bluuebunny/crossref_metadata_2025_split huggingface dataset:
Visible Microfluidic Deprotonation for Aramid Nanofibers as Building Blocks of Cascade‐Microfluidic‐Processed Colloidal Aerogels
Authors: Ding Yafei , Cheng Qingqing , Lyu Jing , Liu Zengwei , Yuan Ruizhe , Ma Fengguo , Zhang Xuetong 
Published: March 2024

Abstract Microfluidic deprotonation approach is proposed to realize continuous, scalable, efficient, and uniform production of aramid nanofibers (ANFs) by virtue of large specific surface area, high mixing efficiency, strong heat transfer capacity, narrow residence time distribution, mild laminar‐flow process, and amplification‐free effect of the microchannel reactor. By means of monitoring capabilities endowed by the high transparency of the microchannel, the kinetic exfoliation process of original aramid particles is in situ observed and the corresponding exfoliation mechanism is established quantificationally. The deprotonated time can be reduced from the traditional several days to 7 min for the final colloidal dispersion due to the synergistic effect between enhanced local shearing/mixing and the rotational motion of aramid particles in microchannel revealed by numerical simulations. Furthermore, the cascade microfluidic processing approach is used to make various ANF colloidal aerogels including aerogel fibers, aerogel films, and 3D‐printed aerogel articles. Comprehensive characterizations show that these cascade‐microfluidic‐processed colloidal aerogels have identical features as those prepared in batch‐style mode, revealing the versatile use value of these ANFs. This work achieves significant progress toward continuous and efficient production of ANFs, bringing about appreciable prospects for the practical application of ANF‐based materials and providing inspiration for exfoliating any other nano‐building blocks.
Layered Double Hydroxides: Recent Progress and Promising Perspectives Toward Biomedical Applications
Authors: Li Lei , Soyhan Irem , Warszawik Eliza , van Rijn Patrick 
Published: March 2024

AbstractLayered double hydroxides (LDHs) have been widely studied for biomedical applications due to their excellent properties, such as good biocompatibility, degradability, interlayer ion exchangeability, high loading capacity, pH‐responsive release, and large specific surface area. Furthermore, the flexibility in the structural composition and ease of surface modification of LDHs makes it possible to develop specifically functionalized LDHs to meet the needs of different applications. In this review, the recent advances of LDHs for biomedical applications, which include LDH‐based drug delivery systems, LDHs for cancer diagnosis and therapy, tissue engineering, coatings, functional membranes, and biosensors, are comprehensively discussed. From these various biomedical research fields, it can be seen that there is great potential and possibility for the use of LDHs in biomedical applications. However, at the same time, it must be recognized that the actual clinical translation of LDHs is still very limited. Therefore, the current limitations of related research on LDHs are discussed by combining limited examples of actual clinical translation with requirements for clinical translation of biomaterials. Finally, an outlook on future research related to LDHs is provided.
Morusin Alleviates Aortic Valve Calcification by Inhibiting Valve Interstitial Cell Senescence Through Ccnd1/Trim25/Nrf2 Axis
Authors: Liu Zongtao , Wang Kan , Jiang Chen , Chen Yuqi , Liu Fayuan , Xie Minghui , Yim Wai Yen , Yao Dingyi , Qian Xingyu , Chen Shiqi , Shi Jiawei , Xu Kang , Wang Yixuan , Dong Nianguo 
Published: March 2024

AbstractThe senescence of aortic valve interstitial cells (VICs) plays a critical role in the progression of calcific aortic valve disease (CAVD). However, the precise mechanisms underlying the senescence of VICs remain unclear, demanding the identification of a novel target to mitigate this process. Previous studies have highlighted the anti‐aging potential of morusin. Thus, this study aimed to explore the therapeutic potential of morusin in CAVD. Cellular experiments reveal that morusin effectively suppresses cellular senescence and cause a shift toward osteogenic differentiation of VICs in vitro. Mechanistically, morusin activate the Nrf2‐mediated antiaging signaling pathway by downregulating CCND1 expression and aiding Keap1 degradation through Trim 25. This activation lead to the upregulated expression of antioxidant genes, thus reducing reactive oxygen species production and thereby preventing VIC osteogenic differentiation. In vivo experiments in ApoE−/− mice on a high‐fat Western diet demonstrate the positive effect of morusin in mitigating aortic valve calcification. These findings emphasize the antiaging properties of morusin and its potential as a therapeutic agent for CAVD.
Nitridated Nickel Mesh as Industrial Water and Alcohol Oxidation Catalyst: Reconstruction and Iron‐Incorporation Matters
Authors: Ghosh Suptish , Hausmann Jan Niklas , Reith Lukas , Vijaykumar Gonela , Schmidt Johannes , Laun Konstantin , Berendts Stefan , Zebger Ingo , Driess Matthias , Menezes Prashanth W. 
Published: March 2024

