bluuebunny/crossref_metadata_2025 huggingface dataset:
Combined Orbital and Cranial Vessel Wall Magnetic Resonance Imaging for the Assessment of Disease Activity in Giant Cell Arteritis
Authors: Rhee Rennie L. , Rebello Ryan , Tamhankar Madhura A. , Banerjee Shubhasree , Liu Fang , Cao Quy , Kurtz Robert , Baker Joshua F. , Fan Zhaoyang , Bhatt Vatsal , Amudala Naomi , Chou Sherry , Liang Rui , Sanchez Marisa , Burke Morgan , Desiderio Lisa , Loevner Laurie A. , Morris Jeffrey S. , Merkel Peter A. , Song Jae W.
Published: January 2024

Objective

Acute visual impairment is the most feared complication of giant cell arteritis (GCA) but is challenging to predict. Magnetic resonance imaging (MRI) evaluates orbital pathology not visualized by an ophthalmologic examination. This study combined orbital and cranial vessel wall MRI to assess both orbital and cranial disease activity in patients with GCA, including patients without visual symptoms.

Methods

Patients with suspected active GCA who underwent orbital and cranial vessel wall MRI were included. In 14 patients, repeat imaging over 12 months assessed sensitivity to change. Clinical diagnosis of ocular or nonocular GCA was determined by a rheumatologist and/or ophthalmologist. A radiologist masked to clinical data scored MRI enhancement of structures.

Results

Sixty‐four patients with suspected GCA were included: 25 (39%) received a clinical diagnosis of GCA, including 12 (19%) with ocular GCA. Orbital MRI enhancement was observed in 83% of patients with ocular GCA, 38% of patients with nonocular GCA, and 5% of patients with non‐GCA. MRI had strong diagnostic performance for both any GCA and ocular GCA. Combining MRI with a funduscopic examination reached 100% sensitivity for ocular GCA. MRI enhancement significantly decreased after treatment (P < 0.01).

Conclusion

In GCA, MRI is a sensitive tool that comprehensively evaluates multiple cranial structures, including the orbits, which are the most concerning site of pathology. Orbital enhancement in patients without visual symptoms suggests that MRI may detect at‐risk subclinical ocular disease in GCA. MRI scores decreased following treatment, suggesting scores reflect inflammation. Future studies are needed to determine if MRI can identify patients at low risk for blindness who may receive less glucocorticoid therapy.
GMOCU: Digital Documentation, Management, and Biological Risk Assessment of Genetic Parts
Authors: Wagner Christoph , Urquiza‐Garcia Uriel , Zurbriggen Matias D. , Beyer Hannes M.
Published: January 2024

The continuous evolution of molecular biology and gene synthesis methods paired with an ever‐increasing potential of synthetic biology approaches and genome engineering toolkits enables the rapid design of genetic bioparts and genetically modified organisms. Although various software solutions assist with specific design tasks and challenges, lab internal documentation and ensuring compliance with governmental regulations on biosafety assessment of the generated organisms remain the responsibility of individual academic researchers. This results in inconsistent and redundant documentation regimes and a significant time and labor burden. GMOCU (GMO documentation) is a standardized semi‐automatic user‐oriented software approach —written in Python and freely available— that unifies lab internal data documentation on genetic parts and genetically modified organisms (GMOs). It automatizes biological risk evaluations and maintains a shared up‐to‐date inventory of bioparts for team‐wide data navigation and sharing. GMOCU further enables data export into customizable formats suitable for scientific publications, official biosafety documents, and the research community.
Multimodal network path optimization based on a two‐stage algorithm in the perspective of sustainable transport development
Authors: Qiao Cong , Niu Ke , Ma Weina
Published: January 2024

The environmental issues brought on by carbon emissions from transport have risen to prominence in recent years. More and more academics are using the multi‐objective path optimization method to solve the multimodal optimization problem from the standpoint of sustainable development in order to address the environmental issues brought on by the transport process. The research proposes a two‐stage method to handle multi‐objective optimization convergence and simplify multimodal transport path optimization. In the first stage, a fuzzy C clustering model is established, and based on the clustering results, the multimodal transport network nodes are identified. In the second stage, a multimodal transport multi‐objective path optimization model is established, and the optimal path is solved using a genetic algorithm. The research method was applied in the Bohai Rim region. Results indicated that the fuzzy C‐clustering method and the genetic method were able to select the optimal node city, thus solving the actual site selection problem of multimodal transportation networks. Using the FCM model, the 86 city nodes were categorized into four types, leading to the establishment of the most proficient multimodal transportation network in the Bohai Rim region. Using a genetic algorithm for optimization, a stable state is reached after 25 iterations. In the validation experiment on path optimization, the cost was reduced by 47.12% compared to the minimum single objective time, and transportation carbon emissions saw a reduction of 28.23%. Similarly, compared to the lowest target for transportation carbon emissions, the cost was reduced by 39.48% and the time was reduced by 38.12%. Compared to the lowest target for transportation carbon emissions, the time was reduced by 32.02% and the carbon emissions were reduced by 19.23%. Notably, the transportation multi‐objective path optimization model showed significant improvement compared to the single‐target model. The research method has been proven to be superior, and can offer the most optimal transportation route guidance for participants in multimodal transportation. Furthermore, it can effectively tackle the issue of node selection convergence and multi‐objective optimization, while also serving as a valuable source of data to support the theoretical advancement of multimodal transportation network path optimization.
Liquid Metal‐Based Biosensors: Fundamentals and Applications
Authors: Jamalzadegan Sina , Kim Sooyoung , Mohammad Noor , Koduri Harshita , Hetzler Zach , Lee Giwon , Dickey Michael D. , Wei Qingshan
Published: January 2024

