bluuebunny/crossref_metadata_2025 huggingface dataset:
The Electronic Structure and Stability of Ti2SnC/Ag Interface Studied by First‐Principles Calculations
Authors: Nian Yongheng , Zhang Zhengyun , Liu Manmen , Zhou Xiaolong
Published: November 2023

In this paper, the electronic properties, the adhesive energy, and the interface energy of the MAX phase Ti2SnC(0001)/Ag(111) interface are systematically investigated using first principles based on density functional theory. Four different terminations of Ti2SnC(0001) are considered, and 16 different Ti2SnC(0001)/Ag(111) interface configurations are obtained by varying the stacking positions of the atoms. After calculating the electronic structure, adhesion work, and interface energy of these interface model interfaces with the same terminal but different atomic positions, it is found that the interface of the same terminal has a very limited effect on the interface bonding of the interface model by changing the stacking order of the interface atomic layer. By comparing the adhesion work and interface energy of 16 interface models, it is found that the HCP2 configuration of C‐Ti2SnC(0001)/Ag(111)interface structure has the highest adhesion work and the lowest interface energy. The larger the adhesion work is, the stronger the bonding between the interface atoms is. Meanwhile, the smaller the interface energy (positive value) is, the more stable the interface is. By calculating the electronic structure of the interface, the accuracy of the above results is further verified after analyzing the partial density of states (PDOS) and charge density difference of the interface.
Electrolyte Additives for Stable Zn Anodes
Authors: Bai Shengchi , Huang Zhaodong , Liang Guojin , Yang Rui , Liu Di , Wen Wen , Jin Xu , Zhi Chunyi , Wang Xiaoqi
Published: November 2023

Zn‐ion batteries are regarded as the most promising batteries for next‐generation, large‐scale energy storage because of their low cost, high safety, and eco‐friendly nature. The use of aqueous electrolytes results in poor reversibility and leads to many challenges related to the Zn anode. Electrolyte additives can effectively address many such challenges, including dendrite growth and corrosion. This review provides a comprehensive introduction to the major challenges in and current strategies used for Zn anode protection. In particular, an in‐depth and fundamental understanding is provided of the various functions of electrolyte additives, including electrostatic shielding, adsorption, in situ solid electrolyte interphase formation, enhancing water stability, and surface texture regulation. Potential future research directions for electrolyte additives used in aqueous Zn‐ion batteries are also discussed.
Cytoprotective Metal–Phenolic Network Sporulation to Modulate Microalgal Mobility and Division
Authors: Li Xiaojie , Liu Hai , Lin Zhixing , Richardson Joseph J. , Xie Weiying , Chen Feng , Lin Wei , Caruso Frank , Zhou Jiajing , Liu Bin
Published: November 2023

Synthetic cell exoskeletons created from abiotic materials have attracted interest in materials science and biotechnology, as they can regulate cell behavior and create new functionalities. Here, a facile strategy is reported to mimic microalgal sporulation with on‐demand germination and locomotion via responsive metal–phenolic networks (MPNs). Specifically, MPNs with tunable thickness and composition are deposited on the surface of microalgae cells via one‐step coordination, without any loss of cell viability or intrinsic cell photosynthetic properties. The MPN coating keeps the cells in a dormant state, but can be disassembled on‐demand in response to environmental pH or chemical stimulus, thereby reviving the microalgae within 1 min. Moreover, the artificial sporulation of microalgae resulted in resistance to environmental stresses (e.g., metal ions and antibiotics) akin to the function of natural sporulation. This strategy can regulate the life cycle of complex cells, providing a synthetic strategy for designing hybrid microorganisms.
Robust Hybrid Solid Electrolyte Interface Induced by Zn‐Poor Electric Double Layer for A Highly Reversible Zinc Anode
Authors: Fang Xiao , Hu Chao , Sun Xiaoyi , Wang Haiyan , Li Juan
Published: November 2023

Aqueous Zn‐ion batteries (AZIBs) show great potential in new energy storage devices due to low cost, inherent safety, and environmental friendliness. However, the severe dendrites and side reactions on the anode greatly constrain their practical application. Herein, a novel colloidal electrolyte composed of ZnSO4 and sodium carboxymethyl cellulose (CMC‐Na) has been developed for inhibiting dendrite growth on Zn anode. Molecular dynamics (MD) simulation confirms that CMC‐Na alters the electric double layer (EDL) structure of Zn anode surface to reduce the content of water and SO42− and inhibit side reactions. More importantly, an organic/inorganic hybrid solid electrolyte interface (SEI) layer is in situ constructed during the cycling, which enables ultrastable Zn plating/stripping (> 2000 h) under high current density (5 mA cm−2, 5 mAh cm−2) and high coulombic efficiency (99.8%) for more than 1000 cycles. Meanwhile, zinc‐ion hybrid capacitors (ZIHCs) with the colloidal electrolyte exhibit a favorable capacitance retention of 97% after 15000 cycles at the current density of 2 A g−1. Even at a high current density of 5 A g−1, it still has a capacitance retention of 96% after 30000 cycles. This study presents a novel electrolyte strategy for the formation of ultrastable electrode‐electrolyte interfaces in AZIBs.
Hybrid Double Atom Catalysts for Hydrogen Evolution Reaction: A Sweet Marriage of Metal and Nonmetal
Authors: Zhang Lihong , Guo Xiangyu , Zhang Shengli , Frauenheim Thomas , Huang Shiping
Published: November 2023