AbstractNickel mesh (NM) is used in industrial alkaline water electrolyzers due to its cost‐effectiveness and conductivity. However, the decisive factors that advance the efficiency and sustainability of such electrodes are only partially understood. Herein, an efficient NM‐based electrocatalyst for the oxygen evolution reaction is developed via a single‐step nitridation route on a commercially used NM substrate and sheds light on the role of reconstruction and iron content to boost catalyst performance and durability. Remarkably, the activated Ni3N/NM catalyst required an overpotential of 0.46 V to deliver 1 A cm−2 in ambient conditions (1 M KOH, 25 °C). This overpotential decreases substantially to 0.28 V in industrially relevant conditions (6 M KOH, 85 °C) and is maintained for 235 h. Ni3N/NM partially transformed into NiFe layered (oxy)hydroxide in both conditions, while the active structure's Fe content is reconstruction condition dependent (temperature and KOH concentration). Electrodes reconstructed under industrially relevant conditions performed better than ambient reconstructed ones due to a more pronounced iron‐incorporation from KOH and the evolution of porous morphologies. In industrial environments, activated Ni3N/NM excels in selectively converting benzyl alcohol to benzoic acid, achieving an impressive yield of 96%.
Decoding Electrochemical Processes of Lithium‐Ion Batteries by Classical Molecular Dynamics Simulations
Authors: Tan Xi , Chen Ming , Zhang Jinkai , Li Shiqi , Zhang Huajie , Yang Long , Sun Tian , Qian Xin , Feng Guang 
Published: March 2024

AbstractLithium‐ion batteries (LIBs) have played an essential role in the energy storage industry and dominated the power sources for consumer electronics and electric vehicles. Understanding the electrochemistry of LIBs at the molecular scale is significant for improving their performance, stability, lifetime, and safety. Classical molecular dynamics (MD) simulations could directly capture the atomic and molecular motions and thus provide dynamic insights into the electrochemical processes and ion transport in LIBs during charging and discharging that are usually challenging to observe experimentally, which is momentous in developing LIBs with superb performance. This review discusses developments in MD approaches using non‐reactive force fields, reactive force fields, and machine learning potential for modeling chemical reactions and transport of reactants in the electrodes, electrolytes, and electrode‐electrolyte interfaces. It also comprehensively discusses how molecular interactions, structures, transport, and reaction processes affect electrode stability, energy capacity, and interfacial properties. Finally, the remaining challenges and envisioned future routes are commented on for high‐fidelity, effective simulation methods to decode the invisible interactions and chemical reactions in LIBs.
Palladium Catalyzed Selective 1,4‐Dihydrosilylation of Alkynones
Authors: Mai Jiexiong , Zheng Juanjuan , Li Jiefang , Xu Shanshan , Ye Jiawang , Li Ping , Wang Xianwen , Li Bin 
Published: March 2024

AbstractAn efficient and selective Pd‐catalyzed 1,4‐dihydrosilylation of alkynones has been firstly described to provide a convenient access to β‐aryl carbonyl compounds under mild conditions. Various β‐aryl carbonyl compounds have been synthesized with good yields and functional group tolerance. β‐aryl carbonyl products have been shown to be further application in the synthesis of secondary alcohol, silyl‐ether, trifluoromethylsilyl‐ether and vinyl acetate derivative.
The Use of Xenonucleic Acids Significantly Reduces the In Vivo Drift of Electrochemical Aptamer‐Based Sensors
Authors: Leung Kaylyn K. , Gerson Julian , Emmons Nicole , Heemstra Jennifer M. , Kippin Tod E. , Plaxco Kevin W. 
Published: March 2024

