bluuebunny/crossref_metadata_2025_split huggingface dataset:
Digital futures in mind: Why lived experience collaboration must guide digital mental health technologies
Authors: Gilbert Kellie , Muchamore Ian , Katterl Simon , Purdon Hayley , Allen Andy , Ozols Ingrid , Gooding Piers 
Published: July 2024

AbstractDigital mental health technologies and services are here. More are coming. Such technologies and services present both risks and opportunities. At their best, they may enhance the most humane, communal and caring parts of our social systems and communities. At their worst, they may reinforce reductionist approaches to distress and crisis, increase surveillance and control, as well as extracting data and wealth from people seeking care. In this paper, we argue that lived experience‐led governance and collaborative development of these technologies and services will enhance the best opportunities and mitigate against the biggest risks. This paper provides a commentary emerging from work by authors with lived experience, and those without, that explored accountability in digital mental health technologies and services. The commentary offers guidance to anyone interested in supporting lived experience‐led, and collaborative governance of, digital mental health technologies. This guidance, drawing on interdisciplinary and lived experience‐led research and grey literature, assists readers in understanding why collaboration should take place, when, where and with whom, on what issues this could start, and how collaborators should approach this.
In Situ Production of Hydroxyl Radicals via Three‐Electron Oxygen Reduction: Opportunities for Water Treatment
Authors: Wang Zhiming , Hu Nan , Wang Lan , Zhao Hongying , Zhao Guohua 
Published: July 2024

AbstractThe electro‐Fenton (EF) process is an advanced oxidation technology with significant potential; however, it is limited by two steps: generation and activation of H2O2. In contrast to the production of H2O2 via the electrochemical two‐electron oxygen reduction reaction (ORR), the electrochemical three‐electron (3e−) ORR can directly activate molecular oxygen to yield the hydroxyl radical (⋅OH), thus breaking through the conceptual and operational limitations of the traditional EF reaction. Therefore, the 3e− ORR is a vital process for efficiently producing ⋅OH in situ, thus charting a new path toward the development of green water‐treatment technologies. This review summarizes the characteristics and mechanisms of the 3e− ORR, focusing on the basic principles and latest progress in the in situ generation and efficient utilization of ⋅OH through the modulation of the reaction pathway, shedding light on the rational design of 3e− ORR catalysts, mechanistic exploration, and practical applications for water treatment. Finally, the future developments and challenges of efficient, stable, and large‐scale utilization of ⋅OH are discussed based on achieving optimal 3e− ORR regulation and the potential to combine it with other technologies.
Entropy‐Assisted Anion‐Reinforced Solvation Structure for Fast‐Charging Sodium‐Ion Full Batteries
Authors: Zhou Xunzhu , Chen Xiaomin , Kuang Wenxi , Zhu Wenqing , Zhang Xiaosa , Liu Xiaohao , Wu Xingqiao , Zhang Longhai , Zhang Chaofeng , Li Lin , Wang Jiazhao , Chou Shu‐Lei 
Published: July 2024

AbstractAnion‐reinforced solvation structure favors the formation of inorganic‐rich robust electrode‐electrolyte interface, which endows fast ion transport and high strength modulus to enable improved electrochemical performance. However, such a unique solvation structure inevitably injures the ionic conductivity of electrolytes and limits the fast‐charging performance. Herein, a trade‐off in tuning anion‐reinforced solvation structure and high ionic conductivity is realized by the entropy‐assisted hybrid ester‐ether electrolyte. Anion‐reinforced solvation sheath with more anions occupying the inner Na+ shell is constructed by introducing the weakly coordinated ether tetrahydrofuran into the commonly used ester‐based electrolyte, which merits the accelerated desolvation energy and gradient inorganic‐rich electrode‐electrolyte interface. The improved ionic conductivity is attributed to the weakly diverse solvation structures induced by entropy effect. These enable the enhanced rate performance and cycling stability of Prussian blue||hard carbon full cells with high electrode mass loading. More importantly, the practical application of the designed electrolyte was further demonstrated by industry‐level 18650 cylindrical cells.
Transforming Red Phosphorus Photocatalysis: Dual Roles of Pre‐Anchored Ru Single Atoms in Defect and Interface Engineering
Authors: Bian Junwei , Zhang Wei , Ng Yun Hau , Hu Zhuofeng , Wei Zhen , Liu Yuxi , Deng Jiguang , Dai Hongxing , Jing Lin 
Published: July 2024

