclic carbene precursors that combine a pyrimidine and an imidazole ring. Owing to their biological relevance, xanthines have been employed as N‐heterocyclic carbenes in the development of metallodrugs for anticancer and antimicrobial purposes. In this conceptual review, we examine key examples of N‐heterocyclic carbene complexes derived from caffeine and other xanthines, elucidating their synthetic methods and describing their pertinent medicinal applications.
Non‐Covalent Functionalization of Magnetic Carbon Nanotubes with Fmoc Amino Acid‐Modified Polyethylene Glycol
Authors: Sevval Murat Fusun , Güner‐Yılmaz Ö. Zeynep , Bozoglu Serdar , Batirel Saime , Baysak Elif , Hizal Gürkan , Karatepe Nilgun , Seniha Güner Fatma
Published: April 2024

Once dispersion and cytotoxicity issues are resolved, it has been proven that carbon nanotubes (CNTs) have great advantages in biomedical applications due to their unique properties. In this study, the superiority of carbon nanotubes was combined with magnetic targeting strategies, and a solution to the distribution problem in the aqueous media of the resulting CNTs decorated with iron oxide (mCNTs) was sought. A non‐covalent functionalization approach has been utilized to overcome this fundamental drawback of mCNTs. Conjugates of polyethylene glycol monomethyl ether and 9‐ fluorenyl methyl chloroformate (Fmoc) amino acids were used to coat the lateral surfaces of mCNTs, making them more water‐soluble. The selected Fmoc amino acids have different numbers of aromatic rings, which is known to affect the coating efficiency in non‐covalent functionalization and therefore, the dispersion behavior of the CNTs. Their coating yields, dispersion behaviors, magnetism, charge, and size properties have been determined. All coated mCNT samples displayed superparamagnetic behavior. Dispersion tests showed a promise to increase the stability of mCNTs with this approach. Moreover, we demonstrated that the functionalization of mCNTs affects cell viability in a dose‐dependent manner. The main finding of this study is that mCNTs can be successfully functionalized with Fmoc amino acid‐modified polyethylene glycol.
Autohesion Mechanisms at Interfaces Between Random Copolymer Melts: Mesoscopic Simulations with Realistic Coarse‐Grained Models
Authors: Nkepsu Mbitou R. L. , Goujon F. , Dequidt A. , Latour B. , Devémy J. , Martzel N. , Hauret P. , Malfreyt P.
Published: April 2024

The increase in welding time during the interdiffusion of a pair of non reacting random copolymer melts favors the strength rate of healing at the interface. Furthermore, the diffusion kinetic during the interpenetration of copolymer chains across the interface is strongly dependent on molecular weight. In this paper we perform mesoscopic simulations with realistic coarse grain models to study the autohesion mechanism across the interface between slightly entangled styrene‐butadiene random copolymer melts.
The Effect of Spin Relaxation on Magnetic Compass Sensitivity in ErCry4a
Authors: Grüning Gesa , Gerhards Luca , Wong Siu Y. , Kattnig Daniel R. , Solov'yov Ilia A.
Published: April 2024

This study explores the impact of thermal motion on the magnetic compass mechanism in migratory birds, focusing on the radical pair mechanism within cryptochrome photoreceptors. The coherence of radical pairs, crucial for magnetic field inference, is curbed by spin relaxation induced by intra‐protein motion. Molecular dynamics simulations, density‐functional‐theory‐based calculations, and spin dynamics calculations were employed, utilizing Bloch‐Redfield‐Wangsness (BRW) relaxation theory, to investigate compass sensitivity. Previous research hypothesized that European robin's cryptochrome 4a (ErCry4a) optimized intra‐protein motion to minimize spin relaxation, enhancing magnetic sensing compared to the plant Arabidopsis thaliana’s cryptochrome 1 (AtCry1). Different correlation times of the nuclear hyperfine coupling constants in AtCry1 and ErCry4a were indeed found, leading to distinct radical pair recombination yields in the two species, with ErCry4a showing optimized sensitivity. However, this optimization is likely negligible in realistic spin systems with numerous nuclear spins. Beyond insights in magnetic sensing, the study presents a detailed method employing molecular dynamics simulations to assess for spin relaxation effects on chemical reactions with realistically modelled protein motion, relevant for studying radical pair reactions at finite temperature.
Evaluating Polyacrylic Acid as a Universal Aqueous Binder for Ni‐Rich Cathodes NMC811 and Si Anodes in Full Cell Lithium‐ion Batteries
Authors: Boz Buket , Fröhlich Katja , Neidhart Lukas , Molaiyan Palanivel , Bertoni Giovanni , Ricci Marco , De Boni Francesco , Vuksanovic Miljana , Romio Martina , Whitmore Karin , Jahn Marcus
Published: April 2024