Biosensors are analytical tools for monitoring various parameters related to living organisms, such as humans and plants. Liquid metals (LMs) have emerged as a promising new material for biosensing applications in recent years. LMs have attractive physical and chemical properties such as deformability, high thermal and electrical conductivity, low volatility, and low viscosity. LM‐based biosensors represent a new strategy in biosensing particularly for wearable and real‐time sensing. While early demonstrations of LM biosensors focus on monitoring physical parameters such as strain, motion, and temperature, recent examples show LM can be an excellent sensing material for biochemical and biomolecular detection as well. In this review, the recent progress of LM‐based biosensors for personalized healthcare and disease monitoring via both physical and biochemical signaling is survey. It is started with a brief introduction of the fundamentals of biosensors and LMs, followed by a discussion of different mechanisms by which LM can transduce biological or physiological signals. Next, it is reviewed example LM‐based biosensors that have been used in real biological systems, ranging from real‐time on‐skin physiological monitoring to target‐specific biochemical detection. Finally, the challenges and future directions of LM‐integrated biosensor platforms is discussed.
Slippery Core‐Sheath Hydrogel Optical Fiber Built by Catalytically Triggered Interface Radical Polymerization
Authors: Zhu Bin , Liu Desheng , Wu Jiayu , Meng Caiye , Yang Xingxing , Wang Yixian , Jia Xin , Jiang Pan , Wang Xiaolong
Published: January 2024

Hydrogel‐based optical waveguides have attracted extensive attention in optogenetics, implantable photomedicine, and biosensors due to their excellent biocompatibility and tissue‐like modulus in compared with traditional SiO2‐based rigid optical fibers. However, the existing ion‐induced supramolecular assembly of alginate‐based hydrogel optical fibers commonly lack of long‐term stability due to poor mechanical property accompanied with swollen. In this paper, a novel catalytic surface polymerization method is developed based on a redox reaction mechanism to in situ grow robust and slippery cladding layer on a core poly(ethylene glycol) dimethacrylate (PEGDA) hydrogel fiber by using the alternative H‐bonding poly(N ‐acryloyl glycinamide) (PNAGA) hydrogels. The resultant hydrogel optical fiber with core‐cladding heterogeneous structure can achieve the desirable total reflection condition, leading to good light transmission and low light loss. The PNAGA cladding with robust H‐bonding network endows the hydrogel optical fiber with high stability and outstanding lubrication in humid environment. More importantly, the hydrogel optical fiber possesses good tissue‐like mechanical performance together with excellent biocompatibility, which shows the great advantages for biomedical applications in compared with traditional glass optical fibers. This work will broaden implantable hydrogel optical fibers in material design and structure processibility, promoting the use of hydrogel‐based optical fibers in various applications.
Reversible Elastomer–Fluid Transitions for Metamorphosic Robots
Authors: Yang Yang , Yuan Sishen , Ren Hongliang
Published: January 2024

Endowing robots with reversible phase transition ability, especially between elastomer and fluid states, can significantly broaden their functionality and applicability. Limited attempts have been made to realize the reversible elastomer–fluid transition. Existing phase transition materials in robotics have over‐hard (≈4 GPa) or over‐soft (≈4 kPa) stiffness in the solid states, which should be further investigated to perform more compliant motions. To address these challenges, a reversible elastomer–fluid transition mechanism  enabled by magnetically induced hot melt materials (MIMMs) is presented. The transition principle is explained and material characterizations are conducted. MIMMs‐based metamorphosic robots endow self‐metamorphosing abilities, such as self‐healing, spatial reshaping, self‐division/assembly, and additive manufacturability. When interacting with external environments, MIMMs‐based robots can perform further multifunctional abilities, such as collaborations for structure repairs, swimming by symbiosis with external objects, flowing through a narrow terrain by transiting to fluid, and working with elastomeric structures for stiffness‐variable fluid soft actuators. The proposed elastomer–fluid transitions open a new path for robots to generate more flexible and metamorphosic motions, thereby addressing the cross‐phase transformation challenges that soft robots face.
Current Progress of Anode‐Free Rechargeable Sodium Metal Batteries: Origin, Challenges, Strategies, and Perspectives
Authors: Hu Zewei , Liu Liyang , Wang Xin , Zheng Qingqing , Han Chao , Li Weijie
Published: January 2024