AbstractCrystalline red phosphorus (CRP), known for its promising photocatalytic properties, faces challenges in photocatalytic hydrogen evolution (PHE) due to undesired inherent charge deep trapping and recombination effects induced by defects. This study overcomes these limitations through an innovative strategy in integrating ruthenium single atoms (Ru1) within CRP to simultaneously repair the intrinsic undesired vacancy defects and serve as the uniformly distributed anchoring sites for a controllable growth into ruthenium nanoparticles (RuNP). Hence, a highly functionalized CRP with Ru1 and RuNP (Ru1‐NP/CRP) with concerted effects in regulating electronic structures and promoting interfacial charge transfer has been achieved. Advanced characterizations unveil the pioneering dual role of pre‐anchored Ru1 (analogous to the “Tai Chi” principle) in transforming CRP photocatalysis. The regulations of vacancy defects on the surface of CRP minimize the detrimental deep charge trapping, resulting in the prolonged lifetime of active charges. With the well‐distributed in situ growth of RuNP on Ru1 sites, the constructed robust “bridge” that connects CRP and RuNP facilitates constructive interfacial charge transfer. Ultimately, the synergistic effect induced by the pre‐anchored Ru1 endows Ru1‐NP/CRP with an exceptional PHE rate of 3175 μmol h−1 g−1, positioning it as one of the most efficient elemental‐based photocatalysts available. This breakthrough underscores the crucial role of pre‐anchoring metal single atoms at defect sites of catalysts in enhancing sustainable hydrogen production.
Enzyme‐triggered assembly of glycan nanomaterials
Authors: van Trijp Jacobus P. , Hribernik Nives , Lim Jia Hui , Dal Colle Marlene C. S. , Mena Yadiel Vázquez , Ogawa Yu , Delbianco Martina 
Published: July 2024

AbstractA comprehensive molecular understanding of carbohydrate aggregation is key to optimize carbohydrate utilization and to engineer bioinspired analogues with tailored shapes and properties. However, the lack of well‐defined synthetic standards has substantially hampered advances in this field. Herein, we employ a phosphorylation‐assisted strategy to synthesize previously inaccessible long oligomers of cellulose, chitin, and xylan. These oligomers were subjected to enzyme‐triggered assembly (ETA) for the on‐demand formation of well‐defined carbohydrate nanomaterials, including elongated platelets, helical bundles, and hexagonal particles. Cryo‐electron microscopy and electron diffraction analysis provided molecular insights into the aggregation behavior of these oligosaccharides, establishing a direct connection between the resulting morphologies and the oligosaccharide primary sequence. Our findings demonstrate that ETA is a powerful approach to elucidate the intrinsic aggregation behavior of carbohydrates in nature. Moreover, the ability to access a diverse array of morphologies, expanded with a non‐natural sequence, underscores the potential of ETA, coupled with sequence design, as a robust tool for accessing programmable glycan architectures.
Dihydropyridopyrazine Functionalized Xanthene: Generating Stable NIR Dyes with Small‐Molecular Weight by Enhanced Charge Separation
Authors: Zhang Xing‐Xing , Yang Feiyu , Zhao Xinyu , Wu Qian , He Long , Li Zhe , Zhou Zhixuan , Ren Tian‐Bing , Zhang Xiao‐Bing , Yuan Lin 
Published: July 2024

AbstractNear‐infrared region (NIR; 650–1700 nm) dyes offer many advantages over traditional dyes with absorption and emission in the visible region. However, developing new NIR dyes, especially organic dyes with long wavelengths, small molecular weight, and excellent stability and biocompatibility, is still quite challenging. Herein, we present a general method to enhance the absorption and emission wavelengths of traditional fluorophores by simply appending a charge separation structure, dihydropyridopyrazine. These novel NIR dyes not only exhibited greatly redshifted wavelengths compared to their parent dyes, but also displayed a small molecular weight increase together with retained stability and biocompatibility. Specifically, dye NIR‐OX, a dihydropyridopyra‐zine derivative of oxazine with a molecular mass of 386.2 Da, exhibited an absorption at 822 nm and an emission extending to 1200 nm, making it one of the smallest molecular‐weight NIR‐II emitting dyes. Thanks to its rapid metabolism and long wave‐length, NIR‐OX enabled high‐contrast bioimaging and assessment of cholestatic liver injury in vivo and also facilitated the evalua‐tion of the efficacy of liver protection medicines against cholestatic liver injury.
Spirobipyridine Ligand Enabled Iridium‐Catalyzed Site‐Selective C−H Activation via Non‐Covalent Interactions
Authors: Dong Kun , Wu Tianbao , Wang Minyan , Lin Luqing 
Published: July 2024