Silicon (Si) and silicon/graphite (Si/Gr) composite anodes are promising candidates due to their high theoretical capacity, low operating potential and natural abundance for high energy density Li‐ion batteries. Green electrode production, eliminating organic volatile solvents require advancement of aqueous electrodes. Engineering the binder plays a critical role for improving waterborne electrodes. Lithium substituted polyacrylic acid LiPAA has been demonstrated as a promising binder for Si/Gr anodes and for Ni‐rich cathodes in different cell configurations. LiPAA is utilized to minimize the volume expansion during cycling for Si/Gr anodes. LiPAA is formed in situ during cathode slurry preparation to regulate the pH and dimmish the Li loss. Using advanced characterization techniques, we investigated the slurries, electrodes, and active material reaction with LiPAA and its effect to the cycling performance. Our results indicate that the performance of high Si containing anode is limited by the amount of Si in the electrode. The failure mechanism with respect to high Si content was studied thoroughly. Aqueous processed cathodes with LiPAA binder in combination with Si anodes outperformed NMP based cathodes. Hence, LiPAA was successfully utilized as an active binder for both a high Si containing anode and for a Ni rich cathode.
How PBPK Can Help to Understand Old Drugs and Inform their Dosing in Elderly: Amantadine Case Study
Authors: Shuklinova Olha , Neuhoff Sibylle , Polak Sebastian
Published: April 2024

Amantadine, despite being on the market for 55 years, has several unknown aspects of its pharmacokinetics especially related to the influence of covariates such as age, disease, or interactions linked to amantadine's renal elimination. As amantadine is used in Parkinson's disease and is considered a potential candidate in COVID treatment and other diseases, there is an unmet need for thorough understanding of its pharmacokinetic in special populations, such as the elderly. We aimed to mechanistically describe amantadine pharmacokinetics in healthy subjects and shed some light on the differences in drug behavior between healthy volunteers (18–65 years) and an elderly/geriatric population (65–98 years) using PBPK modeling and simulation. The middle‐out PBPK model includes mechanistic description of drug renal elimination, specifically an organic cation transporter (OCT)2‐mediated electrogenic bidirectional transport (basolateral) and multidrug and toxic compound extrusion (MATE)1‐mediated efflux (apical). The model performance was verified against plasma and urine data reported after single and multiple dose administration in healthy volunteers and elderly patients from 18 independent studies. The ratios of predicted vs. observed maximal plasma concentration and area under the concentration–time curve values were within 1.25‐fold. The model illustrates that renal transporter activity is expected to decrease in healthy elderly compared to healthy volunteers, which is in line with literature proteomic data for OCT2. The model was applied to assess the potential of reaching toxicity‐related plasma concentrations in different age groups of geriatric subjects.
Approaches for Mapping and Analysis of R‐loops
Authors: Mukhopadhyay Pramiti , Miller Henry , Stoja Aiola , Bishop Alexander J. R.
Published: April 2024

R‐loops are nucleic acid structures composed of a DNA:RNA hybrid with a displaced non‐template single‐stranded DNA. Current approaches to identify and map R‐loop formation across the genome employ either an antibody targeted against R‐loops (S9.6) or a catalytically inactivated form of RNase H1 (dRNH1), a nuclease that can bind and resolve DNA:RNA hybrids via RNA exonuclease activity. This overview article outlines several ways to map R‐loops using either methodology, explaining the differences and similarities among the approaches. Bioinformatic analysis of R‐loops involves several layers of quality control and processing before visualizing the data. This article provides resources and tools that can be used to accurately process R‐loop mapping data and explains the advantages and disadvantages of the resources as compared to one another. © 2024 Wiley Periodicals LLC.
Fine mapping and targeted genomic analyses of photoperiod‐sensitive gene (GB_PPD1) in Pima cotton (Gossypium barbadense L.)
Authors: Zhu Linglong , Gowda S. Anjan , Kuraparthy Vasu
Published: April 2024