Searching for active and low‐cost electrocatalysts for the hydrogen evolution reaction (HER) is crucial to develop sustainable energy, yet it remains a significant challenge. Based on the density functional theory calculations, a new kind of double atom catalysts (HDACs) with hybrid metal and nonmetal center embedded in g‐CN is reported for the HER. It is demonstrated that the introduction of the nonmetal atoms (B, C, Si, P, and S) near the metal sites enables unique charge communication between them, which offers diatomic center a very different catalytic activity than the single atom counterparts. Out of 130 HDACs, Pd‐B, Ti‐C, Ir‐C, Cr‐Si, Mn‐Si, Co‐Si, Rh‐Si, Au‐Si, Ir‐P, Fe‐S, and Ni‐S pairs are identified as the high‐performance electrocatalysts with nearly ideal adsorption strength for proton. Machine learning analysis allows to directly identify the key characteristics that affect the catalytic activity and establish a predictable framework for a fast screen of the unknown chemical space of HDACs. This work paves a new avenue for designing and developing potential HER catalysts.
Control Lyapunov‐barrier function‐based safe reinforcement learning for nonlinear optimal control
Authors: Wang Yujia , Wu Zhe
Published: November 2023

This article develops a safe reinforcement learning (SRL) algorithm for optimal control of nonlinear systems with input constraints. First, we design a novel performance index function by taking advantage of control Lyapunov‐barrier functions (CLBF) with inherent safety and stability properties to ensure closed‐loop stability and safety during operation under the optimal control policy. Additionally, since it is challenging to represent the CLBF‐based value function as an explicit function of process states, neural networks (NNs) are used to approximate the value function using the process operational data that indicate safe and unsafe operations. Theoretical results on the stability, safety, and optimality of the SRL algorithm are developed, accounting for the approximation error of the NN‐based value function. Finally, the efficacy of the proposed safe optimal control scheme is shown using an application to a chemical process example.
Palladium‐Catalyzed Synthesis of Bicyclic Derivatives from the Cyclization/1,4‐Difunctionalization of Bromoarenes with Diazo Compounds
Authors: Kato Hiroki , Fukuhara Yuki , Miyazaki Ryuya , Muto Kei , Yamaguchi Junichiro
Published: November 2023

A Pd‐catalyzed cyclization/1,4‐difunctionalization of bromoarenes bearing a carbon nucleophile with diazo compounds has been developed. The present reaction proceeds through a π‐benzyl palladium intermediate, whose reactivity is a key for the remarkable 1,4‐selectivity of this reaction, providing functionalized indans and tetralins.
Associations Between Social Network Characteristics and Brain Structure Among Older Adults
Authors: Manchella Mohit K. , Logan Paige E. , Perry Brea L. , Peng Siyun , Risacher Shannon L. , Saykin Andrew J. , Apostolova Liana G.
Published: November 2023

INTRODUCTION

Social connectedness is associated with slower cognitive decline among older adults. Recent research suggests that distinct aspects of social networks may have differential effects on cognitive resilience, but few studies analyze brain structure.

METHODS

This study includes 117 cognitively impaired and 59 unimpaired older adults. The effects of social network characteristics (bridging/bonding) on brain regions of interests were analyzed using linear regressions and voxel‐wise multiple linear regressions of gray matter density.

RESULTS

Increased social bridging was associated with greater bilateral amygdala volume and insular thickness, and left frontal lobe thickness, putamen, and thalamic volumes. Increased social bonding was associated with greater bilateral medial orbitofrontal and caudal anterior cingulate thickness, as well as right frontal lobe thickness, putamen, and amygdala volumes.

DISCUSSION

The associations between social connectedness and brain structure vary depending on the types of social enrichment accessible through social networks, suggesting that psychosocial interventions could mitigate neurodegeneration.

Highlights

Distinct forms of social capital are uniquely linked to gray matter density (GMD).

Bridging is associated with preserved GMD in limbic system structures.

Bonding is associated with preserved GMD in frontal lobe regions.

Bridging is associated with increased brain reserve in sensory processing regions.

Bonding is associated with increased brain reserve in regions of stress modulation.
Cinobufotalin prevents bone loss induced by ovariectomy in mice through the BMPs/SMAD and Wnt/β‐catenin signaling pathways
Authors: Lu Da‐zhuang , Zeng Li‐jun , Li Yang , Gu Ran‐li , Hu Meng‐long , Zhang Ping , Yu Peng , Zhang Xiao , Xie Zheng‐wei , Liu Hao , Zhou Yong‐sheng
Published: November 2023

Background

Osteoporosis is a chronic bone disease characterized by bone loss and decreased bone strength. However, current anti‐resorptive drugs carry a risk of various complications. The deep learning‐based efficacy prediction system (DLEPS) is a forecasting tool that can effectively compete in drug screening and prediction based on gene expression changes. This study aimed to explore the protective effect and potential mechanisms of cinobufotalin (CB), a traditional Chinese medicine (TCM), on bone loss.

Methods

DLEPS was employed for screening anti‐osteoporotic agents according to gene profile changes in primary osteoporosis. Micro‐CT, histological and morphological analysis were applied for the bone protective detection of CB, and the osteogenic differentiation/function in human bone marrow mesenchymal stem cells (hBMMSCs) were also investigated. The underlying mechanism was verified using qRT‐PCR, Western blot (WB), immunofluorescence (IF), etc.

Results

A safe concentration (0.25 mg/kg in vivo, 0.05 μM in vitro) of CB could effectively preserve bone mass in estrogen deficiency‐induced bone loss and promote osteogenic differentiation/function of hBMMSCs. Both BMPs/SMAD and Wnt/β‐catenin signaling pathways participated in CB‐induced osteogenic differentiation, further regulating the expression of osteogenesis‐associated factors, and ultimately promoting osteogenesis.