Anode‐free sodium metal batteries (AFSMBs) as one new battery configuration, have attracted more attention in recent years and considered as the promising next‐generation energy storage systems, owing to the advantages of high theoretical energy density, high safety, cost‐saving, and simplified fabrication process. The practical application of AFSMBs, however, is impeded by their poor cycle life arising from the low coulombic efficiency (CE), the growth of metal dendrite, and unstable solid electrolyte interphase (SEI). Recently, some works are reported to dissolve the above‐mentioned issues. In this review, it provides a comprehensive summary of AFSMBs including their origin, mechanism, advantages, challenges, strategies, and perspectives. First, the intrinsic issues of conventional sodium metal batteries are summarized as safety concerns and manufacturing difficulty, which is the background of promoting AFSMBs’ birth. Subsequently, the mechanism, construction requirement, advantages, and challenges of AFSMBs are discussed. Furthermore, the strategies for improving AFSMBs performance in terms of the current collector, electrolyte, and protocols, are summarized based on an extensive literature survey. Finally, the summary and outlook on this emerging field are further discussed briefly.
Self‐Cleaning Perovskite Single Crystals Fabricated with Bis(trifluoromethylsulfonyl)imide Derived Ionic Liquid Toward High‐Performance Photodetection
Authors: Gao Aijing , Chen Yu , Li Zining , Gu Kai , Sun Shipei , Zhong Haizheng , Sun Jian
Published: January 2024

Surface defects are crucial to perovskite single crystals (SCs) for versatile optoelectronic applications, whereas suffers from the intricate post‐treatments and unsatisfactory reproducibility within solution growth strategy due to the residue solvent corrosion and adsorbed precursors deposition. Here, an ionic liquid, 1‐butyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide (BMITFSI) is demonstrated, assisted solution growth approach for fabricating high‐quality self‐cleaning perovskite single crystals with no need for any post‐treatment. Benefiting from the in situ assembling in crystalline surface, BMITFSI can effectively decrease the crystallographic trap density by simultaneously introducing the self‐cleaning effect and optimizing the crystalline growth process. Particularly, as fabricated MAPbI3 single crystal exhibits an impressive photodetection performance with a specific detectivity of 2.83 × 1012 Jones in visible‐IR spectrum and a sensitivity of 7.24 × 104 µC Gyair−1 cm−2 in X‐ray detection, which is as good as the conventionally fabricated crystal with elaborate post‐treatments. Based on the chemical composition independent universality, this work paves an easy but efficient route to improve the current crystallization methodology toward high‐quality perovskite SCs fabrication.
Large‐Area Fabrication of Hexaazatrinaphthylene‐Based 2D Metal‐Organic Framework Films for Flexible Photodetectors and Optoelectronic Synapses
Authors: Song Jiajun , Liu Chun‐Ki , Piradi Venkatesh , Chen Changsheng , Zhu Ye , Zhu Xunjin , Li Li , Wong Wai‐Yeung , Yan Feng
Published: January 2024

2D conjugated metal‐organic frameworks (c‐MOFs) have emerged as promising materials for (opto)electronic applications due to their excellent charge transport properties originating from the unique layered‐stacked structures with extended in‐plane conjugation. The further advancement of MOF‐based (opto)electronics necessitates the development of novel 2D c‐MOF thin films with high quality. Cu‐HHHATN (HHHATN: hexahydroxyl‐hexaazatrinaphthylene) is a recently reported 2D c‐MOF featuring high in‐plane conjugation, strong interlayer π–π stacking, and multiple coordination sites, while the production of its thin‐film form has not yet been reported. Herein, large‐area Cu‐HHHATN thin films with preferential orientation, high uniformity, and smooth surfaces are realized by using a convenient layer‐by‐layer growth method. Flexible photodetectors are fabricated, showing broadband photoresponse ranging from UV to short‐wave infrared (370 to 1450 nm). The relatively long relaxation time of photocurrent, which arises from the trapping of photocarriers, renders the device's synaptic plasticity similar to that of biological synapses, promising its use in neuromorphic visual systems. This work demonstrates the great potential of Cu‐HHHATN thin films in flexible optoelectronic devices for various applications.
2D Multiferroics in As‐Substituted Bilayer α‐In2Se3 with Enhanced Magnetic Moments for Next‐Generation Nonvolatile Memory Device
Authors: Wang Zhikuan , Xu Ge , Jiang Xinxin , Yang Lei , Gao Quan , Li Chong , Li Dongmei , Liu Desheng , Cui Bin
Published: January 2024

Searching for multiferroic materials with ferromagnetic (FM) and ferroelectric (FE) properties holds promise for ultra‐high‐density and low‐energy‐consumption memory device applications, but 2D materials with both properties are rare. Herein, a general strategy to achieve nonvolatile electric field control of magnetism in the bilayer (BL) α‐In2Se3 by hole doping is proposed. By first‐principles calculations, it is demonstrated that hole doping can induce robust ferromagnetism in the bilayer α‐In2Se3 due to its unique flat Mexican‐hat‐shape valence band structure. Such band edges cause van Hove singularities (VHS), and proper hole doping can lead to time‐reversal symmetry breaking. The bilayer α‐In2Se3 exhibits ferromagnetism and ferroelectricity within a wide range of doping concentrations, resulting in an unexpected multiferroic phase. Furthermore, when the electrical polarization of α‐In2Se3 flips from downward to upward, it becomes non‐magnetic (NM) from ferromagnetic states in the As‐substituted bilayer α‐In2Se3, which can work as a nonvolatile magnetic storage unit. Remarkably, the As‐substituted bilayer α‐In2Se3 exhibits an enhanced magnetic moment of 1.2 μB per AsSe due to substantial charge transfer across the interface. Notably, the mechanism of electrically controlled magnetism is elucidated as the coupling among the Mexican‐hat‐like dispersion, ferromagnetism, and ferroelectricity. The findings offer a promising strategy for electrical writing and the magnetic reading memory device.
Bidentate Ru(II)‐NC Complexes as Catalysts for Transfer Hydrogenation of Ketones with Ethanol
Authors: Li Yufei , Lian Shuang , Wang Jiku , Gong Dawei
Published: January 2024