Cotton grown in the United States are day‐length insensitive annuals and are grown under long‐day summers. Photoperiod sensitivity, present in tropical wild and landraces endemic to the center of origin and diversity, is a major barrier for the introgression of tropical gene pool into the US cotton. Previously, we mapped the major photoperiod response locus Gb_Ppd1 on chromosome D06 of Pima cotton (Gossypium barbadense L.). In the current study, an F2 population of 2112 gametes was used to fine map the Gb_Ppd1 locus. Two sequence‐tagged‐site and nine kompetitive allele‐specific polymerase chain reaction (KASP) markers were developed and the Gb_Ppd1 locus was fine mapped to 1.1 cM region flanked by novel markers 17‐KASP‐8, 17‐KASP‐10, and 15‐PR‐10A. The closely linked markers identified 2.10 Mb region in the G. barbadense genome that contained 18 putative gene sequences. A candidate gene Gbar_D06G014560 showed high homology to VASCULAR PLANT ONE ZINC FINGER PROTEIN 1 involved in photoperiodism in Arabidopsis. We evaluated the diagnostic polymorphisms for the flanking markers on a diversity panel of 91 Pima accessions. These markers would be useful in marker‐assisted selection of photoperiod response in cotton breeding. Further, quantitative gene expression analysis indicated that the CONSTANS (CO)/FLOWERING LOCUS T (FT) system is conserved in the photoperiod response pathway in Pima cotton, while CO and FT are likely not the causal genes underlying flowering time at the Gb_Ppd1 locus. The Gb_Ppd1 gene may be an upstream regulatory sequence in the FT gene pathway that controls photoperiodism in photoperiod‐sensitive cotton by affecting the CO/FT interaction under long‐day‐length conditions.
Perspective on Lignin Conversion Strategies That Enable Next Generation Biorefineries
Authors: Shrestha Shilva , Goswami Shubhasish , Banerjee Deepanwita , Garcia Valentina , Zhou Elizabeth , Olmsted Charles N. , Majumder Erica L.‐W. , Kumar Deepak , Awasthi Deepika , Mukhopadhyay Aindrila , Singer Steven W. , Gladden John M. , Simmons Blake A. , Choudhary Hemant
Published: April 2024

The valorization of lignin, a currently underutilized component of lignocellulosic biomass, has attracted attention to promote a stable and circular bioeconomy. Successful approaches including thermochemical, biological, and catalytic lignin depolymerization have been demonstrated, enabling opportunities for lignino‐refineries and lignocellulosic biorefineries. Although significant progress in lignin valorization has been made, this review describes unexplored opportunities in chemical and biological routes for lignin depolymerization and thereby contributes to economically and environmentally sustainable lignin‐utilizing biorefineries. This review also highlights the integration of chemical and biological lignin depolymerization and identifies research gaps while also recommending future directions for scaling processes to establish a lignino‐chemical industry.
Bursting oscillation characteristics and adaptive high‐order differential feedback controller of doubly fed induction generator system
Authors: Wang Kun , Chen Wei , Wei Zhanhong
Published: April 2024

To address the problem of bursting oscillations in doubly fed induction generator (DFIG) systems under external disturbances, an analysis method based on fast‐slow dynamics and a control strategy based on an adaptive high‐order differential feedback controller (AHODFC) is proposed. The fast‐slow dynamics analysis method was adopted to reveal the formation mechanism of bursting oscillations from the DFIG system owing to the multi‐timescale coupling effect of perturbation, that is, the oscillation is in the form of a bursting oscillation with alternating large‐amplitude oscillation and micro‐amplitude oscillation. A control strategy based on the AHODFC with a high‐order differentiator (HOD) was proposed to address the problem of bursting oscillations in the DFIG system. The control strategy of the AHODFC has smooth control‐rate characteristics, does not depend on the exact mathematical model of the controlled system, and has good applicability and robustness to various types of bursting oscillations caused by different disturbance amplitudes and system parameters. Our simulations verified the feasibility and effectiveness of the proposed method.
Uniplanar printed four‐port MIMO antenna with self‐coupling‐self‐decoupling mechanism
Authors: Swain Jyotiprakash , Mohanty Asutosh , Behera Subhrakanta , Bhowmik Wriddhi
Published: April 2024