Conclusion

Our study demonstrated that CB could significantly reverse estrogen deficiency‐induced bone loss, further promoting osteogenic differentiation/function of hBMMSCs, with BMPs/SMAD and Wnt/β‐catenin signaling pathways involved.
Aggressive surgery for incisional hernia with necrotizing soft tissue infection highlighting unique abdominal findings
Authors: Tokumaru Teppei , Kurata Hideaki , Nakaebisu Rei , Tomioka Joji
Published: November 2023

Background

Surgery for incisional hernias with obesity can be more challenging because obesity is associated with perioperative complications. Necrotizing soft tissue infection (NSTI) is a life‐threatening condition that requires aggressive surgical management. Few incisional hernias with NSTI have been reported, and the optimal strategy is undetermined.

Case Presentation

A 66‐year‐old obese woman had been diagnosed with incisional hernia 4 years previously but was not treated. She presented with abdominal pain that had worsened 2 weeks previously. Emergency radical surgery was carried out for an incisional hernia with NSTI. The abdominal fascia was sutured directly without mesh. Negative pressure wound therapy was performed after surgery. The postoperative course was uneventful, without recurrence.

Conclusions

Aggressive surgery is a valid strategy for life‐threatening incisional hernias with NSTI. Strategies should be developed based on physiological and anatomical findings.
Jumping Platonic Solids on a Vibrating Plate
Authors: Dieckmann Niklas , Puzyrev Dmitry , Trittel Torsten , Stannarius Ralf
Published: November 2023

The mechanical excitation of solid bodies by a vibrating plate is not only an interesting fundamental problem, but also has relevance in many mechanical systems, for example, in the preparation of granular gases in microgravity. Herein, the energy input by an oscillating plate is numerically investigated as a function of the excitation parameters for selected Platonic solids and their behavior compared to that of a jumping sphere. The most important additional features, not relevant for spheres, are the excitation of body rotations and a permanent energy exchange between the rotational and translational degrees of freedom during the collisions with the plate. The distribution of kinetic energies is analyzed by a numerical simulation of the dynamics, using structures which emulate the mechanical behavior of regular polyhedra.
A Non‐Standard Coupling Between Quantum Systems Originated From Their Kinetic Energy
Authors: Shushi Tomer
Published: November 2023

In standard quantum mechanics, the coupling between quantum systems is described by a potential interaction term in the Hamiltonian. This type of coupling is well‐rooted in nature and shapes the universe around us, from the interactions between single photons to the attractive force between atoms that forms molecules. Quantum mechanics does not forbid other kinds of interactions to take place. In this paper, a non‐standard quantum coupling between quantum systems is proposed, originated from the kinetic energy rather than the potential interaction in the Hamiltonian. Unlike the potential‐based coupling, the proposed coupling changes the fundamental structure of quantum mechanics in the form of modified uncertainty relations that are shaped by the coupling between the particles in the system. Two prototypical examples of non‐standard systems that perform such kinetic‐based coupling are presented. In the first example, it considers a particle confined in a heterostructure, such as a quantum dot, where the coupling is between the particle and dynamic walls that determine the size of the heterostructure. The second example involves a particle in a 3D heterostructure with coupling between its position axes. It then discusses several future implications of the proposed type of non‐standard coupling.
Dual‐Targeting Biomimetic Semiconducting Polymer Nanocomposites for Amplified Theranostics of Bone Metastasis
Authors: Zhang Yijing , Wang Yue , Zhu Anni , Yu Ningyue , Xia Jindong , Li Jingchao
Published: November 2023

Bone metastasis is a type of metastatic tumors that involves the spreads of malignant tumor cells into skeleton, and its diagnosis and treatment remain a big challenge due to the unique tumor microenvironment. We herein develop osteoclast and tumor cell dual‐targeting biomimetic semiconducting polymer nanocomposites (SPFeNOC) for amplified theranostics of bone metastasis. SPFeNOC contain semiconducting polymer and iron oxide (Fe3O4) nanoparticles inside core and surface camouflaged hybrid membrane of cancer cells and osteoclasts. The hybrid membrane camouflage enables their targeting to both metastatic tumor cells and osteoclasts in bone metastasis through homologous targeting mechanism, thus achieving an enhanced nanoparticle accumulation in tumors. The semiconducting polymer mediates near‐infrared (NIR) fluorescence imaging and sonodynamic therapy (SDT), and Fe3O4 nanoparticles are used for magnetic resonance (MR) imaging and chemodynamic therapy (CDT). Because both cancer cells and osteoclasts are killed synchronously via the combinational action of SDT and CDT, the vicious cycle in bone metastasis is broken to realize high antitumor efficacy. Therefore, 4T1 breast cancer‐based bone metastasis can be effectively detected and cured by using SPFeNOC as dual‐targeting theranostic nanoagents. This study provides an unusual biomimetic nanoplatform that simultaneously targets osteoclasts and cancer cells for amplified theranostics of bone metastasis.
Organocatalyzed Photo‐Controlled Synthesis of Ultrahigh‐Molecular‐Weight Fluorinated Alternating Copolymers
Authors: Zhou Chengda , Zhang Zexi , Li Weiping , Chen Mao
Published: November 2023