AbstractElectrochemical aptamer‐based sensors support the high‐frequency, real‐time monitoring of molecules‐of‐interest in vivo. Achieving this requires methods for correcting the sensor drift seen during in vivo placements. While this correction ensures EAB sensor measurements remain accurate, as drift progresses it reduces the signal‐to‐noise ratio and precision. Here, we show that enzymatic cleavage of the sensor's target‐recognizing DNA aptamer is a major source of this signal loss. To demonstrate this, we deployed a tobramycin‐detecting EAB sensor analog fabricated with the DNase‐resistant “xenonucleic acid” 2’O‐methyl‐RNA in a live rat. In contrast to the sensor employing the equivalent DNA aptamer, the 2’O‐methyl‐RNA aptamer sensor lost very little signal and had improved signal‐to‐noise. We further characterized the EAB sensor drift using unstructured DNA or 2’O‐methyl‐RNA oligonucleotides. While the two devices drift similarly in vitro in whole blood, the in vivo drift of the 2’O‐methyl‐RNA‐employing device is less compared to the DNA‐employing device. Studies of the electron transfer kinetics suggested that the greater drift of the latter sensor arises due to enzymatic DNA degradation. These findings, coupled with advances in the selection of aptamers employing XNA, suggest a means of improving EAB sensor stability when they are used to perform molecular monitoring in the living body.
A Crown‐Ether‐Based Elastomer Bearing Loop Structures with Dissipating Characteristics and Enhanced Mechanical Performance
Authors: Zhao Dong , Zhang Zhaoming , Wei Zhiyou , Zhao Jun , Li Tao , Yan Xuzhou 
Published: March 2024

AbstractLoops are prevalent topological structures in cross‐linked polymer networks, resulting from the folding of polymer chains back onto themselves. Traditionally, they have been considered as defects that compromise the mechanical properties of the network, leading to extensive efforts in synthesis to prevent their formation. In this study, we introduce the inclusion of cyclic dibenzo‐24‐crown‐8 (DB24C8) moieties within the polymer network strands to form CCNs, and surprisingly, these loops enhance the mechanical performances of the network, leading to tough elastomers. The toughening effect can be attributed to the unique cyclic structure of DB24C8. The relatively small size and the presence of rigid phenyl rings provide the loops with relatively stable conformations, allowing for substantial energy dissipation upon the application of force. Furthermore, the DB24C8 rings possess a broad range of potential conformations, imparting the materials with exceptional elasticity. The synergistic combination of these two features effectively toughens the materials, resulting in a remarkable 66‐fold increase in toughness compared to the control sample of covalent networks. Moreover, the mechanical properties, particularly the recovery performance of the network, can be effectively tuned by introducing guests to bind with DB24C8, such as potassium ions and secondary ammonium salts.
Functionalization of Chlorotonils: Dehalogenil as Promising Lead Compound for In Vivo Application
Authors: Hofer Walter , Deschner Felix , Jézéquel Gwenaëlle , Pessanha de Carvalho Laìs , Abdel‐Wadood Noran , Pätzold Linda , Bernecker Steffen , Morgenstern Bernd , Kany Andreas M. , Große Miriam , Stadler Marc , Bischoff Markus , Hirsch Anna K. H. , Held Jana , Herrmann Jennifer , Müller Rolf 
Published: March 2024

AbstractThe natural product chlorotonil displays high potency against multidrug‐resistant Gram‐positive bacteria and Plasmodium falciparum. Yet, its scaffold is characterized by low solubility and oral bioavailability, but progress was recently made to enhance these properties. Applying late‐stage functionalization, we aimed to further optimize the molecule. Previously unknown reactions including a sulfur‐mediated dehalogenation were revealed. Dehalogenil, the product of this reaction, was identified as the most promising compound so far, as this new derivative displayed improved solubility and in vivo efficacy while retaining excellent antimicrobial activity. We confirmed superb activity against multidrug‐resistant clinical isolates of Staphylococcus aureus and Enterococcus spp. and mature transmission stages of Plasmodium falciparum. We also demonstrated favorable in vivo toxicity, pharmacokinetics and efficacy in infection models with S. aureus. Taken together, these results identify dehalogenil as an advanced lead molecule.
Bypassing Ammonia: From N2 to Nitrogen Heterocycles without N1 Intermediates or Transition Metals
Authors: Weber Marco , Kupfer Thomas , Arrowsmith Merle , Dewhurst Rian D. , Rang Maximilian , Ritschel Benedikt , Titlbach Sven , Ernst Martin , Rodrigues Marieli O. , da Silva Júnior Eufrânio N. , Braunschweig Holger 
Published: March 2024

AbstractDiboradiazene compounds, derived in one step from the boron‐mediated reduction of dinitrogen (N2), were treated separately with sulfur and acetic anhydride, providing heterocyclic compounds that are BN isosteres of thiophene and 1,3‐oxazole, respectively. These simple reactions represent the final steps in two‐step routes to complex heterocycles from N2 that both circumvent the need for transition metal reagents and completely bypass the traditional intermediate ammonia.
Optimizing Molecular Crystallinity and Suppressing Electron‐Phonon Coupling in Completely Non‐Fused Ring Electron Acceptors for Organic Solar Cells
Authors: Dai Tingting , Tang Ailing , Meng Yuhan , Dong Chuanqi , Cong Peiqing , Lu Jiahao , Du Jimin , Zhong Yufei , Zhou Erjun 
Published: March 2024