The proposed research is primarily investigated with a new methodology of utilizing parasitic constrictors (PCs) as self‐coupling‐self‐decoupling (SCSD) mechanism which has been strategically implemented in multiple‐input multiple‐output (MIMO) antenna design. The design asserts an uniplanar printed four‐port MIMO antenna configuration in a confined footprint of 0.6

0.6

0.015
(
= lowest operating wavelength at 2.9 GHz), where the radiator and reflector act as an effective SCSD invoking spatial diversity. The orthogonally oriented radiators are composed of 4
circular disc with a 45° tilt and cutaway for reducing near‐field condensed currents and improve 10‐dB impedance matching. The antennas are assisted with a uniquely designed coplanar wave guides as SCSD, with rotationally symmetric PC. The PC has coplanar slots and a thin metallic strip that connects to a center‐fed annular disc as intrinsic current neturalizer. A pair of inverted L‐shaped symmetric strips is introduced in the coplanar slots to effectively couple the near‐field currents for self‐induced resonance mechanism as well as self‐decoupled for isolation improvement. To validate the rational counterparts, a prototype antenna has been simulated, fabricated, and experimented to operate from (2.9–5.45) GHz. The potential outcomes show good convergence in simulated and experimental results, with effective 10‐dB IBW, isolation, and diversity parameters, and demonstrate its prospective in C‐band (5G) applications.
Potential impacts of climate change on the geographic distribution of Achillea eriophora DC., a medicinal species endemic to Iran in southwestern Asia
Authors: Noedoost Fariba , Behroozian Maryam , Karami Sahar , Joharchi Mohammad Reza
Published: April 2024

Climate change is considered to rank among the most important global issues affecting species' geographic distributions and biodiversity. Understanding effects of climate change on species can enhance conservation efficacy. In this study, we applied ecological niche modeling (ENM) using maximum entropy (MaxEnt) approaches to predict the potential geographic distribution of Achillea eriophora DC., a medicinal plant species to Iran in southwestern Asia, under current and future climate scenarios. We evaluated potential distributional areas of the species, under two shared socioeconomic pathways (SSP2‐4.5 and SSP5‐8.5) for the period 2041–2060. Most current potential suitable areas were identified for A. eriophora in montane regions. Our results anticipated that the potential distribution of A. eriophora will expand geographically toward higher elevations and northward. However, the species is expected to experience relatively high losses of suitability in its actual habitats under future climate scenarios. Consequently, we recommend regional‐to‐national conservation action plans for A. eriophora in its natural habitats.
Phylogeography and population structure of Lagocephalus spadiceus (Richardson, 1845) (Tetraodontiformes, Tetraodontidae) in the South China Sea
Authors: Xu Hao , Huang Liangliang , Chen Tao , Wang Caiguang , Wu Zhiqiang , Cheng Yanan , Su Qiongyuan , Kang Bin , Yan Yunrong , Zhang Xiuguo
Published: April 2024

The climate fluctuations during the Late Pleistocene significantly influenced the phylogeographic structure and historical dynamics of marine fishes in the marginal seas of the western Pacific Ocean. The puffer fish, Lagocephalus spadiceus, holds substantial nutritional and economic value in the South China Sea. To investigate the demographic history and population structure of the L. spadiceus, the mitochondrial DNA COI and Cyt b gene datasets from 300 individuals across eight populations in the South China Sea were sequenced. Our findings revealed high haplotype diversity (0.874 ± 0.013) and low nucleotide diversity (0.00075 ± 0.00058). The phylogenetic tree and haplotype networks revealed no significant genetic differentiation along the northern coast of South China Sea. Neutrality tests, mismatch distribution analyses, and Bayesian skyline plots suggested that L. spadiceus underwent population expansion during the Late Pleistocene. Both ocean currents and climate change significantly influenced the geographical distribution and genetic population structure of L. spadiceus.
Nickel‐Catalysed syn‐Selective Arylnickelation and Cyclisation of Ketone/Imine‐Tethered Terminal Alkynes with Arylboronic Acids
Authors: Morgan Dáiríne M. , Lam Hon Wai , Guiry Patrick J.
Published: April 2024