Ultrahigh‐molecular‐weight (UHMW) polymers with tailored structures are highly desirable for the outstanding properties. In this work, we developed a novel photoorganocatalyzed controlled radical alternating copolymerizations of fluoroalkyl maleimide and diverse vinyl comonomers, enabling efficient preparation of fluorinated copolymers of predetermined UHMWs and well‐defined structures at high conversions. Versatility of this method was demonstrated by expanding to controlled terpolymerization, which allows facial access toward fluorinated terpolymers of UHMWs and functional pendants. The obtained copolymers exhibited attractive physical properties and furnished thermoplastic, anticorrosive and (super)hydrophobic attributes as coatings on different substrates. Molecular simulations provided insights into the coating morphology, which unveiled a fluorous protective layer on the top surface with polar groups attached to the bottom substrate, resulting in good adhesion and hydrophobicity, simultaneously. This synthetic method and customized copolymers shed light on the design of high‐performance coatings by macromolecular engineering.
Mg(C3O4H2)(H2O)2: A New Ultraviolet Nonlinear Optical Material Derived from KBe2BO3F2 with High Performance and Excellent Water‐Resistance
Authors: Wu Lingli , Lin Chensheng , Tian Haotian , Zhou Yuqiao , Fan Huixin , Yang Shunda , Ye Ning , Luo Min
Published: November 2023

Acquiring high‐performance ultraviolet (UV) nonlinear optical (NLO) materials that simultaneously exhibit a strong second harmonic generation (SHG) coefficients, as short as possible SHG phase‐matching (PM) wavelength and non‐hygroscopic properties has consistently posed a significant challenge. Herein, through multicomponent modification of KBe2BO3F2 (KBBF), an excellent UV NLO crystal, Mg(C3O4H2)(H2O)2, was successfully synthesized in malonic system. This material possesses a unique 2D NLO‐favorable electroneutral [Mg(C3O4H2)3(H2O)2]∞ layer, resulting in the rare coexistence of a strong SHG response of 3×KDP (@1064 nm) and short PM wavelength of 200 nm. More importantly, it exhibits exceptional water resistance, which is rare among ionic organic NLO crystals. Theoretical calculations revealed that its excellent water‐resistant may be originated from its small available cavity volumes, which is similar to the famous LiB3O5 (LBO). Therefore, excellent NLO properties and stability against air and moisture indicate it should be a promising UV NLO crystal.
A General Synthesis of Nanostructured Conductive Metal–Organic Frameworks from Insulating MOF Precursors for Supercapacitors and Chemiresistive Sensors
Authors: Huang Chuanhui , Sun Weiming , Jin Yingxue , Guo Quanquan , Mücke David , Chu Xingyuan , Liao Zhongquan , Chandrasekhar Naisa , Huang Xing , Lu Yang , Chen Guangbo , Wang Mingchao , Liu Jinxin , Zhang Geping , Yu Minghao , Qi Haoyuan , Kaiser Ute , Xu Gang , Feng Xinliang , Dong Renhao
Published: November 2023

Two‐dimensional conjugated metal–organic frameworks (2D c‐MOFs) are emerging as a unique subclass of layer‐stacked crystalline coordination polymers that simultaneously possess porous and conductive properties, and have broad application potential in energy and electronic devices. However, to make the best use of the intrinsic electronic properties and structural features of 2D c‐MOFs, the controlled synthesis of hierarchically nanostructured 2D c‐MOFs with high crystallinity and customized morphologies is essential, which remains a great challenge. Herein, we present a template strategy to synthesize a library of 2D c‐MOFs with controlled morphologies and dimensions via insulating MOFs‐to‐c‐MOFs transformations. The resultant hierarchically nanostructured 2D c‐MOFs feature intrinsic electrical conductivity and higher surface areas than the reported bulk‐type 2D c‐MOFs, which are beneficial for improved access to active sites and enhanced mass transport. As proof‐of‐concept applications, the hierarchically nanostructured 2D c‐MOFs exhibit a superior performance for electrical properties related applications (hollow Cu‐BHT nanocubes‐based supercapacitor and Cu‐HHB nanoflowers‐based chemiresistive gas sensor), achieving over 225 % and 250 % improvement in specific capacity and response intensity over the corresponding bulk type c‐MOFs, respectively.
Grain‐growth Inhibitor with Three‐section‐sintering for Highly Dispersed Single‐crystal NCM90 Cubes
Authors: Huang Hao , Zhu Hongjian , Gao Jian , Wang Jiantao , Shao Minhua , Zhou Weidong
Published: November 2023

Single crystallization of LiNixCoyMn1‐x‐yO2(NCM) is currently an effective strategy to improve the cycling life of NCM cathode, owing to the reduced surface area and enhanced mechanical strength, but the application of single crystal NCM(SC‐NCM) is being hindered by severe particle agglomeration and poor C‐rate performance. Here, a strategy of three‐section‐sintering(TSS) with the presence of grain‐growth inhibitor was proposed, in which, the TSS includes three sections of phase‐formation, grain‐growth and phase‐preservation. While, the addition of MoO3 inhibits the grain growth and restrains the particle agglomeration. With the help of TSS and 1 mol % of MoO3, highly dispersed surface Mo‐doped SC‐NCM(MSC‐NCM) cubes are obtained with the average diameter of 1.3 μm. Benefiting from the surface Mo‐doping and the reduced surface energy, the Li+‐migration preferred (1 0 4) crystalline facet is exposed as the dominant plane in MSC‐NCM cubes, because of which, C‐rate performance is significantly improved compared with the regular SC‐NCM. Furthermore, this preparation strategy is compatible well with the current industrial production line, providing an easy way for the large‐scale production of SC‐NCM.
Controlled cluster expansion at a Zintl cluster surface
Authors: Townrow Oliver P. E. , Weller Andrew S. , Goicoechea Jose M.
Published: November 2023