In this study, we developed a bidentate Ru(II)‐NC‐catalyzed transfer hydrogen reaction of ketones using ethanol (EtOH) as the hydrogen source under weak base conditions. The control experiments suggested that the reaction proceeded via a Ru‐H mechanism, yielding ethyl acetate as the only byproduct. The deuterium‐labeling experiments showed that hydrogen evolved from the CH2 and OH groups. These results provide a new weak base system for the transfer hydrogen reaction of ketones using EtOH as the hydrogen donor.
Resolving the Origins of Superior Cycling Performance of Antimony Anode in Sodium‐ion Batteries: A Comparison with Lithium‐ion Batteries
Authors: Shao Ruiwen , Sun Zhefei , Wang Lei , Pan Jianhai , Yi Luocai , Zhang Yinggan , Han Jiajia , Yao Zhenpeng , Li Jie , Wen Zhenhai , Chen Shuangqiang , Chou Shu‐Lei , Peng Dong‐Liang , Zhang Qiaobao
Published: January 2024

Alloying‐type antimony (Sb) with high theoretical capacity is a promising anode candidate for both lithium‐ion batteries (LIBs) and sodium‐ion batteries (SIBs). Given the larger radius of Na+ (1.02 Å) than Li+ (0.76 Å), it was generally believed that the Sb anode would experience even worse capacity degradation in SIBs due to more substantial volumetric variations during cycling when compared to LIBs. However, the Sb anode in SIBs unexpectedly exhibited both better electrochemical and structural stability than in LIBs, and the mechanistic reasons that underlie this performance discrepancy remain undiscovered. Here, using substantial in situ transmission electron microscopy, X‐ray diffraction, and Raman techniques complemented by theoretical simulations, we explicitly reveal that compared to the lithiation/delithiation process, sodiation/desodiation process of Sb anode displays a previously unexplored two‐stage alloying/dealloying mechanism with polycrystalline and amorphous phases as the intermediates featuring improved resilience to mechanical damage, contributing to superior cycling stability in SIBs. Additionally, the better mechanical properties and weaker atomic interaction of Na−Sb alloys than Li−Sb alloys favor enabling mitigated mechanical stress, accounting for enhanced structural stability as unveiled by theoretical simulations. Our finding delineates the mechanistic origins of enhanced cycling stability of Sb anode in SIBs with potential implications for other large‐volume‐change electrode materials.
Toward Memristive Phase‐Change Neural Network with High‐Quality Ultra‐Effective Highly‐Self‐Adjustable Online Learning
Authors: Lim Kian‐Guan , Go Shao‐Xiang , Tan Chun‐Chia , Jiang Yu , Cai Kui , Chong Tow‐Chong , Elliott Stephen R. , Lee Tae‐Hoon , Loke Desmond K.
Published: January 2024

Memristive hardware with reconfigurable conductance levels are leading candidates for achieving artificial neural networks (ANNs). However, owing to difficulties in device character design and circuit combination, the ability to perform complicated online‐learning tasks on a memristive network is not well understood. Here, tandem (T) material states are harnessed in a phase‐change memory (PCM) element, i.e., the primed‐amorphous state and the partial‐crystallized state, by utilizing an impetus‐and‐consequent pair pulse through a large degree of configurational ordering, and illustrate the development of an integrated system for achieving in‐memory computing and neural networks (NNs). A correct classification of 96.1% of 10,000 separate test images from the conventional Modified‐National‐Institute‐of‐Standards‐and‐Technology (MNIST) database in the tandem neural‐network (T‐NN) model is achieved, as well as image recognition for 28×28‐pixel pictures. The T‐NN configuration exhibits an in situ learning, with 50% of the elements stuck in the low‐conductance state, and at the same time, maintains an identification accuracy of ≈90%. The structural origin of the large degree of configurational‐ordering‐enhanced improvement in the extent of the conductance uniformity in the T‐based memristive element is revealed by theoretical studies. This work opens the door for attaining a widely relevant hardware system capable of performing artificial intelligence tasks with a large power‐time efficacy.
Fuzzy observer design for sampled nonlinear systems with measurement uncertainty
Authors: Zhao Chong , Zhou Fan , Shen Yanjun
Published: January 2024

In this paper, novel fuzzy observers are designed for a class of nonlinear systems with sampled outputs and unknown measurement noises. Firstly, sufficient conditions are given to ensure that a sampled‐data nonlinear system is ultimately uniformly bounded (UUB). Secondly, an output filtering transformation is taken. Then, an augmented nonlinear system is obtained. The sampled output and the measurement noise are transformed into the state equation of the augmented nonlinear system. Thirdly, an augmented observer is constructed by applying a fuzzy logic system (FLS) to approximate the unknown measurement noise. Sufficient conditions are derived by using a suitable Lyapunov–Krasovskii generalized function, such that the observation error is UUB. Finally, the effectiveness of the proposed method is verified by a numerical simulation example.
Computer‐directed rational design enhanced the thermostability of carbonyl reductase LsCR for the synthesis of ticagrelor precursor
Authors: Xu Shen‐Yuan , Chu Rong‐Liang , Liu Hua‐Tao , Weng Chun‐Yue , Wang Ya‐Jun , Zheng Yu‐Guo
Published: January 2024

