bluuebunny/crossref_metadata_2025 huggingface dataset:
Extremely Stable, Multidirectional, All‐in‐One Piezoelectric Bending Sensor with Cycle up to Million Level
Authors: Yan Chao , Li Xiangming , Wang Xiaopei , Liu Guifang , Yang Zhengjie , Tian Hongmiao , Wang Chunhui , Chen Xiaoliang , Shao Jinyou
Published: July 2024

Flexible bending sensors are crucial components of flexible/wearable electronics. However, their broad application is restricted by their difficulty in sensing different bending directions and, more importantly, their significant output attenuation after long cycles. Herein, a new design of an All‐in‐One piezoelectric bending sensor is proposed, in which double‐deck, cross‐over 3D interdigital microelectrodes (silver nanowires (Ag NWs)) are embedded in a piezoelectric polymer film (poly(vinylidene fluoride‐trifluoroethylene (P(VDF‐TrFE))). The piezoelectric film with the embedded 3D microelectrodes exhibits a high anisotropy coefficient ( > 1) based on dual piezoelectric modes (d31 and d33), which renders it more sensitive to different bending directions. More importantly, the homogeneous interconnected interface and heterogeneous microinterlocked interface formed inside the sensor significantly enhance its interface mechanical properties, with at least a tensile strength of 51 MPa, a shear strength of 28 MPa, and an interfacial toughness of 300 J m−2, which are nearly two orders of magnitude greater than those of conventional sandwich architectures. The prepared All‐in‐One sensor shows an extremely stable piezoelectric output over as many as 16 00 000 bending cycles, which represents a remarkable breakthrough. Furthermore, a single sensor can be used to remotely control the multidirectional motion of a smart car, demonstrating enormous potential in practical applications.
Engineering Single‐Atom Catalysts on Conjugated Porphyrin Polymer Photocatalysts via E‐Waste for Sustainable Photocatalysis
Authors: Bayarkhuu Bolormaa , Cho Hyekyung , Cho Gaeun , Hong Jeeho , Hong Yeongran , Baek Se‐Woong , Yang Sungeun , Yavuz Cafer T. , Kim Han Seul , Byun Jeehye
Published: July 2024

This study presents a surface engineering strategy utilizing electronic waste (e‐waste) to incorporate single‐atom catalysts on conjugated polymers. Employing a conjugated porphyrin polymeric photocatalyst, gold single‐atom‐site catalysts are successfully introduced using the acidic metal leachates from e‐waste, where metal speciation and composition are regulated during the metal loading processes. The resulting photocatalyst with gold single atoms demonstrates a remarkable hydrogen peroxide (H2O2) selectivity of up to 97.56%, yielding a pure H2O2 solution at 73.3 µm h−1 under white LED illumination. The produced H2O2 is activated to •OH radicals on the same polymer with mixed gold and iron atoms, enabling a photo‐Fenton reaction and the complete degradation of toxic microcystin‐LR within 10 min under visible light. This study highlights the universal applicability of the metal mining strategy in various photoreactions. It is believed that this discovery pioneers sustainable photocatalysis, allowing the tuning of reactivity and selectivity on photocatalytic surfaces using metal waste.
Controlled Release of Ceria and Ferric Oxide Nanoparticles via Collagen Hydrogel for Enhanced Osteoarthritis Therapy
Authors: Chen Xian , Wang Lili , Zhang Jingting , Yan Huiyu , Wang Shenghong , Xiao Jianxi
Published: July 2024

Osteoarthritis (OA), characterized by chronic inflammation and cartilage degeneration, significantly affects over 500 million people globally. Nanoparticles have emerged as promising treatments for OA; however, current strategies often employ a single type of nanoparticle targeting specific disease stages, limiting sustained therapeutic efficacy. In this study, a novel collagen hydrogel is introduced, thiol crosslinked collagen‐cerium oxide‐poly(D,L‐lactic‐co‐glycolic acid) microspheres encapsulating nanoparticles (CSH‐CeO2‐pFe2O3), designed for the controlled release of cerium oxide (CeO2) and ferric oxide (Fe2O3) nanoparticles for comprehensive OA management. The sulfhydryl cross‐linked collagen matrix embeds CeO2 nanoparticles and poly(D,L‐lactic‐co‐glycolic acid) (PLGA) microspheres encapsulating Fe2O3 nanoparticles. The CSH‐CeO2‐pFe2O3 hydrogel exhibits enhanced mechanical strength and remarkable injectability, along with a significant promotion of cell adhesion, proliferation, and chondrogenic differentiation. Notably, the hydrogel demonstrates intelligent responsiveness to high levels of reactive oxygen species, initiating the rapid release of CeO2 nanoparticles to address the intense inflammatory responses of early‐stage OA, followed by the sustained release of Fe2O3 nanoparticles to facilitate cartilage regeneration during the proliferative phase. In a rat model with cartilage defects, the hydrogel significantly alleviates inflammation and enhances cartilage regeneration, holding substantial potential for effectively managing the pathologically complex OA.
Synergistic Strategies of Biomolecular Transport Technologies in Transdermal Healthcare Systems
Authors: Han Jieun , Choi Yi‐Jeong , Kang Seung‐Kyun
Published: August 2024