Reaction of the tris‐hypersilyl nonagermanide Zintl cluster salt, K[Ge9(Hyp)3] (Hyp=Si(SiMe3)3) with [Rh(η2,η2‐L)Cl]2 (L=1,5‐cyclooctadiene, COD; norbornadiene, NBD) afforded eleven‐ and twelve‐vertex homo‐multimetallic clusters by cluster core expansion. Using a stepwise procedure, starting from the Zintl cluster [Rh(COD){Ge9(Hyp)3}] and [Ir(COD)Cl]2, this methodology was expanded for the synthesis of eleven‐vertex hetero‐multimetallic clusters. A mechanism for the formation of these first examples of closo eleven‐vertex Zintl clusters is proposed, informed by density functional theory calculations.
Study on porous layer formation kinetics under CO2‐aqueous conditions via partial‐bounceback lattice Boltzmann method
Authors: Chen Jukai , Wang Xiaodan , Wang Yueshe , Li Haisheng , Chen Yinghua
Published: November 2023

The porous layer of FeCO3, as a main corrosion product in CO2 aqueous environments, has a critical influence on corrosion kinetics. However, multi‐physicochemical processes are involved in the evolution of the FeCO3 porous layer, such as homogeneous chemical reactions, multi‐component transport, and dissolution/precipitation at the solid–fluid interface, which is notoriously complicated to be totally understood. This study builds a numerical framework based on partial‐bounceback lattice Boltzmann method to investigate the reactive transport in the evolving porous layer. Experimental observations on polarization behavior confirm the model performance. Results show that the formation of a protective FeCO3 film is self‐promoted under anodic polarization in CO2‐saturated alkaline solutions and the “self‐promoted” effect is highly associated with local water chemistry at the interface. The interfacial FeCO3 supersaturation is several orders of magnitude higher than that of the bulk, while the interfacial concentrations of CO32− and HCO3− are slightly changed from bulk. The growing porous layer hinders Fe2+ from transporting away from the interface, promotes the precipitation of FeCO3, and further facilitates a denser film to inhibit anodic processes, which is another manifestation of the self‐promoted effect.
Double regulation of conductivity by adhesive hydrogel based on catechol‐modified sodium alginate /acrylamide hydrogel with silver ions
Authors: Zhou Hairuo , Niu Xiao , Ding Xuanxuan , Yu Fei , Yang Hua
Published: November 2023

The purpose of this study is to explore how to control the conductivity of gel conveniently and effectively through experiments. First, a kind of acrylamide‐based composite with adhesion and conductivity adjustment was prepared by adding silver ions and silver monomers to the gel in one step. The semi interpenetrating network structure formed by the molecular chain of polyacrylamide and catechol modified sodium alginate in the composite is cross‐connected with silver ions to form a double network structure. This change of network structure not only makes the structure of gel more stable, but also brings extraordinary conductivity. Secondly, different types of conductive ions and organic solutions were added to the gel system. Electrochemical impedance spectroscopy showed that the addition of silver enhanced the conductivity of the material; When NaNO3 is used to replace water molecules in PAM, the ionic conductivity can be increased by 75.3% (from 2.44 × 10−5 to 20.8 × 10−5 mscm−1). When PDA/PAM was soaked in AgNO3, the ionic conductivity increased in the range of 10.4% ~ 674%. It provides a novel strategy for controlling the conductivity of composite materials.
Stretchable and ultra‐light non‐woven thermal material with effective photo‐thermal conversion based on solution blow spinning technology
Authors: Liu Fan , Liang Yuan , Xiang Hewei , Li Wenbo , Liang Hengtao , Shao Weili , Li Xiang , Han Pengju , He Jianxin , Yuan Zupei
Published: November 2023

An ideal insulation material has long been envisioned as one that not only minimizes heat loss but also provides additional heat. This study presents a non‐woven fabric, comprising ultra‐fine fibers embedded with zirconium carbide nanoparticles (ZrC NPs), prepared via solution blow spinning (SBS) and thermal crosslinking technology. Our results suggest that the fluffily‐structured elastomer, fabricated using rigid polystyrene and flexible polyurethane, exhibits high porosity (96.96%), ultra‐light characteristics (volume density of 47.12 mg cm−3), and effective heat retention (thermal conductivity of 23.1 mW mK−1 at −40°C). Moreover, the fabric demonstrates remarkable fracture strength (206.38 kPa), high elongation at break (34.5%), and superior elasticity even after 100 compression cycles at 40% strain. Despite the fact that introducing 12% ZrC increases the thermal conductivity of the base fabric by 6%, the NPs endow the material with an excellent photothermal conversion function. Following 10 min of exposure to visible light, the surface temperature increases to 71.5°C. Given its impressive performance, this novel non‐woven fabric demonstrates significant potential for applications in the field of cold protection.
Ternary system based on polyaniline, graphene, and acrylic matrix applied to thermoelectric systems
Authors: Costa Ana Clara Soares , Furtado Clascídia Aparecida , Oréfice Rodrigo Lambert
Published: November 2023

Thermoelectric (TE) materials have attracted attention for offering a green option for power generation, due to their ability to convert thermal energy into electricity. In recent years, a promising way to achieve efficiency in TE properties has been proposed based on composites of conjugated polymers, such as polyaniline (PANI), and carbon nanomaterials such as graphene (GR). Since polyaniline and GR composites are promising fillers for organic thermoelectric materials (OTE), we expanded their investigations for a ternary system (TS), providing materials with multiple functionalities, and high performance. In this research work, a TS based on an acrylic matrix (ACR), GR, and PANI was successfully prepared through the combination of in situ polymerization of aniline in contact with GR and mechanical mixture of the resulting hybrid with an ACR. Structural and morphological characterization confirmed that GR affected PANI morphology and crystallinity. The band gap determination by Tauc's relation indicated the occurrence of π‐π interaction between the chains and an increase of the electrical conductivity of the composites allowed to infer a synergistic effect. The measured Seebeck coefficient reached a maximum value of −17.02 μVK−1 and the highest power factor obtained was 4.94 μWm−1 K−2 for the ACR/PANI sample, indicating a material with promising thermoelectric properties.
Preparation of OVA‐loaded γ‐PGA/CS nanocomposite delivery vector and its immune response
Authors: Hu Shan , Liu Ruiqi , Hu Sheng , Ye Jianfeng , Chen Sheng , Ye Xiaozhou , Wang Yun
Published: November 2023