Carbonyl reductases are useful for producing optically active alcohols from their corresponding prochiral ketones. Herein, we applied a computer‐assisted strategy to increase the thermostability of a previously constructed carbonyl reductase, LsCRM4 (N101D/A117G/F147L/E145A), which showed an outstanding activity in the synthesis of the ticagrelor precursor (1S)‐2‐chloro‐1‐(3,4‐difluorophenyl)ethanol. The stability changes introduced by mutations at the flexible sites were predicted using the computational tools FoldX, I‐Mutant 3.0, and DeepDDG, which demonstrated that 12 virtually screened mutants could be thermally stable; 11 of these mutants exhibited increased thermostability. Then a superior mutant LsCRM4‐V99L/D150F was screened out from the library that was constructed by iteratively combining the beneficial sites, which showed a 78% increase in activity and a 17.4°C increase in melting temperature compared to LsCRM4. Our computer‐assisted design and combinatorial strategy dramatically increased the efficiency of thermostable enzyme production.
Transition metal dichalcogenide quantum dots: Synthesis, properties, and applications for electrochemistry, energy storage, and solar cells
Authors: Lee Hoon Ju , Yang Weiguang , Shin Hyeon Suk
Published: January 2024

Atomically thick two‐dimensional transition metal dichalcogenides (TMDs) have been extensively studied as optoelectronic materials because of their distinctive electronic structures and outstanding photonic and catalytic properties. In particular, when the size of TMDs are decreased to the quantum scale, they possess wider bandgaps and higher surface‐to‐volume ratios with more active edge sites per unit mass. Hence, they are promising for use in sensor, battery, and electrocatalytic applications. In this study, we briefly review the various popular synthesis methods of TMD quantum dots (QDs) from top‐down and bottom‐up approaches. Then, we summarize the optical, electronic, and catalytic properties of TMD QDs. Furthermore, recent progress on electrochemistry, energy storage, and solar cell applications of TMD QDs is summarized in detail. Finally, we summarize current research bottlenecks of TMD QDs and discuss potential avenues for future research.
Nanoscale characterization of the solid electrolyte interphase and lithium growth by atomic force microscopy
Authors: He Zixu , Li Wanxia , Chen Yawei , Huang Fanyang , Jie Yulin , Li Xinpeng , Cao Ruiguo , Jiao Shuhong
Published: January 2024

The complex growth behavior of lithium (Li) metal has posed significant challenges in gaining an understanding of the operational mechanisms of lithium batteries. The intricate composition and structure of the solid electrolyte interphase (SEI) have added layers of difficulty in characterizing the dynamic and intricate electrochemical processes involved in lithium metal anodes. Real‐time observation of Li metal growth has particularly been challenging. Fortunately, atomic force microscopy (AFM) has emerged as a powerful tool, offering invaluable in situ and nanoscale insights into the interface. Its unique contact detection method, remarkably high Z sensitivity, diverse operating modes, and ability for real‐time detection during battery operation make AFM a crucial asset. This review aims to comprehensively explore recent advances in AFM application for studying lithium battery anodes. It particularly focuses on examining the formation process and various properties of the solid electrolyte interphase in lithium batteries. In addition, here, we consolidate and evaluate the existing literature pertaining to AFM‐based research on the nucleation, deposition, and stripping processes of lithium metal. The objective is to highlight the growth mechanism of lithium metal and elucidate the factors influencing its growth.
Reviving spent lithium‐ion batteries: The advancements and challenges of sustainable black mass recovery
Authors: Ran Yunjia , Yoon Songhak , Jöckel Dennis M. , Meles Neguse Samuel , Baek Sungho , Widenmeyer Marc , Balke‐Grünewald Benjamin , Weidenkaff Anke
Published: January 2024

Ideally, once batteries reach their end‐of‐life, they are expected to be collected, dismantled, and converted into black mass (BM), which contains significant amounts of valuable metals. BM can be regarded as a sort of urban mine, where recyclers extract and reintroduce the materials into new battery manufacturing. Focusing on BM, this article discusses the necessity of BM recovery and current recycling situations. Although the benefits of recycling are widely acknowledged, many challenges and issues remain. The BM market is still in its infancy and relevant regulatory frameworks need to be updated with respect to the widespread use and advancement of lithium‐ion batteries. Current BM producing and processing technologies are gaining momentum and still have room for large improvements in terms of economic feasibility and environmental footprint. Finding solutions for these challenges in the end requires efforts from both researchers and industrial stakeholders with growing interests and long‐term patient engagement. Battery regulations and legal support are highly anticipated for industries to keep high levels of commitment to long‐term investments.
Regeneration of graphite from spent lithium‐ion batteries as anode materials through stepwise purification and mild temperature restoration
Authors: Ji Shaowen , Zhang Anlong , Hua Weiming , Yan Shuxuan , Chen Xiangping
Published: January 2024