Herein we report a syn‐arylnickelative cyclisation with ketone‐ and imine‐tethered terminal alkynes (16 examples) in yields of up to 89 %. The reaction proceeds via a syn‐aryl nickelation of a terminal alkyne followed by cyclisation of the resulting alkenylnickel species onto the ketone or imine. The enantioselective version of this transformation has also been explored with enantioselectivities of up to 83 : 17 er observed.
Advances in triboelectric nanogenerators for self‐powered wearable respiratory monitoring
Authors: Kwak William , Yin Junyi , Wang Shaolei , Chen Jun
Published: April 2024

Triboelectric nanogenerators (TENGs) have recently gained attention as a compelling platform technology for building wearable bioelectronics. Aside from being self‐powered, TENGs are lightweight, low in cost, rich in material choice, comfortable to wear, and increasingly versatile with advances in sensitivity and efficiency. Due to these features, TENGs have become appealing in biomedical sensing applications, especially for human respiration monitoring. A wealth of information can be collected by breath‐induced electrical signals, which are crucial in the analysis of a patient's respiratory condition and the early detection of harmful respiratory‐linked diseases. TENGs have thus been used to continuously collect important respiratory data, from the breathing patterns, flow rate, and intensity of an individual's respiratory cycle to the chemicals that may be present in their breath. This review paper provides an overview of recent developments in TENG‐based wearable respiratory monitoring as well as future opportunities and challenges for respiratory healthcare.
3D printing of hydrogels for flexible micro‐supercapacitors
Authors: Baig Mutawara Mahmood , Khan Suhail Ayoub , Ahmad Hamza , Liang Jin , Zhu Guoyin , Pang Huan , Zhang Yizhou
Published: April 2024

Advances in hydrogel technology have paved the way for novel and valuable capabilities that are being applied to a diverse spectrum of energy storage applications. Hydrogels, originally renowned for their biomedical applications, are now finding translation into the energy storage domain. These versatile materials exhibit promising potential for various energy‐related applications, including but not limited to acting as highly flexible electrolytes, facilitating the development of flexible supercapacitors, and contributing to advancements in energy conversion devices. The tunable properties of hydrogels, their high ion accessibility, and desirable mechanical characteristics position them as promising candidates for enhancing the performance and efficiency of energy storage systems. In this review, we emphasize the integration of hydrogels into flexible micro‐supercapacitors through 3D printing technology, unraveling the charge transport mechanisms inherent in hydrogels. We discuss methods for developing hydrogels with enhanced physicochemical properties, such as improved mechanical strength, flexibility, and charge transport, offering new prospects for next‐generation energy storage devices. With a deeper understanding of gelation chemistry, we showcase significant progress in fabricating stimuli‐responsive, self‐healing, and highly stretchable hydrogels. Furthermore, we present compelling examples highlighting the versatility of hydrogels, including tailorable architectures, conductive nanostructures, 3D frameworks, and multifunctionalities. The application of innovative 3D printing techniques in hydrogel design is poised to yield materials with immense potential in the realm of energy storage.
Understanding and modulating the horizontal orientations and short‐range charge transfer excited states for high‐performance narrowband emitters
Authors: Du Mingxu , Chen Yang , Mai Minqiang , Fan Tianjiao , Jin Qian , Zhang Yuewei , Duan Lian
Published: April 2024

Recently, a novel paradigm of boron‐ and nitrogen‐embedded polycyclic nanographites featuring multiple resonance thermally activated delayed fluorescence (MR‐TADF) has garnered substantial interest due to their extraordinary attributes of efficient narrowband emissions with small full width at half maxima (FWHMs). Despite an array of diverse color tuning strategies, it remains elusive how to effectively manipulate device efficiencies without altering the materials' intrinsic MR‐TADF characteristics. Here, an advanced ‘non‐conjugate fusion’ design methodology was proposed, aimed at dramatically amplifying the horizontal orientations of MR‐TADF emitters while preserving the short‐range charge‐transfer properties. As envisioned, when compared to the classical BCz‐BN mother core, the proof‐of‐concept emitter mICz‐BN achieved an impressively enhanced horizontal dipole ratio (83% vs. 75%) at analogous emission wavelengths (∼486 nm), FWHMs (∼26 nm) and photoluminescence quantum yields (∼93%). Consequently, the external quantum efficiency of the optimized device yielded a performance enhancement of 1.2‐fold (30.5% vs. 25.3%) whilst keeping the spectrum almost unchanged.