To improve the stability and immunization of proteins or peptides after vaccination, choosing biodegradable and biocompatible materials to encapsulate protein ovalbumin (OVA) is necessary. In this study, we aim to construct OVA‐loaded γ‐polyglutamic acid (γ‐PGA)/chitosan (CS) nanoparticles (NPs) using ionic cross‐linking and poly‐electrolyte composite methods and to explore its immune effect in mice. The as‐constructed γ‐PGA/CS/OVA NPs, with a positive charge on the surface, were uniformly round. Additionally, the particle size range of the as‐constructed γ‐PGA/CS/OVA NPs was 200–400 nm. Furthermore, the sodium dodecyl sulfate (SDS)‐PAGE analysis showed that OVA in γ‐PGA/CS/OVA NPs had high structural integrity. The conditions of preparing γ‐PGA/CS/OVA NPs were optimized in detail, and it was found that the resultant loading capacity of NPs achieved 207.7 ± 11.1 μg/mg. MTT assay showed that γ‐PGA/CS NPs have good biocompatibility. The results of immune experiments in mice showed that compared with OVA not wrapped with γ‐PGA/CS composite carrier, γ‐PGA/CS/OVA NPs can induce a stronger immune response through humoral immunity in vivo. Overall, these findings demonstrated that γ‐PGA/CS NPs can be regarded as a good protein delivery system to enhance the immune response in vivo.
A solid–solid phase change material with wide service temperature range based on polyethylene glycols with different molecular weights
Authors: Chang Jinming , Lu Huiyu , Xiao Yulong , Wu Sha , Xiao Yao , Wang Yuechuan
Published: November 2023

The service temperature ranges of existing polyethylene glycol (PEG)‐based solid–solid phase change materials (SSPCMs) and form‐stable PCMs (FSPCMs) are always above 0°C, which are not very suitable for the thermal energy storage and thermal management in cold area. In this study, we prepared a SSPCM based on the PEGs with different molecular weights. PEG‐200, PEG‐400, PEG‐600, and PEG‐1000 were reacted with isophorone diisocyanate forming a polyurethane with physical crosslinking structure. Meanwhile, PEG‐4000 and PEG‐20000 were physically blended with the polymer obtaining the SSPCM. PEG‐200, PEG‐400, PEG‐600, and PEG‐1000 were employed together to prepare PEG‐based PCMs for the first time. The physical crosslinking structure of the polymer restricts the movement of the PEG segments at high temperature, showing solid–solid phase transition, avoiding the leakage of the material. This SSPCM has a service temperature range between −27.4 and 73.2°C, which is wider than those of the existing PEG‐based SSPCMs and FSPCMs, showing outstanding ability for thermal energy storage and thermal management under different climate conditions.
In‐situ generated ZnO nanoparticles for enhanced performance of thin film nanocomposite membrane in forward osmosis process
Authors: Hakimi Ghazal , Shakeri Alireza , Salehi Hasan
Published: November 2023

This work developed a novel approach to the in‐situ synthesis of ZnO nanoparticles to modify the polysulfone (PSf) porous membrane substrate. The zinc acetate was added to the casting solution, and ZnO nanoparticles were synthesized during phase inversion. The non‐solvent pH and zinc acetate concentration controlled the ZnO synthesis and loading. Their effect on the substrates properties in terms of morphology, hydrophilicity and porosity was studied thoroughly. The result shows that the ZnO nanoparticles was not formed in acidic pH, while ZnO nanoparticles with size of 20 nm could be easily formed in basic pH. The successful synthesis of ZnO nanoparticles was investigated using FTIR and EDX analysis. The EDX images verify that in‐situ synthesis led to a more uniform dispersion than conventional incorporation method. Then the effect of ZnO loading on the interfacial reaction and polyamide (PA) structure was investigated. SEM images verify the successful synthesis of a uniform and defect‐free PA thin film on ZnO modified substrates. FO performance results show an enhancement in water flux and salt rejection as a result of ZnO incorporation in thin film nanocomposite (TFN) membranes, where TFN 1 wt.% in‐situ membrane showed 40% higher water flux than the control TFC membrane. The porous and hydrophile substrate in TFN 1 wt.% in‐situ membrane is responsible for improved separation performance. These modified membranes displayed uniform dispersion of ZnO nanoparticles within substrates, confirming that this method could effectively restrain the aggregation of the nanoparticles.
A novel alkylpolyglucoside‐modified montmorillonite‐filled starch bionanocomposites produced by extrusion
Authors: Alves Jefferson Lopes , Tadini Carmen Cecilia
Published: November 2023