Transdermal healthcare systems have gained significant attention for their painless and convenient drug administration, as well as their ability to detect biomarkers promptly. However, the skin barrier limits the candidates of biomolecules that can be transported, and reliance on simple diffusion poses a bottleneck for personalized diagnosis and treatment. Consequently, recent advancements in transdermal transport technologies have evolved toward active methods based on external energy sources. Multiple combinations of these technologies have also shown promise for increasing therapeutic effectiveness and diagnostic accuracy as delivery efficiency is maximized. Furthermore, wearable healthcare platforms are being developed in diverse aspects for patient convenience, safety, and on‐demand treatment. Herein, a comprehensive overview of active transdermal delivery technologies is provided, highlighting the combination‐based diagnostics, therapeutics, and theragnostics, along with the latest trends in platform advancements. This offers insights into the potential applications of next‐generation wearable transdermal medical devices for personalized autonomous healthcare.
Neutrophil Extracellular Traps‐Inspired Bismuth‐Based Polypeptide Nanonets for Synergetic Treatment of Bacterial Infections
Authors: Xiao Jiang , Guo Zengchao , Lv Gang , Yan Zhihong , Liu Tengfei , Wang Yihan , Liu Hao , Martínez Jesús , Yin Lihong , Liu Xiaohui , Jiang Hui , Weizmann Yossi , Wang Xuemei
Published: July 2024

Excessive use of antibiotics and the formation of bacterial biofilms can lead to persistent infections caused by drug‐resistant bacteria, rendering ineffective immune responses and even life‐threatening. There is an urgent need to explore synergistic antibacterial therapies across all stages of infection. Drawing inspiration from the antibacterial properties of neutrophil extracellular traps (NETs) and integrating the bacterial biofilm dispersal mechanism involving boronic acid–catechol interaction, the multifunctional bismuth‐based polypeptide nanonets (PLBA‐Bi‐Fe‐TA) are developed. These nanonets are designed to capture bacteria through a coordination complex involving cationic polypeptides (PLBA) with boronic acid‐functionalized side chains, alongside metal ions (bismuth (Bi) and iron (Fe)), and tannic acid (TA). Leveraging the nanoconfinement‐enhanced high‐contact network‐driven multiple efficiency, PLBA‐Bi‐Fe‐TA demonstrates the excellent ability to swiftly capture bacteria and their extracellular polysaccharides. This interaction culminates in the formation of a highly hydrophilic complex, effectively enabling the rapid inhibition and dispersion of antibiotic‐resistant bacterial biofilms, while Fe‐TA shows mild photothermal ability to further assist fluffy mature biofilm. In addition, Bi is beneficial to regulate the polarization of macrophages to pro‐inflammatory phenotype to further kill escaping biofilm bacteria. In summary, this novel approach offers a promising bionic optimization strategy for treating bacterial‐associated infections at all stages through synergetic treatment.
Acetonitrile‐Based Local High‐Concentration Electrolytes for Advanced Lithium Metal Batteries
Authors: Li Menghao , Liu Yue , Yang Xuming , Zhang Qing , Cheng Yifeng , Deng Li , Zhou Qiwei , Cheng Tao , Gu M. Danny
Published: July 2024