AbstractThe selective borylation of specific C−H bonds in organic synthesis remains a formidable challenge. In this study, we present a novel spirobipyridine ligand that features a binaphthyl backbone. This ligand facilitates the iridium‐catalyzed selective C−H borylation of benzene derivatives. The ligand is designed with “side‐arm‐wall” substituents that allow vicinal di‐ or multi‐substituted benzene derivatives to approach metal center and effectively block other reactive sites by non‐covalent interactions with substrates. The effectiveness of this strategy is demonstrated by the successful selective distal C−H activation of various alkaloids and its broad compatibility with functional groups.
Mesoporous Vinylene‐Linked Covalent Organic Frameworks with Heteroatom‐Tuned Crystallinity and Photocatalytic Behaviors
Authors: Li Mengqi , Chi Xu , Zhang Zixing , Bi Shuai , Meng Fancheng , Jiao Yang , Mou Kaiwen , Wang Zhiheng , Xue Bai , Li Xiaomeng , Zhang Fan 
Published: July 2024

AbstractOwing to its prominent π‐delocalization and stability, vinylene linkage holds great merits in the construction of covalent organic frameworks (COFs) with promising semiconducting properties. However, carbon‐carbon double bond formation reaction always exhibits relatively low reversibility, unfavorable for the formation of high crystalline frameworks through self‐error correction and assembling processes. In this work, we report a heteroatom‐tuned strategy to build up a series of two‐dimensional (2D) vinylene‐linked COFs by Knoevenagel condensation of an electron‐deficient methylthiazolyl‐based monomer with different triformyl substituted (hetero−)aromatic derivatives. The resulting COFs show high‐quality periodic mesoporous structures with high surface areas. Embedding heteroatoms into the backbones enables significantly improving their crystallinity, and finely tailoring their semiconducting structures. Upon visible light stimulation, one of the as‐prepared COFs with donor‐π‐acceptor structure could deliver a nearly seven‐fold increase in the catalytic activity of hydrogen generation as compared with the other two. Meanwhile, in combination with high crystallinity and the matched conduction band energy level, such kind of COFs can be able to selectively generate singlet oxygen and superoxide radicals in a high ratio of up to 30 : 1, allowing for catalyzing aerobic thioanisole oxidation in distinctly tunable activities through the substituent electronic effect of the substrates.
Synthesis, characterization, anticancer, antibacterial, antioxidant, DFT, and molecular docking of novel La (III), Ce (III), Nd (III), and Dy (III) lanthanide complexes with Schiff base derived from 2‐aminobenzothiazole and coumarin
Authors: Abo‐Rehab Rehab S. , Kasim Ensaf Aboul , Farhan Nasser , Tolba Mahmoud S. , Shehata Mohamed R. , Abdalla Ehab M. 
Published: July 2024

Four novel lanthanide La (III), Ce (III), Nd (III), and Dy (III) complexes with (Z)‐4‐(benzo[d]thiazol‐2‐ylamino)‐3‐((benzo[d]thiazol‐2‐ylimino)methyl)‐2H‐chromen‐2‐one (L) were prepared and characterized. The novel compounds' structural compositions were elucidated by the application of analytical and spectroscopic methodologies. From physical and chemical measurements, the general formula for the [LnLCl3]2H2O complexes (C1‐C4) was proposed, which was proven by theoretical measurements. Using cisplatin, gentamicin, ampicillin, and ascorbic acid as standards, the compound's anticancer, antibacterial, and antioxidant qualities were assessed, and activities followed the order: Ce (III)L(C2) > Nd (III)L(C3) > Dy (III)L(C4) > La (III)L(C1) > L where the Ce (III) complexes exhibited the highest activity followed by Nd (III) complexes. Molecular docking studies were performed using the MOA2022 software to identify putative binding mechanisms for the methionine adenosyl‐transferases in liver cancer (PDB ID: 5A19) and the most active site of the Bacillus subtilis receptor (PDB ID: 5e6k), where the strength of the interaction increases with the negative binding energy L ˂ [LaLCl3] ˂ [DyLCl3] ˂ [NdLCl3] ˂ [CeLCl3].
The capacitance and shape memory effect of highly stretchable and flexible nanocomposite electrodes based on polyaniline
Authors: Du Haiyan , Ding Rui , Xu Qing , Zhang Jing , Sun Dangchao 
Published: July 2024