Native cassava starch was modified by dry heating treatment, and sodic montmorillonite was modified using an alkylpolyglucoside biosurfactant to produce a novel montmorillonite‐filled starch bionanocomposites with improved performance. The bionanocomposites were produced in two extrusion steps using a co‐rotating twin‐screw extruder. The structural properties of the bionanocomposites were studied by X‐ray diffraction. The reinforcement effect and material performance were evaluated by hydrophobicity, solubility, opacity, barrier, thermal and mechanical properties. In general, the dispersion of the nanofillers resulted in bionanocomposites with intercalated structures and improved properties compared with unfilled bioplastics. The main results exhibited that modified montmorillonite showed better compatibility with starch, improving nanofiller dispersion and interaction than the native one. As a result, it increased the hydrophobicity and reduced solubility, water, and oxygen permeabilities in comparison with bionanocomposites based on native starch by 36%, 48%, and 68%, respectively. Also, the tensile strength and Young modulus increased from 0.60 to 2.56 MPa and from 2.99 to 15.68 MPa, respectively. In conclusion, modification of MMT by the biosurfactant is a good approach to enhance dispersion/interaction with the starch matrix.
Anisotropy unveiled ∆g spin‐mixing for magnetotransport in conducting polymers
Authors: Guo Zean , Wang Jiawei , Shan Yu , Hu Ke , Lu Nianduan , Li Mengmeng , Bi Chong , Li Ling
Published: November 2023

Understanding magnetotransport properties in semiconductors plays a vital role in either developing future spintronic or unveiling the underpinning physics of electronic dynamics. In recent years, the high‐field magnetoconductance (HFM, B ~ 1 T) in polymers has drawn intense discussions and always been attributed to thermal spin polarization (TSP). In this work, the HFMs in several benchmark polymers are proposed to be correlated to the ∆g spin‐mixing effect, determined from their remarkable anisotropy in response to magnetic fields, which cannot be explained only by TSP. It is the fundamental difference between two spins' Lande factors stemming from the random orientations of molecular backbones that contributes to the intense ∆g spin‐mixing effect, leading to HFMs' anisotropy as high as 150%. It is further found that the ∆g spin‐mixing mechanism greatly correlates with the charge transport dynamics in polymers, in which a slow‐ to fast‐hopping crossover was observed and further verified by pressure‐dependent HFMs characteristics.
Stimuli‐responsive colorimetric polydiacetylene sensor in polar organic solvent
Authors: Ma Chaoqun , Hu Li , Jiang Li , Huang Wenyan , Yang Hongjun , Jiang Qimin , Jiang Bibiao
Published: November 2023

Polydiacetylene (PDA) has been actively employed as sensing vehicles owing to its unique colorimetric feature upon environmental stimulation. Here, blue phase PDA has been constructed by topological polymerization of commercial diacetylene acid (DA) noncovalently modified by guest amines. Specifically, PDA including 1‐naphthylmethylamine noncovalently bonded on both sides exhibits long‐term stability in polar organic solvents. The stability of PDA depended upon both the structures of the DA and the guest molecule, underscoring a stabilizing mechanism dominated by noncovalent bonding and strong π–π interaction. Accordingly, the blue phase PDA shows a colorimetric response from blue to red upon exposure to stimuli influencing noncovalent bonding and π–π interaction, such as elevated temperature, the existence of acid or alkali at concentrations as low as 50 ppm. Therefore, the PDA developed in this study has the potential of serving as a colorimetric sensor for detecting subtle environment changes and especially for measuring the quality of polar organic solvents recovered from industrial effluent.
Cloning of suppressor of cytokine signaling 7 from silkworm (Bombyx mori) and its response to the infection of Bombyx mori nucleopolyhedrovirus
Authors: Wang Qian , Cui Miao , Zhang Cong , Xia Anqi , Wang Qiang , Liu Xiaoyong , Chen Keping , Xia Hengchuan
Published: November 2023

Suppressors of cytokine signaling (SOCS) play important roles in the regulation of growth, development, and immunity of eukaryotic organisms. SOCS7 is an important member of the SOCS family, but its physiological and pathological functions remain largely unknown in invertebrates including insects. Here, we first report the cloning of a SOCS7 gene from a domesticated silkworm (Bombyx mori), named BmSOCS7. We have characterized BmSOCS7 expression profiles in silkworm varieties susceptible or resistant to the infection of Bombyx mori nucleopolyhedrovirus (BmNPV) using the real‐time fluorescence quantitative PCR. BmSOCS7 expresses highly in embryogenesis and lowly in metamorphosis in resistant silkworms but does in opposite contrast in susceptible silkworms. Its expression is at very low level in the fat body of resistant silkworms but is relatively high in the fat body of susceptible ones. BmNPV inoculation induces a transient downregulation and then a general upregulation of BmSOCS7 expression in BmN cells, while it induces a general downregulation in silkworm midgut, fat body and hemolymph with more pronounced effect in resistant silkworms than susceptible ones and more prominent in the fat body and hemolymph than the midgut. Together, our work reveals that downregulation of BmSOCS7 expression may be an important strategy for silkworm anti‐BmNPV immune response, and BmSOCS7 may mainly function in the fat body and hemolymph rather than the midgut to participate in BmNPV infection process.
New mitogenomes from the genus Cricotopus (Diptera: Chironomidae, Orthocladiinae): Characterization and phylogenetic implications
Authors: Li Shu‐Yi , Chen Meng‐Han , Sun Li , Wang Rui‐Hao , Li Chen‐Hong , Gresens Susan , Li Zhao , Lin Xiao‐Long
Published: November 2023