Acetonitrile (AN) is a compelling electrolyte solvent for high‐voltage and fast‐charging batteries, but its reductive instability makes it incompatible with lithium metal anodes (LMAs). Herein, 1,1,2,2‐tetrafluoroethyl‐2,2,3,3‐tetrafluoropropyl ether (TTE) is used as the diluent to build an AN‐based local high‐concentration electrolyte (LHCE) to realize dense, dendrite‐free, and stable LMAs. Such LHCE exhibits an exceptional electrochemical stability window close to 6 V (vs Li+/Li), excellent wettability, and promising flame retardancy. Compared to a baseline carbonate‐based electrolyte, its electrochemical performance is prominent: the overpotential of lithium nucleation is minimal (only 24 mV), the average half‐cell coulombic efficiency (CE) reaches 99.5% at 0.5 mA cm−2, and its practicality in full cells with LiFePO4 (LFP) and LiNi0.8Co0.1Mn0.1O2 (NCM811) cathodes is also demonstrated. Compounding factors are identified to decipher the superiority of the AN‐based LHCE. From the respect of solvation structures, both the elimination of free AN molecule and the diluent separation would contribute to prevention of anodic AN decomposition. Based on cryogenic electron microscopy (Cryo‐EM) characterization and theoretical simulations results, the produced solid‐electrolyte interphase (SEI) layer is uniform and compact. Thus, this work demonstrates a successful application of AN‐based electrolytes in LMAs—traditionally deemed impractical—via the combined regulation of solvation and SEI structures.
Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
Authors: Daglar Hilal , Gulbalkan Hasan Can , Aksu Gokhan Onder , Keskin Seda
Published: July 2024

Metal–organic frameworks (MOFs), renowned for their exceptional porosity and crystalline structure, stand at the forefront of gas adsorption and separation applications. Shortly after their discovery through experimental synthesis, computational simulations quickly become an important method in broadening the use of MOFs by offering deep insights into their structural, functional, and performance properties. This review specifically addresses the pivotal role of molecular simulations in enlarging the molecular understanding of MOFs and enhancing their applications, particularly for gas adsorption. After reviewing the historical development and implementation of molecular simulation methods in the field of MOFs, high‐throughput computational screening (HTCS) studies used to unlock the potential of MOFs in CO2 capture, CH4 storage, H2 storage, and water harvesting are visited and recent advancements in these adsorption applications are highlighted. The transformative impact of integrating artificial intelligence with HTCS on the prediction of MOFs’ performance and directing the experimental efforts on promising materials is addressed. An outlook on current opportunities and challenges in the field to accelerate the adsorption applications of MOFs is finally provided.
Beyond Structural Stabilization of Highly‐Textured AlN Thin Films: The Role of Chemical Effects
Authors: Pshyk Oleksandr V. , Patidar Jyotish , Alinezhadfar Mohammad , Zhuk Siarhei , Siol Sebastian
Published: July 2024

The crystalline quality and degree of c‐axis orientation of hexagonal AlN thin films correlate directly with their functional properties. Therefore, achieving AlN thin films of high crystalline quality and texture is of extraordinary importance for many applications, but particularly in electronic devices. This systematic study reveals, that the growth of c‐axis‐orientated AlN thin films can be governed by a chemical stabilization effect in addition to the conventionally known structural, strain‐induced, stabilization mechanism. The promotion of in‐plane growth of AlN grains with c‐axis out‐of‐plane orientation is demonstrated on Y, W, or Al seed layers with different thicknesses and crystallinity preliminary exposed to N2at room temperature. It is established that the stabilization mechanism is chemical in nature: the formation of an N‐rich surface layer on the metal seed layers upon exposure to N2pre‐determines the polarity of AlN islands at the initial stages of thin film growth while the low energy barrier for the subsequent coalescence of islands of the same polarity contributes to grain growth. These results suggest that the growth of c‐axis oriented AlN thin films can be optimized and controlled chemically, thus opening more pathways for energy‐efficient and controllable AlN thin film growth processes.
Multiscale Experiments and Predictive Modeling for Failure Mitigation in Additive Manufacturing of Lattices
Authors: Utzeri Mattia , Sasso Marco , Deshpande Vikram S. , Kumar Shanmugam
Published: July 2024