AbstractThe increasing demand for portable and flexible energy storage devices drives the rapid development of flexible electrodes and electrolytes. Meanwhile, the free‐standing polymer electrodes face great chance and challenge. In this work, the stretchable and flexible polyaniline/carbon nanotube/poly(vinyl alcohol) electrode (PANI/CNT/PVA‐E) was fabricated by in‐situ polymerization of aniline in CNT/PVA‐E substrate, where CNT was used to enhance the conductivity and mechanical properties of the polymer electrodes. Compared with PANI/PVA, the comprehensive performance of PANI/CNT/PVA‐E was improved. In addition, the electrochemical performance and tensile property of the electrodes depended on the CNT content. The nanocomposite electrode with 0.25% of CNT possessed optimal properties with high capacitance of 248.69 mF cm−2, and 75.29% of capacity retention over 4000 charge–discharge cycles at 1 mA cm−2. It also exhibited outstanding tensile strength of 3.88 MPa and elongation up to 462.3%. Interestingly, the electrode possessed good heat driven shape memory effect. The temporary shape could be fixed at 70°C under extra force, and the fixed shape recovered within 10 s when it was reheated to the same temperature. It is concluded that the present work may contribute to the development and fabrication of flexible energy‐storage devices, portable and highly stretchable electric devices.
Thermo‐oxidative degradation behavior of poly(vinyl chloride) insulation for new and overloaded wires via TG‐FTIR
Authors: Lin Qing‐Wen , Li Yang , Deng Jun , He Fen‐Fen , Man Peng‐Rui 
Published: July 2024

AbstractWhen a poly(vinyl chloride) (PVC) wire experiences overload failure, the internal structure of the insulation changes to become overloaded insulation and the fire hazard changes. In this study, the thermo‐oxidative degradation behavior of new and overloaded PVC insulation materials was analyzed using coupled thermogravimetric‐Fourier transform infrared spectroscopy (TG‐FTIR). The thermo‐oxidative degradation results show that the first two stages of thermo‐oxidative degradation of PVC insulation are important stages for measuring fire hazard. In addition, the onset temperature of thermo‐oxidative degradation of overloaded PVC insulation was increased. The activation energies of the first two stages of the overloaded PVC insulation increased by 7.7% and 27.0%, respectively, compared to the new PVC insulation. And the reaction mechanism is changed. The FTIR results indicate that the increased amount of volatile organic compounds and CO2 generated during the pyrolysis of the overloaded PVC insulation may result in the generation of more heat and smoke during combustion, thus increasing the fire hazard.
Enhancing fresh strawberry preservation: Fabrication and characterization of electrospun fibers decorated with functionalized graphene oxide
Authors: Köroğlu Deniz , Eskitoros‐Togay Ş. Melda , Dilsiz Nursel 
Published: July 2024

AbstractThis study focuses on developing an innovative packaging material for fresh strawberries composed of electrospun poly(ε‐caprolactone) (PCL)/poly(vinylpyrrolidone) (PVP) fibers decorated by pure graphene oxide (GO) and functionalized GOs with silane agents using the electrospinning technique. Initially, synthesized GO was first functionalized by silane agents, and followed by the fabrication of electrospun PCL/PVP fibers incorporating both pure GO and functionalized GOs. The surface morphological analyses revealed the uniformity, smoothness, and beadless in the fabricated fibers. The average fiber diameter of the PCL/PVP/0.5A‐GO fibers was found as 3244 ± 56 nm. Electrospun PCL/PVP/0.5A‐GO and PCL/PVP/0.5G‐GO fibers exhibited increased water absorption ratios over 20 days. The incorporation of GO into the polymer matrix, along with an increase in GO concentration, enhanced the tensile strength of the fibers, found as 5.149 ± 0.032 kPa. In preservation tests on fresh strawberries, PCL/PVP/0.5A‐GO fibers demonstrated superior freshness compared with unpacked strawberries and other variants. The study also highlighted the inhibitory effects of fibers decorated with 0.5% APTES‐GO, showing the highest inhibition zone. In summary, fibers incorporating 0.5% A‐GO effectively extended the shelf‐life of fresh strawberries, making them a promising packaging material for perishable goods.
Synthesis of thienopyrazine‐ and cyclofluorene–thiophene‐based donor–acceptor low‐band gap polymers and their application in memory devices
Authors: Mei Binhua , Bai Ju , Zhang Yuhang , Ma Yang , Hou Yanjun , Wang Shuhong , Wang Cheng 
Published: July 2024