Graphite is one of the most widely used anode materials in lithium‐ion batteries (LIBs). The recycling of spent graphite (SG) from spent LIBs has attracted less attention due to its limited value, complicated contaminations, and unrestored structure. In this study, a remediation and regeneration process with combined hydrothermal calcination was proposed to remove different impurities as value‐added resources from SG. This study focuses on the application of different removal methods for different impurity metals by hydrothermal and acid leaching under different conditions for the removal of Cu, Li, Co, Mn, and Ni from SG. Then, mild‐tempreture calcination of SG was performed to remove residual organic compounds. The regenerated graphite (RG) was found to have a better morphology structure and increased pore volume, which is more favorable for the embedding and desorption of lithium (Li) in graphite. In terms of electrochemical performance, the first discharge‐specific capacity of RG at 0.5 C is 359.40 mAh/g, with a retention of 353.49 mAh/g after 100 cycles (retention rate of 98.36%). This study can be a green and efficient candidate for the regeneration of graphite from spent lithium‐ion batteries as anode material by reduced restoration temperature, with different metal resources as by‐products.
Supporting adolescents' leisure time physical activity in low‐income areas: A qualitative systematic review of participant, parent and stakeholder perspectives on family and community interventions
Authors: Simonsen Camilla Bakkær , Egilstrød Barbara , Overgaard Charlotte , Agergaard Sine
Published: January 2024

In low‐income communities, there is often a lack of resources and facilities for adolescents to engage in organized sports and leisure time physical activity. Therefore, different intervention strategies have been applied to promote physical activity. Yet, a systematic overview of the experiences of those involved in the interventions is lacking. Thus, the purpose of this qualitative systematic review was to synthesize participating adolescents', their parents' and other stakeholders' perspectives on family and/or community interventions that seek to support adolescents' leisure time physical activity in low‐income areas. Five databases were searched using PIICo (P [population], I [intervention], I [phenomena of interest], and Co [context]) to operationalize the review question. Sixteen studies met the inclusion criteria. Through a thematic synthesis inspired by Thomas and Harden, six themes were constructed: (1) developing relationships with a trustworthy adult coach, (2) meeting an inclusive approach: ‘A place for everyone’, (3) forming new friendships through fun sports activities, (4) receiving support through free services, (5) experiencing the neighbourhood as unsafe and (6) challenging life circumstances for adolescents' participation. The findings showed that coaches and other programme staff are significant for adolescents' positive experiences of the intervention and continuous participation. Furthermore, mutual trust, respect and coaches utilizing inclusive approaches were significant to the development of social bonds between peers and their coaches. However, life circumstances and the experience of an unsafe neighbourhood impacted the adolescents' attendance negatively. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Structures and Tumor Cell Lines Proliferation Activities of Triterpenes Isolated from Astilbe grandis
Authors: Shao Yuanling , Xu Chensen , Li Qing , Zhang Yu , Cai Zhuoer , Yu Haolin , Gu Minmin , Su Yunyun , Han Hongping , Liao Zhixin
Published: January 2024

A total of seven compounds, including four triterpene acids and three triterpene lactones, were isolated from the ethanolic extract of the roots of Astilbe grandis Stapf ex Wils. Two of the triterpene lactones (1–2) were never reported before and compounds 3–5 were isolated for the first time from the plant. The structures of these compounds were all identified by spectroscopic analysis. Compounds 1–2 were analyzed by 2D NMR and their absolute configurations were determined using experimental CD in comparison with calculated ECD values. The structure of compound 1 was also further confirmed by single crystal X‐ray diffraction analysis. The cytotoxicity of compounds 1–7 on A549, Caco‐2, H460 and Skov‐3 tumor cells were all evaluated using CCK‐8. They all exhibited positive inhibitory effects on Caco‐2 tumor cells with IC50 less than10 μM, while the inhibitory effects on H460 tumor cells were more moderate. Unfortunately, they displayed little apparent cytotoxicity to the other two types of cells.
Investigating Protein Binding with the Isothermal Ligand‐induced Resolubilization Assay
Authors: Prout‐Holm Riley A. , van Walstijn Cerissa C. , Hitsman Alana , Rowley Michael J. , Olsen Jonas E. , Page Brent D. G. , Frankel Adam
Published: January 2024

Target engagement assays typically detect and quantify the direct physical interaction of a protein of interest and its ligand through stability changes upon ligand binding. Commonly used target engagement methods detect ligand‐induced stability by subjecting samples to thermal or proteolytic stress. Here we describe a new variation to these approaches called Isothermal Ligand‐induced Resolubilization Assay (ILIRA), which utilizes lyotropic solubility stress to measure ligand binding through changes in target protein solubility. We identified distinct buffer systems and salt concentrations that compromised protein solubility for four diverse proteins: dihydrofolate reductase (DHFR), nucleoside diphosphate‐linked moiety X motif 5 (NUDT5), poly [ADP‐ribose] polymerase 1 (PARP1), and protein arginine N‐methyltransferase 1 (PRMT1). Ligand‐induced solubility rescue was demonstrated for these proteins, suggesting that ILIRA can be used as an additional target engagement technique. Differences in ligand‐induced protein solubility were assessed by Coomassie blue staining for SDS‐PAGE and dot blot, as well as by NanoOrange, Thioflavin T, and Proteostat fluorescence, thus offering flexibility for readout and assay throughput.
Chemo‐Enzymatic Derivatization of Glycerol‐Based Oligomers: Structural Elucidation and Potential Applications
Authors: Raboni Francesco , Galatini Andrea , Banfi Luca , Riva Renata , Pellis Alessandro
Published: January 2024