Additive Manufacturing (AM) empowers the creation of high‐performance cellular materials, underscoring the increasing need for programmable and predictable energy absorption capabilities. This study evaluates the impact of a precisely tuned fused filament fabrication (FFF) process on the energy absorption and failure characteristics of 2D‐thermoplastic lattice materials through multiscale experiments and predictive modeling. Macroscale in‐plane compression testing of both thick‐ and thin‐walled lattices, along with their µ‐CT imaging, reveal relative density‐dependent damage mechanisms and failure modes, prompting the development of a robust predictive modeling framework to capture process‐induced performance variation and damage. For lower relative density lattices, an FE model based on the extended Drucker–Prager material model, incorporating Bridgman's correction with crazing failure criteria, accurately captures the crushing response. As lattice density increases, interfacial damage along bead‐bead interfaces becomes predominant, necessitating the enrichment of the model with a microscale cohesive zone model to capture interfacial debonding. The predictive modeling introduces an enhancement factor, offering a straightforward method to assess the impact of the AM process on energy absorption performance, thereby facilitating the inverse design of FFF‐printed lattices. This approach provides a critical evaluation of how FFF processes can be optimized to achieve the highest attainable performance and mitigate failures in architected materials.
A Deep Analysis and Enhancing Photovoltaic Performance Above 31% with New Inorganic RbPbI3‐Based Perovskite Solar Cells via DFT and SCAPS‐1D
Authors: Rahman Md. Ferdous , Harun‐Or‐Rashid Md. , Islam Md. Rasidul , Irfan Ahmad , Chaudhry Aijaz Rasool , Rahman Md. Atikur , Al‐Qaisi Samah
Published: July 2024

The inimitable structural, electronic, and optical properties of inorganic cubic rubidium‐lead‐halide perovskite have obtained significant attention. In this research, novel rubidium‐lead‐iodide (RbPbI3)‐based perovskite solar cells incorporating Tin Sulfide (SnS2) is investigated as an efficient buffer layer, utilizing both Density Functional Theory (DFT) calculations and SCAPS‐1D simulator. Primarily, DFT is used to compute the bandgap, partial density of states (PDOS), and optical properties of the RbPbI3 absorber, which are then applied in the SCAPS‐1D simulator. An optimized Al/FTO/SnS2/RbPbI3/Au device is systematically studied. Additionally, the effect of various influencing factors are investigated such as layer bulk defect density, interface defect density, doping concentration, and thickness. The highest power conversion efficiency (PCE) of 31.11% is achieved for the SnS2 Electron Transport Layer (ETL), with a JSC of 32.47 mA cm−2, VOC of 1.10 V, and FF of 87.14% for the Al/FTO/SnS2/RbPbI3/Au structure. Characteristics of quantum efficiency (QE) are also analyzed. Therefore, SnS2 ETL demonstrates the robust potential for utilization in high‐performance photovoltaic cells based on RbPbI3 perovskite.
Construction and Performance Study of a Dual‐Network Hydrogel Dressing Mimicking Skin Pore Drainage for Photothermal Exudate Removal and On‐Demand Dissolution
Authors: Ma Xiaoxiao , Lin Lizhi , Luo Hang , Zheng Qianqian , Wang Hui , Li Xiaoyan , Wang Zhenfei , Feng Yongqiang , Chen Yu
Published: July 2024

In recent years, negative pressure wound dressings have garnered widespread attentions. However, it is challenging to drain the accumulated fluid under negative pressures for hydrogel dressings. To address this issue, this study prepared a chemical/physical duel‐network PEG‐CMCS/AG/MXene hydrogel composed by chemical disulfide crosslinked network of four‐arm polyethylene glycol/carboxymethyl chitosan (4‐Arm‐PEG‐SH/CMCS), and the physical network of hydrogen bond of agar (AG). Under near‐infrared light (NIR) irradiation, the PEG‐CMCS/AG/MXene hydrogel undergoes photothermal heating due to integrate of MXene, which destructs the hydrogen bond network and allows the removal of exudate through a mechanism mimicking the sweat gland‐like effect of skin pores. The photothermal heating effect also enables the antimicrobial activity to prevent wound infections. The excellent electrical conductivity of PEG‐CMCS/AG/MXene can promote cell proliferation under the external electrical stimulation (ES) in vitro. The animal experiments of full‐thickness skin defect model further demonstrate its ability to accelerate wound healing. The conversion between thioester and thiol achieved with L‐cysteine methyl ester hydrochloride (L‐CME) can provides the on‐demand dissolution of the dressing in situ. This study holds promises to provide a novel solution to the issue of fluid accumulations under hydrogel dressings and offers new approaches to alleviating or avoiding the significant secondary injuries caused by frequent dressing changes.
Potassium Metal Underpotential Deposition in Crystalline Carbon of Potassium‐Ion Batteries
Authors: Ji Tianyi , Liu Xiaoxu , Zhang Tengsheng , Shi Yunli , Sheng Dawei , Yin Hangtian , Shen Ze Xiang , Chao Dongliang
Published: July 2024