AbstractHigh open‐circuit voltage (Voc) organic solar cells (OSCs) have received increasing attention because of their promising application in tandem devices and indoor photovoltaics. However, the lack of a precise correlation between molecular structure and stacking behaviors of wide band gap electron acceptors has greatly limited its development. Here, we adopted an asymmetric halogenation strategy (AHS) and synthesized two completely non‐fused ring electron acceptors (NFREAs), HF‐BTA33 and HCl‐BTA33. The results show that AHS significantly enhances the molecular dipoles and suppresses electron‐phonon coupling, resulting in enhanced intramolecular/intermolecular interactions and decreased nonradiative decay. As a result, PTQ10 : HF‐BTA33 realizes a power conversion efficiency (PCE) of 11.42 % with a Voc of 1.232 V, higher than that of symmetric analogue F‐BTA33 (PCE=10.02 %, Voc=1.197 V). Notably, PTQ10 : HCl‐BTA33 achieves the highest PCE of 12.54 % with a Voc of 1.201 V due to the long‐range ordered π–π packing and enhanced surface electrostatic interactions thereby facilitating exciton dissociation and charge transport. This work not only proves that asymmetric halogenation of completely NFREAs is a simple and effective strategy for achieving both high PCE and Voc, but also provides deeper insights for the precise molecular design of low cost completely NFREAs.
Activating and Stabilizing a Reversible four Electron Redox Reaction of I−/I+ for Aqueous Zn‐Iodine Battery
Authors: Wang Chenggang , Ji Xiaoxing , Liang Jianing , Zhao Shunshun , Zhang Xixi , Qu Guangmeng , Shao Wenfeng , Li Chuanlin , Zhao Gang , Xu Xijin , Li Huiqiao 
Published: March 2024

AbstractLow capacity and poor cycle stability greatly inhibit the development of zinc‐iodine batteries. Herein, a high‐performance Zn‐iodine battery has been reached by designing and optimizing both electrode and electrolyte. The Br− is introduced as the activator to trigger I+, and coupled with I+ forming interhalogen to stabilize I+ to achieve a four‐electron reaction, which greatly promotes the capacity. And the Ni−Fe−I LDH nanoflowers serve as the confinement host to enable the reactions of I−/I+ occurring in the layer due to the spacious and stable interlayer spacing of Ni−Fe−I LDH, which effectively suppresses the iodine‐species shuttle ensuring high cycling stability. As a result, the electrochemical performance is greatly enhanced, especially in specific capacity (as high as 350 mAh g−1 at 1 A g−1 far higher than two‐electron transfer Zn‐iodine batteries) and cycling performance (94.6 % capacity retention after 10000 cycles). This strategy provides a new way to realize high capacity and long‐term stability of Zn‐iodine batteries.
Adsorptive removal of methylene blue dye using durian peel waste reinforced polyvinyl alcohol‐based composite membrane
Authors: Pham Bao‐Tran Tran , Nguyen Dai Van , Phung Thanh Khoa , Nguyen Thuong Thi 
Published: March 2024

AbstractA large amount of dye effluents with biodegradable and highly toxic nature from the dyeing and finishing processes has discharged into natural water bodies without adequate treatment, which adversely impacted on aquatic life and human health. Herein, polyvinyl alcohol/agarose/maltodextrin composite membrane (PAM)‐reinforced durian skin fiber is fabricated for methylene blue (MB) uptake from aqueous medium. Structural analyses of the as‐prepared composite membrane are conducted using scanning electron microscopy, Fourier‐transform infrared spectroscopy, water contact angle, and nitrogen adsorption/desorption isotherm measurement. The important influence of experimental conditions including exposure time between adsorbates and adsorbents, initial MB concentration, solution temperature, and pH are also explored. Furthermore, thermodynamic behavior, nonlinear isotherms, and kinetics along with possible adsorption mechanism are provided to attain the insight into the adsorption nature. The results show that PAM‐reinforced durian peel waste possesses high MB adsorption capacity (105.54 mg g−1), which was controlled by diffusion and chemisorption mechanism. The thermodynamics of methyl blue removal on the composite membrane suggest that the adsorption is spontaneous, favorable, and endothermic in nature. This contribution is expected to inspire the efficient utilization of agriculture by‐products into eco‐friendly and biodegradable adsorbents to purify the dye‐contaminated water.
Effects of epoxy resin on the high‐temperature performance of desulfurized rubber modified asphalt
Authors: Li Junwei , Su Haobo , Yang Dan , Jia Yanzhen , Jiao Xiaolei , Zheng Liansheng , Lu Wenxue , Zhao Yongke 
Published: March 2024