Switching from oil‐based to bio‐based feedstocks to ensure the green transition to a sustainable and circular future is one of the most pressing challenges faced by many industries worldwide. For the cosmetics and personal and house care industries there is a strong drive to accelerate this transition from the customers that starts favoring the purchase of naturally derived and bio‐degradable products over the traditionally available products. In this work we developed a series of fully biobased macromolecules constituted of a glycerol‐based oligoester backbone. Based on the subsequent derivatization with fatty acids or peptides, the resulting products may find application as emulsifiers, wetting agents, and potential vectors for the delivery of bioactive peptides. All steps of the resulting macromolecules were conducted following the green chemistry principles with no toxic or environmentally damaging compounds that were used in the overall production process.
Co‐Pyrolysis of a Binary Blend of Solid Biowastes in a Fixed‐Bed Reactor for Bio‐Oil and Carbon Adsorbent Production
Authors: Saleh Luban A. , Al-Layla Neam M. T. , Saeed Sara K. , Altamer Mawra H. , Fadhil Abdelrahman B.
Published: January 2024

The essential objective of this work was to co‐pyrolyze a binary mixture of date and cherry seeds in a fixed‐bed reactor. The experimental variables influencing the output of products, such as the pyrolysis temperature, pyrolysis duration, particle size, and heating rate, were optimized. The maximum liquid fraction yield (55.55 % with a bio‐oil yield of 29.70 %) was attained at 500 °C for 60 min at a heating rate of 40 °C min−1 and a particle size of 0.25 mm. The Fourier transform infrared and gas chromatography‐mass spectrometry results revealed that the bio‐oil was predominantly composed of oxygenated hydrocarbons, primarily higher acids (52.05 %), esters (23.67 %), and phenols (13 %). Biochar was converted into activated carbon, which possessed a Brunaer‐Emmett‐Teller surface area of 1055.55 m2g−1. The amorphous structure of this carbon was confirmed by field emission‐scanning electron microscopy and X‐ray diffraction measurements.
Characterization and In Vitro Behavior of PEO Coated Mg Modified with Antibacterial Ag(I) and Cu(II) Complexes
Authors: Tsimafeyeva Kseniya A. , Starykevich Maksim , Snihirova Darya , Blawert Carsten , Scharnagl Nico , Schuster Anke , Gavras Sarkis , Luthringer‐Feyerabend Bérengère J. C. , Zheludkevich Mikhail L.
Published: January 2024

The use of Mg‐based biomaterials with a number of their advantageous properties are overshadowed by uncontrollable metal corrosion. Moreover, the use of implants goes alongside with the threat of pathogens‐associated complications. In this study, PEO coated Mg biomaterial loaded with antibacterial Ag(I) and Cu(II) complexes is produced and tested to meet both appropriate protective characteristics as well as sufficient level of antibacterial activity. To achieve a suitable level of anticorrosion protection phosphate and fluoride‐phosphate electrolytes are used in the PEO process. Investigation of the surface thickness and morphology done by means of cross‐section analysis and scanning electron microscopy (SEM), as well as electrochemical impedance spectroscopy (EIS) assay show precedence of the fluoride containing PEO coating and make it the material of choice for further modification with Ag(I) and Cu(II) complexes. The presence of the complexes on the PEO surface is confirmed by energy dispersive X‐ray spectroscopy (EDX). X‐ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and glow discharge optical emission spectroscopy (GDOES) are used to estimate the complexes’ chemical state and depth of penetration in the coating surface. Based on the results of antibacterial assay, the modified coatings are found to be active against both Gram‐positive and Gram‐negative bacteria.
Plasma Technology for Advanced Electrochemical Energy Storage
Authors: Liang Xinqi , Liu Ping , Qiu Zhong , Shen Shenghui , Cao Feng , Zhang Yongqi , Chen Minghua , He Xinping , Xia Yang , Wang Chen , Wan Wangjun , Zhang Jun , Huang Hui , Gan Yongping , Xia Xinhui , Zhang Wenkui
Published: January 2024

“Carbon Peak and Carbon Neutrality” is an important strategic goal for the sustainable development of human society. Typically, a key means to achieve these goals is through electrochemical energy storage technologies and materials. In this context, the rational synthesis and modification of battery materials through new technologies play critical roles. Plasma technology, based on the principles of free radical chemistry, is considered a promising alternative for the construction of advanced battery materials due to its inherent advantages such as superior versatility, high reactivity, excellent conformal properties, low consumption and environmental friendliness. In this perspective paper, we discuss the working principle of plasma and its applied research on battery materials based on plasma conversion, deposition, etching, doping, etc. Furthermore, the new application directions of multiphase plasma associated with solid, liquid and gas sources are proposed and their application examples for batteries (e. g. lithium‐ion batteries, lithium‐sulfur batteries, zinc‐air batteries) are given. Finally, the current challenges and future development trends of plasma technology are briefly summarized to provide guidance for the next generation of energy technologies.
Empowering energy‐water nexus with cutting‐edge MnS2:CoS:Al2S3 thin film deposited through physical vapour deposition
Authors: Gul Mahwash Mahar , Ahmad Khuram Shahzad , Thomas Andrew Guy , Tighezza Ammar Mohamed
Published: January 2024