Carbon materials, owing to their low cost, high conductivity, and good thermal and chemical stability, have been deemed as a promising anode candidate for potassium‐ion batteries. However, anomalous low‐voltage discharge situations in crystalline carbon materials imply uncertainty in the potassium storage mechanism. Herein, an overlooked scenario, i.e., potassium metal underpotential deposition (PMUPD), is disclosed in crystalline carbon materials for the first time. The study unveils the induction of interlayer pores on desolvation and PMUPD by insights from thermodynamics, kinetics, and experimental analyses. By manipulating the cutoff voltage to utilize partial PMUPD, a novel synergistic mechanism of co‐intercalation and PMUPD is revealed. A remarkable initial coulombic efficiency of 92% and a 65% capacity retention at 30C (80 mAh g−1) are realized in crystalline carbon anode. This work provides a new insight into the potassium storage mechanism of carbon anode and contributes to further research and application of the UPD behavior in other alkaline metal ion batteries.
Judicious Fluorination of Perovskite Quantum Wells Enables Over 25% Efficiency in Inverted Solar Cells
Authors: Liang Xiao , Zhou Xianfang , Wang Fei , Chen Hu , Duan Dawei , Zhou Kang , Ge Chuangye , Xiang Jin , Zhu Jiajie , Wang Di , Zhu Quanyao , Lin Haoran , Lin Chun‐Ho , Shi Yumeng , Xing Guozhong , Hu Hanlin , Wu Tom
Published: July 2024

The photovoltaic performance of inverted perovskite solar cells (PSCs) is often hindered by trap‐induced non‐radiative recombination and photochemical degradation occurring at the upper interfaces and the grain boundaries of perovskite films. Herein, ortho‐, meta‐, and para‐isomers of fluorophenylethylammonium iodine (F‐PEAI) organic spacer molecules are evaluated for the construction of perovskite quantum wells (2D or quasi‐2D, PQWs) to encapsulate 3D perovskites. Among the three variants, p‐F‐PEAI leads to the most symmetric charge distribution and the weakest steric hindrance which resulting in reinforced interactions with PbI2 and perovskite, the enhanced out‐of‐plane orientation is confirmed by Grazing incidence wide‐angle X‐ray scattering (GIWAXS) results. Density functional theory and crystal orbital Hamilton population (COHP) calculations further confirm that p‐F‐PEAI engages most strongly with the perovskite structure. Moreover, transmission electron microscopy (TEM) characterization is used to illustrate that p‐F‐PEAI‐assisted 2D PQWs effectively passivate both the grain boundaries and surfaces of perovskites. This configuration facilitates effective surface passivation, improves charge carrier transport, and significantly suppresses non‐radiative recombination. The resultant inverted PSCs achieve an excellent power conversion efficiency (PCE) of 25.03% with a fill factor (FF) of 85.11%. The unencapsulated devices exhibit enhanced long‐term stability under ambient environments and continuous light illumination.
Improved Entanglement‐Based High‐Dimensional Optical Quantum Computation with Linear Optics
Authors: Gao Huan‐Chao , Song Guo‐Zhu , Wei Hai‐Rui
Published: July 2024

Quantum gates are the essential block for quantum computers. High‐dimensional quantum gates exhibit remarkable advantages over their 2D counterparts for some quantum information processing tasks. Here, a family of entanglement‐based optical controlled‐SWAP gates on is presented. With the hybrid encoding, the control qubits and target qudits are encoded in photonic polarization and spatial degrees of freedom, respectively. The circuit is constructed using only () linear optics, beating an earlier result of 14 linear optics with . The circuit depth five is much lower than an earlier result of 11 with . Besides, the fidelity of the presented circuit can reach 99.4%, and it is higher than the previous counterpart with . The scheme is constructed in a deterministic way without any borrowed ancillary photons or measurement‐induced nonlinearities. Moreover, the approach allows .
Design, synthesis, structural inspection, and DFT calculation of some novel imine ciprofloxacin metal chelates: A novel approach for pharmaceutical applications and DNA interaction
Authors: Abu‐Dief Ahmed M. , Al‐hawamy Yasser , Abdou Aly , Alsehli Amal H. , Altayeb Bader M. , Alqurashi Abdulmajeed , Mohamed Gehad G.
Published: July 2024