AbstractIn order to improve the performance of desulphurized rubber modified asphalt, especially the high‐temperature performance, epoxy resin was selected to modify the modified asphalt with three curing agent and accelerator components. The conventional properties, rheological properties, curing effect, process energy, and modification mechanism of epoxy resin—desulfurized rubber modified asphalt were analyzed. The experimental results show that the addition of epoxy resin to asphalt can all improve the high‐temperature performance of modified asphalt. The promoter component (PC) further improves the high‐temperature performance and reduces the viscosity. Among them, diaminodiphenyl sulfone and methylhexahydrophthalic anhydride in a 1:1 mass combination with epoxy resin modified asphalt not only had better high‐temperature performance, but also had excellent low‐temperature performance and ideal curing process. From the results, it can be seen that 5% epoxy resin with mixed curing agent with 3% PC had the best overall performance.
Design modification and comparative analysis of glycol‐based natural gas dehydration plant
Authors: Wosu Chimene Omeke , Akpa Jackson Gunorubon , Wordu Animia Ajor , Ehirim Emmanuel , Ezeh Ernest Mbamalu 
Published: March 2024

AbstractNatural gas production from reservoirs is often associated with water, which poses numerous challenges, such as methane hydrate formation, sludge, corrosion and flow assurance issues in gas processing plants and sales gas transmission pipelines. To effectively remove water from natural gas, there is a need to design, compare and modify dehydration plants. This study investigated the performance difference between a conventional triethylene glycol (TEG)‐based dehydration system with a cooler at the TEG inlet to the contactor, and a newly proposed TEG‐based dehydration system with a heat exchanger replacing the cooler at the TEG inlet with the contactor. The advanced process simulation software Aspen HYSYS was used to design and compare two dehydration system configurations. The modified design configuration exhibited better performance in terms of energy conservation and water‐removal capability. The material balance of molar flow, mass flow and volume flow of dry gas produced in the absorber/contactor column showed a higher volume of dry gas produced in the modified system configuration, indicating that it is a better design. The modified design configuration also produced dry gas within the recommended temperature range for underground storage and transmission. There was a significant difference in the percentage difference of 64% between the conventional and modified designs in terms of energy consumption, whereas the percentage differences of 0% and 0.6% showed nonsignificant and significant differences between the two plant design configurations. Both plant design configurations showed a significant reduction (from 0.005 to 0.0002 mol%) in the water composition of natural gas after the simulation.
Callistemon citrinus: A plant‐mediated synthesis of sustainable Rhodium nanoparticles and their antimicrobial activity
Authors: Ismail Enas , Mohamed Abubaker , Maboza Ernest , Dhlamini Mokhotjwa Simon , Adam Razia Z. 
Published: March 2024

AbstractThis work investigates the potential of using Callistemon citrinu flower extract, commonly known as bottlebrush, in the environmentally friendly synthesis of Rhodium nanoparticles (Rh NPs). Callistemon citrinu flower extract contains a high concentration of flavonoids and other phytochemicals. Hence, the extract was used to provide the essential components for an environmentally, sustainable synthesis method of Rh NPs. Different characterization analyses were used to evaluate the different properties of the synthesized particles. UV spectroscopy analysis demonstrated a continuous UV absorption spectrum attributed to the formation of Rh NPs. The XRD data and SAED analysis showed an amorphous nature of the synthesized Rh NPs. The HRTEM imaging provided morphological information about the Rh NPs tested sample, where the efficiency of Callistemon citrinu flower extract as a capping agent was reported. Furthermore, Raman spectra displayed the characteristic vibrational bands of the synthesized Rh NPs. The antimicrobial activity of the synthesized samples was tested against several dental pathogens, that play a role in dental caries, Staphylococcus aureus (SA), Bacillus subtilis (BS), Candida albicans (CA), Escherichia coli (Eco), and Staphylococcus epidermidis (S. Epi). In comparison with the control, Chlorhexidine (CHX), Rh NPs showed a greater impact on C. albicans (20 ≤ Zone of inhibition (ZOI) (mm) ≤ 26). The statistical analysis demonstrated that Rh NPs had a greater mean ZOI than the Callistemon citrinu flower extract. These results reveal the considerable potential and biological capacity Rh NPs have as an antifungal agent for dental applications.