The objective of this study is to thoroughly investigate the synthesis and application of a thin film MnS2:CoS:Al2S3. To produce the thin film, diethyldithiocarbamate as a source of sulphur through a technique called physical vapour deposition was utilized. A wide range of analytical techniques were used to examine the structural, morphological, and optical properties of the fabricated material. X‐ray diffraction (XRD) analysis revealed the crystallite size 26.4 nm with a crystallinity of 77%. The optical properties determined the band gap energy to be 4.02 eV. Cabbage‐like assemblies were confirmed through scanning electron microscopy (SEM). X‐ray photoelectron spectroscopy unveiled distinct core level peaks associated with Mn 2p, Al 2p, Co 2p, and S 2p. To evaluate the electrochemical properties of the material, voltammetry measurements were conducted. The results from these experiments revealed an exceptional specific capacitive performance with a value of 792.6 Fg−1. This outstanding performance, coupled with the notable stability of the thin film during multiple cycles, positions it as a highly promising candidate for various energy storage applications. Furthermore, an extensive investigation was carried out to assess the photocatalytic capabilities of the fabricated material. Its efficiency in degrading different environmental pollutants was carefully evaluated.
Feroxyhyte – from synthesis and characterization to application
Authors: Wiśniewska Małgorzata , Wawrzkiewicz Monika , Urban Teresa , Chibowski Stanisław , Rzepa Grzegorz , Hałabuza Justyna , Bajda Tomasz
Published: January 2024

Feroxyhyte (δ‐FeOOH) was synthesized and characterized using X‐ray diffractometry (XRD), simultaneous thermal analysis (STA), scanning electron microscopy coupled with energy dispersive X‐ray spectroscopy (SEM‐EDS), and low‐temperature nitrogen adsorption‐desorption measurements. Its potential application as adsorbent of an anionic and cationic dyes such as C.I. Acid Violet 1 (AV1) and C.I. Basic Blue 3 (BB3) was investigated by determining the adsorption capacities based on the Langmuir (36.6 mg/g for AV1 and 187 mg/g for BB3), Freundlich and Dubinin‐Radushkevich isotherm models. Adsorption of AV1 and BB3 by δ‐FeOOH drops with the presence of additives such as cationic and anionic surfactants (CTAB, SDS) and ionic polymers (PAA, PEI). The surface and electrokinetic properties of examined suspensions were also described. They include determination of the solid surface charge density and the zeta potential, as well as values of point of zero charge and isoelectric point of feroxyhyte particles without and with adsorbed layers of organic substances. Their analysis made possible to propose the most probable structure of electrical double layer formed at the iron mineral/aqueous solution interface.
A ReaxFF Potential for Modeling Organic Matter Degradation with Oxybromine Oxidants
Authors: Hur Jaewoong , Abousleiman Younane N. , Hull Katherine L. , Qomi Mohammad Javad Abdolhosseini
Published: January 2024

Oxidation of organic matter with oxybromine oxidants is ushering in a new era of enhanced hydrocarbon recovery. While these potent reagents are being tested in laboratory and field experiments, there is a pressing demand to delineate the molecular processes governing oxidation reactions at geological depth. Here, we parameterize a ReaxFF potential to model the oxidative decompositions of aliphatic and aromatic hydrocarbons in the presence of water‐NaBr solutions that contain oxybromine (BrOn)− oxidizers. Our parameterization results in a reliable empirical bond‐order potential that accurately calculates bond energies, exhibiting an RMSE of ∼1.18 eV, corresponding to 1.36 % average error. Reproducing bond dissociation and binding energies from Density Functional Theory (DFT), our parameterization proves transferable to aqueous environments. This H/C/O/Na/Br ReaxFF potential accurately reproduces the oxidation pathways of small hydrocarbons with oxybromine oxidizers. This force field captures proton and oxygen transfer, C−C bond tautomerization, and cleavage, leading to ring‐opening and chain fragmentation. Molecular dynamic simulations demonstrate the oxidative degradation of aromatic and aliphatic kerogen‐like moieties in bulk solutions. We envision that such reactive force fields will be useful to understand better the oxidation reactions of organic matter formed in geological reservoirs for enhanced shale gas recovery and improved carbon dioxide treatments.
Absolute Photoionization Cross Section and Dissociative Ionization Pathways of Alpha‐Pinene
Authors: Rodriguez Ryan , Taatjes Craig A. , Meloni Giovanni
Published: January 2024

The absolute photoionization cross section of the monoterpenoid, alpha‐pinene (AP), is presented together with the relative photoionization cross sections of its dissociative fragments for the first time. Experiments are performed via multiplexed vacuum ultraviolet (VUV) synchrotron photoionization (PI) mass spectrometry in the 8.0–11.0 eV energy range. Experimental work is conducted at the Advanced Light Source of the Lawrence Berkeley National Laboratory. Dissociative fragments were identified at m/z 121, 94, 93, 92, and 80. The photoionization cross section for the parent mass at 11.0 eV was determined to be 17±4 Mb with a total ionization cross section of 92±23 Mb at the same photon energy. Experimental appearance energies of dissociative ionization fragments and potential dissociative ionization pathways calculated at the G4 level of theory are presented as well.