Novel compounds with pharmacological activity were synthesized from Pd (II), Fe (III), Cr (III), Ni (II), and Cu (II) ions with 4‐{2‐(3‐carboxy‐1‐cyclopropyl‐6‐fluoro‐7‐piperazin‐1‐yl‐2,3‐dihydro‐1H‐quinolin‐4‐ylideneamino)‐phenylimino}‐1‐cyclopropyl‐6‐fluoro‐7‐piperazin‐1‐yl‐1,4‐dihydro‐quinoline‐3‐carboxylic acid (CFPD). The newly synthesized compounds have been investigated by 1H‐ and 13C‐NMR spectra, Fourier transform infrared spectra, CHN analyses, ultraviolet‐visible spectra, mass spectra, molar conductivity, and magnetic moment measurements. In addition, the pH profile of the CFPD complexes showed remarkable stability, and their stability constant was identified in solution. To find out essential characteristics for CFPD and its complexes and to investigate the molecular geometry, computational analysis occurred. Through its nitrogen and OH of carboxylate groups, the ligand interacted with the metal ions to form CFPDPd complex with a square planar geometry and CFPDCu, CFPDCr, CFPDNi, and CFPDFe complexes with octahedral geometry. The M:L ratio of 1:1 was demonstrated by the molar ratio and sequence variation techniques’ outcomes. The effect of the investigated CFPD imine ligand on bacterial community and its metal chelate was examined within vitro using a range of fungal and viral pathogens The findings showed that the effectiveness of antimicrobial went with the directive: CFPDPd complex when compared to the highly suppressor complex, fluconazol and ofloxacin as model medication. The novel ligand’s and its complexes’ in vitro cytotoxic potential against the Hep‐G2, MCF‐7, and HCT‐116 cell lines was also studied. The findings once more indicated that, when compared to vinblastine medication, the CFPDPd chelate is the most active agent. In addition, the complexes showed high reactivity in catching free radicals when their antioxidant activity was examined. By the application of viscosity, spectrum analysis, and gel electrophoreses, the interaction among metal chelates and DNA was determined. Studies on viscosity and spectrophotometric titration showed that every substance in test is a strong DNA binder. Increased hydrophobic and electrostatic interactions between aromatic rings could be the cause of this. In conclusion, these complexes have the potential to be effective bioactive agents.
Synthesis, structural, biological applications, DFT, molecular docking studies on Fe(III), Co(II), and Ni(II) complexes incorporating 2‐(pyridin‐2‐yl)phenol and 1H‐benzimidazole‐2‐carboxylic acid
Authors: Khalaf Mai M. , Abd El‐Lateef Hany M. , Abdou Aly
Published: August 2024

This study provides a detailed investigation into the synthesis, characterization, and biological activities of the coordination compounds FePPHBZC, CoPPHBZC, and NiPPHBZC. These compounds were synthesized with high yields by reacting chloride salts of Iron, Cobalt, or Nickel with 2‐(pyridin‐2‐yl)phenol (PPH) and 1H‐benzimidazole‐2‐carboxylic acid (BZC) in a 1:1:1 ratio. Various techniques including spectroscopic (IR, UV–vis, mass spectra), elemental analysis, conductivity, magnetic, and thermal analyses confirmed the formation and structure of these coordination compounds. Density functional theory (DFT) calculations were used to study their electronic structure, stability, and reactivity. 3D modeling revealed hexacoordinated geometries for Fe and Co complexes and a tetrahedral coordination for the Ni complex. Analysis of the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), and other reactivity parameters indicated changes in reactivity upon metal coordination. Molecular Electrostatic Potential (MEP) diagrams identified electron‐rich areas prone to nucleophilic attack, important for protein interactions during docking studies. Biological evaluations demonstrated that metal–ligand complexes exhibit enhanced antimicrobial, antioxidant, and anti‐inflammatory activities compared to individual ligands, with larger inhibition zones and higher inhibitory activity. Molecular docking studies showed strong interactions between metal–ligand complexes and target proteins, suggesting potential therapeutic applications. Among them, FePPHBZC exhibited the strongest interactions, followed by CoPPHBZC and NiPPHBZC, characterized by hydrogen bonding, ionic interactions, and other non‐covalent interactions, contributing to their enhanced stability and binding affinity.
Fabrication of rGO‐Bridged TiO2/g‐C3N4 Z‐Scheme Nanocomposites via Pulsed Laser Ablation for Efficient Photocatalytic CO2 Reduction
Authors: Olatunji Waidi Yusuf , Alkanad Khaled , Abdullah Bajiri Mohammed , Qahtan Talal F. , Al‐Aswad A. H. , Baroud Turki N. , Onaizi Sagheer A , Drmosh Q. A.
Published: August 2024