Cricotopus is a large and diverse genus of non‐biting midges composed of several subgenera. Complete mitogenome sequences are available for very few Cricotopus species. The subgenus Pseudocricotopus unites species with unusual morphological structures in adult male and pupal stages, however, molecular methods are needed to verify the placement of this subgenus within Cricotopus. We obtained mitogenomes of C. (Pseudocricotopus) cf. montanus and nine other Cricotopus species for phylogenetic analysis, coupled with two Rheocricotopus species and one Synorthocladius species as outgroups. The structure of the mitogenome was similar among these Cricotopus species, exhibiting A+T bias and retaining ancestral gene order. Mutation rate, estimated as Ka/Ks, varied among genes, and was highest for ATP8 and lowest for COI. The phylogenetic relationships among species of Cricotopus, Rheocricotopus and Synorthocladius was reconstructed using Bayesian inference and maximum likelihood estimation. The phylogenetic trees confirmed placement of subgenus Pseudocricotopus, represented by Cricotopus cf. montanus, within Cricotopus. Our study increases the library of chironomid mitogenomes and provides insight into the properties of their constituent genes.
Molecular characterization and functional analysis of a beta‐1,3‐glucan recognition protein from oriental fruit moth Grapholita molesta (Lepidoptera: Tortricidae)
Authors: Cao Zhishan , Cao Jinjun , Vlasenko Volodymyr , Bakumenko Olha , Li Weihai
Published: November 2023

The beta‐1,3‐glucan recognition protein (BGRP) is an important pattern recognition protein (PRP), which plays an important role in immune recognition and signaling pathway of insect innate immunity. Herein, a BGRP gene was obtained from the transcriptome of Grapholita molesta and its expression was verified by PCR. The full cDNA of the GmBGRP gene was 1691 bp encoding 486 amino acid residues. The calculated molecular mass of the mature protein was 54.83 kDa with an estimated pI of 6.14. The amino acid sequence of GmBGRP was highly homologous to BGRPs of other lepidopterans including Leguminivora glycinivorella BGRP‐3. Expression profile of GmBGRP at different developmental stages and different tissues of 5th instar larvae showed that the expression level of this gene tends to slightly increase and then decrease at the adult stage, with the highest at the pupa stage; and mainly expressed in the epidermis, fat body and hemocytes compared with other tissues. In addition, we investigated the transcription levels of other immune‐related genes, such as Serine‐1, Serine‐2, Serine‐3, Serpin, SRCB (scavenger receptor gene), Toll, PPO (prophenoloxidase) upon GmBGRP gene silencing, indicating that GmBGRP expression is associated with immune responses of G. molesta. This was further supported by the upregulation of the mRNA level of GmBGRP following fungal infection. Taken together, these results provide experimental evidence for the role of GmBGRP gene in immune defense in G. molesta larvae.
1,2,3‐Triazole‐based esters and carboxylic acids as nonclassical carbonic anhydrase inhibitors capable of cathepsin B inhibition
Authors: Siwach Kiran , Rani Manishita , Vats Lalit , Giovannuzzi Simone , Paul Avijit Kumar , Brahma Mettle , Kumari Neetu , Maruthi Mulaka , Raghav Neera , Supuran Claudiu T. , Sharma Pawan K.
Published: November 2023

Herein, we report the design and synthesis of a library of 28 new 1,2,3‐triazole derivatives bearing carboxylic acid and ester moieties as dual inhibitors of carbonic anhydrase (CA) and cathepsin B enzymes. The synthesised compounds were assayed in vitro for their inhibition potential against four human CA (hCA) isoforms, I, II, IX and XII. The carboxylic acid derivatives displayed low micromolar inhibition against hCA II, IX and XII in contrast to the ester derivatives. Most of the target compounds showed poor inhibition against the hCA I isoform. 4‐Fluorophenyl appended carboxylic acid derivative 6c was found to be the most potent inhibitor of hCA IX and hCA XII with a KI value of 0.7 μM for both the isoforms. The newly synthesised compounds showed dual inhibition towards CA as well as cathepsin B. The ester derivatives exhibited higher % inhibition at 10−7 M concentration as compared with the corresponding carboxylic acid derivatives against cathepsin B. The results from in silico studies of the target compounds with the active site of cathepsin B were found in good correlation with the in vitro results. Moreover, two compounds, 5i and 6c, showed cytotoxic activity against A549 lung cancer cells, with IC50 values lower than 100 μM.
Discovery of novel harmine derivatives as GSK‐3β/DYRK1A dual inhibitors for Alzheimer's disease treatment
Authors: Qiu Jingsong , Feng Xiangling , Chen Huanhua , Liu Wenwu , Liu Wenjie , Wu Limeng , Gao Xudong , Liu Yanfang , Huang Yaoguang , Gong Hao , Qi Yiming , Xu Zihua , Zhao Qingchun
Published: November 2023

Multitarget‐directed ligands (MTDLs) have recently attracted significant interest due to their superior effectiveness in multifactorial Alzheimer's disease (AD). Combined inhibition of two important AD targets, glycogen synthase kinase‐3β (GSK‐3β) and dual‐specificity tyrosine phosphorylation‐regulated kinase 1A (DYRK1A), may be a breakthrough in the treatment of AD. Based on our previous work, we have designed and synthesized a series of novel harmine derivatives, investigated their inhibition of GSK‐3β and DYRK1A, and evaluated a variety of biological activities. The results of the experiments showed that most of these compounds exhibited good activity against GSK‐3β and DYRK1A in vitro. ZLQH‐5 was selected as the best compound due to the most potent inhibitory effect against GSK‐3β and DYRK1A. Molecular docking studies demonstrated that ZLQH‐5 could form stable interactions with the ATP binding pocket of GSK‐3β and DYRK1A. In addition, ZLQH‐5 showed low cytotoxicity against SH‐SY5Y and HL‐7702, good blood–brain barrier permeability, and favorable pharmacokinetic properties. More importantly, ZLQH‐5 also attenuated the tau hyperphosphorylation in the okadaic acid SH‐SY5Y cell model. These results indicated that ZLQH‐5 could be a promising dual‐target drug candidate for the treatment of AD.