AbstractLow‐band gap semiconductor polymer materials play a crucial role in the field of organic optoelectronics. In this context, a series of low‐band gap polymers containing thienopyrazine as the acceptor and cyclofluorene–bithiophene as the donor were synthesized and utilized in resistive random access memory (RRAM) devices. These memory devices consistently exhibit nonvolatile flash memory behavior. Remarkably, all three polymers demonstrate stability even after 1000 cycles without significant fluctuations. Notably, the three polymer‐based devices also exhibit excellent ternary memory performance, with current ratios of 1:102.8:104, 1:101.3:103.9, and 1:101.8:103.6. Furthermore, the photoelectric properties of the three polymers and the conduction mechanisms of the memory devices were thoroughly discussed.
Hierarchical Self‐Assembly and Aggregation‐Induced Emission Enhancement in Tetrabenzofluorene‐Based Red Emitting Molecules
Authors: Boopathi A. A. , Navya P. V. , Mohan Indhu , Ayyadurai Niraikulam , Karuppusamy Masiyappan , Easwaramoorthi Shanmugam , Roy Arun , Narasimhaswamy T. , Sampath Srinivasan 
Published: July 2024

AbstractThe newly synthesized chiral active [5]helicene‐like tetrabenzofluorene (TBF) based highly red‐emitting molecules exhibit flower‐like self‐assembly. These molecules display photophysical and structural properties such as intramolecular charge transfer, dual state emission, large fluorescence quantum yield, and solvatochromism. In TBFID, the indandione functional group attached on both sides as the terminal group offers an A‐D‐A push‐pull effect and acts as a strong acceptor to cause more redshift in solution as well as in solid state as compared to TBFPA (TBF with benzaldehyde functional group in terminal position). The self‐assembly studies of TBFID demonstrate the aggregation‐induced emission enhancement (AIEE) attributed to the restriction of intramolecular rotation at the aggregated state. Furthermore, TBFID shows high quantum yield and intense red emission, making the molecule fit for organic light‐emitting diodes (OLED) and bioimaging applications.
Interfacial Decomposition Behaviour of Triethyl Phosphate‐Based Electrolytes for Lithium‐Ion Batteries
Authors: Gebert Florian , Lundström Robin , van Ekeren Wessel , Naylor Andrew J. 
Published: July 2024

AbstractTriethyl phosphate (TEP) is a cheap, environmentally benign, and non‐flammable electrolyte solvent, whose implementation in lithium‐ion batteries is held back by its co‐intercalation into graphite anodes, resulting in exfoliation of the graphite structure. In this work, the electrode‐electrolyte interface behaviour of electrolytes containing up to 100 % TEP is investigated and correlated to electrochemical performance. High capacity and stable cycling are maintained with up to 30 % TEP in carbonate ester‐based electrolytes, but above this threshold the reversibility of Li+ intercalation into graphite drops sharply to almost zero. This represents a potential route to improved battery safety, while TEP can also improve safety indirectly by enabling the use of lithium bis(oxalato)borate, a fluorine‐free salt with limited solubility in traditional electrolytes. To understand the poor performance at TEP concentrations of >30 %, its solvation behaviour and interfacial reaction chemistry were studied. Nuclear magnetic resonance spectroscopy data confirms changes in the Li+ solvation shell above 30 % TEP, while operando gas analysis indicates extensive gas evolution from TEP decomposition at the electrode above the threshold concentration, which is almost entirely absent below it. X‐ray photoelectron spectroscopy depth profiling of electrodes demonstrates poor passivation by the solid electrolyte interphase above 30 % TEP and significant graphite exfoliation.
Tuning fluorescence of fexofenadine by switching OFF intramolecular photoinduced electron transfer: Application to development of one‐step green and high throughput microwell spectrofluorimetric assay for analysis of tablets and plasma
Authors: Darwish Ibrahim A. , Al‐Outaibi Majed , Alzoman Nourah Z. 
Published: July 2024

AbstractFexofenadine (FEX) is a non‐sedating antihistamine commonly used for the treatment of allergic conditions such as seasonal rhinitis and chronic idiopathic urticaria. This study describes the tuning “ON” the intrinsic fluorescence of FEX by switching “OFF” its intramolecular photoinduced electron transfer (PET) through the protonation of the piperidinyl nitrogen atom using sulfuric acid. The resulting fluorescence was utilized as a basis for the development of a highly sensitive microwell spectrofluorimetric assay (MW‐SFA) for the one‐step determination of FEX in pharmaceutical tablets and plasma. The linear range of the assay was 10–500 ng ml−1, and its limit of quantitation was 25.9 ng ml−1. The proposed MW‐SFA was successfully applied to analyze FEX in pharmaceutical tablets and plasma samples, demonstrating good accuracy and precision. The greenness of the assay was confirmed using three metric assessment tools. In conclusion, the MW‐SFA is a straightforward, single‐step analysis that requires no experimental adjustments. It offers high sensitivity, efficient sample processing, and environmental sustainability. This assay is highly recommended for pharmaceutical quality control and clinical lab use, particularly for measuring FEX levels.