Highly efficient photocatalysts can be fabricated using favorable charge transfer nanocomposite channel structures. This study adopted pulsed laser ablation in liquid (PLAL) to obtain rGO‐bridged TiO2/g‐C3N4 (rGO−TiO2/g‐C3N4) photocatalytic Z‐scheme without the need for noble metals. In addition to evaluating the resulting nanocomposite (comprising rGO nanosheets, TiO2 nanotubes, and g‐C3N4 nanosheets) CO2 reduction effectiveness, its chemical, morphological, structural, and optical characteristics were examined using various analytical techniques. The findings revealed a synergistic interaction between g‐C3N4 and TiO2, suggesting the presence of unique interfacial bonding, as well as enhanced visible light absorption. Notably, the ternary rGO−TiO2/g‐C3N4 Z‐scheme exhibits an excellent photocatalytic performance by photocatalytically converting CO2 into CO and CH4, with 81 % selectivity towards the CO and 1.91 % apparent quantum efficiency at 420 nm. Thus, the findings can pave the way for various Z‐scheme systems in wide photocatalytic applications.
Do strong innovation capability and environmental turbulence influence the nexus between CRM and business performance?
Authors: Qalati Sikandar Ali , Jiang MengMeng , Gyedu Samuel , Manu Emmanuel Kwaku
Published: August 2024

This research has dealt with the gaps in the previous literature and the preponderant problems in the Ghana telecom industry. The main objective is to explore the roles of innovation capability and environmental turbulence on the relationship between customer relationship management and business performance in the Ghana telecommunication industry. Hierarchical linear regression and structural equation models through STATA and AMOS statistical software were employed to analyze the obtained data from a structured questionnaire. These models were used based on the type of analyses employed in our study and since they are robust in determining and validating the proposed causal relationships among variables. To summarize the findings, (1) the study found that customer relationship management constructs have a positive impact on innovation capability and business performance. (2) We discovered that innovation capability constructs have a positive effect on business performance. (3) Innovation capability mediates the relationship between customer relationship management and business performance. (4) Environmental turbulence moderates the relationship between customer relationship management and business performance. These findings contribute immensely to managerial and practical implications by entreating managers to intensify their commitment to CRM and innovation activities such as sharing indispensable information, involving customers, solving problems jointly, building long‐term relationships, and using modern technologies in building powerful partnerships with customers to meet their needs in order to accelerate performance.
Let leaders permit nature! Role of employee engagement, environmental values, and sustainable behavioral intentions
Authors: Ahsan Muhammad Junaid , Ishaq Muhammad Ishtiaq , Raza Ali , Talpur Qurat‐ul‐ain
Published: August 2024

The current study examines the relationship between authentic leadership and sustainable behavior intention among employees. We also tested employee engagement as a mediator and environmental value as a boundary condition in Danish manufacturing firms. The data from 346 respondents were obtained using time‐lagged and multi‐respondent techniques, and the data were analyzed using structural equation modeling. The results revealed that authentic leadership directly impacts sustainable behavior intentions whereas cognitive and behavioral employee engagement mediates the relationship between authentic leadership and sustainable behavioral intentions. Additionally, environmental values strengthen the positive relationship between employee engagement's cognitive and behavioral dimensions and sustainable behavioral intentions. This study advances the social exchange theory by empirically testing the beneficial effects of authentic leadership and employee engagement on the intention to engage in sustainable behavior. We also propose that practitioners emphasize authentic leadership as it can foster employees' environmental values and sustainable behavior intentions that are helpful for the organization's and society's sustainability.
Anxiolytic and Anticonvulsant Effects of Fisetin Isolated from Bauhinia pentandra on Adult Zebrafish (Danio rerio)
Authors: da Silva Horlando Carlota , das Chagas Lima Pinto Francisco , Silva Marinho Emmanuel , Alencar de Menezes Jane Eire Silva , Kueirislene Amâncio Ferreira Maria , da Silva Antonio Wlisses , Machado Marinho Emanuelle , Marinho Márcia Machado , Pessoa Bezerra de Menezes Ramon Róseo Paula , Washington Cavalcante John , Silva dos Santos Hélcio , Pessoa Otília Deusdênia Loiola , Santiago Gilvandete Maria Pinheiro
Published: August 2024

Anxiety and epilepsy are common worldwide and represent a primary global health concern. Fisetin, a flavonoid isolated from Bauhinia pentandra, has a wide range of biological activities may be a promising alternative to combat diseases related to the central nervous system (CNS). The present study aimed to investigate the anxiolytic and anticonvulsant effects of fisetin on adult zebrafish. Furthermore, molecular docking simulations were performed to improve the results. Fisetin did not present toxicity and caused anxiolytic behavior and delayed seizures in animals. This effect may occur through serotonin neurotransmission at 5‐HT3A and/or 5‐HT3B receptors. Molecular docking simulations showed that fisetin interacts with the orthosteric site of the 5‐HT3A receptor with strong H‐bond interactions with the Trp156 residue, with a strong contribution from the catechol ring, a behavior similar to that of the antagonist co‐crystallized inhibitor granisetron (CWB). Fisetin may be a promising alternative to combat diseases related to the central nervous system.
Photoprotective Potential of Passiflora Cincinnata Mast. (Passifloraceae) Hydro‐Alcoholic Extracts
Authors: de Oliveira Júnior Raimundo Gonçalves , Reis Silvio Alan Gonçalves Bonfim , de Oliveira Ana Paula , Ferraz Christiane Adrielly Alves , Rolim Larissa Araújo , Lopes Norberto Peporine , Rocha Joao Miguel , El Aouad Noureddine , Kritsanida Marina , Almeida Jackson Roberto Guedes da Silva
Published: August 2024

Passiflora cincinnata is a Passifloraceae typical of the Caatinga, a biome unique to Brazil. It has various pharmacological properties associated with its high flavonoid content. Vitexin, isovitexin, orientin, isoorientin and derivatives are the main chemical and pharmacological markers for this plant. Although flavonoids enriched‐extracts have been widely applied in phytocosmetics, especially in sunscreen formulations, the use of P. cincinnata as a photoprotective ingredient remains unexplored. Different hydro‐alcoholic extracts were prepared and their antioxidant and photoprotective activities were evaluated by in vitro assays. The most promising extract (Pc‐1) was analyzed by HPLC‐DAD‐ESI‐MS/MS. Nine flavonoids were identified as major compounds: isovitexin‐7‐O‐glucoside, isoorientin‐2”O‐hexoside, orientin, isoorientin, isovitexin‐2”‐O‐glucoside, isovitexin‐6”‐O‐glucoside, isoscoparin and isoquercitrin. Finally, Pc‐1 (5 and 10 %, v/v) was incorporated into gel formulations, alone or combined to commercial chemical filters (benzophenone‐3 and octyl methoxycinnamate). Formulations containing Pc‐1 showed high SPFspectrophotometric values. When combined to commercial filters, Pc‐1 (5 %) potentiated their photoprotective efficacy (p<0.05). A physicochemical characterization indicated no incompatibility or signs of instability after extract incorporation. Altogether, these findings encourage the use of Pc‐1 as a photoprotective ingredient or co‐adjuvant in sunscreens formulations.
Specialized Metabolites from the Husks of Rice Oryza Sativa L. and their Biological Activities
Authors: Zhang Xue‐ying , Ge Cheng , Zhang Ai‐ju , Wu Si‐xuan , Yang Min , Huang Lei , Li Jian Lin
Published: August 2024

Rice (Oryza sativa L.) husk harbors a substantial proportion of biological metabolites, as one of the most plentiful agriculture by‐products in rice milling process, rice husk remains poorly utilized. As a continuing search for potential bioactive molecules from the husk of rice, a totally of twelve components (1–12), including six sterol ferulates (1–6), one flavonoid (7), one dipeptide (8), and four phenylpropanoid derivatives (9–12) were obtained. All the chemical structures were elucidated based on comprehensive spectroscopic data. Wherein, compounds 1 and 2 were yield as previous undescribed metabolites, and the comprehensive NMR data for compounds 3 and 4 were first presented in its entirety. Motivated by the similarity of the structural motifs of components 1–6 to that of reported sterol ferulates, the antioxidant and anti‐inflammatory effects for compounds 1–6 were evaluated in vitro. Among them, compounds 5/6 had a significant antioxidant activity compare to that of vitamin E in both DPPH and reducing power assay up to the concentration 40 μg/ml; while compounds 1 and 2 exhibited weak suppressive effect on the production of nitric oxide, with the IC50 values of 53.27±1.37 μM.
Maxillary impacted canine replacing a central incisor with root resorption: Multidisciplinary treatment in a preadolescent patient
Authors: Wen Li‐Ming , Song Yang‐Yang , Liu Ji‐Nan , Zhu Ye , Huang Xiao‐Feng
Published: August 2024

Key Clinical Message

Maxillary canines are often impacted, which can result in tooth disorders and adversely affect occlusal and facial development. The case report describes complete bilateral impaction of maxillary canines and significant root resorption of a central incisor. The multidisciplinary approach is the optimal strategy for addressing impacted maxillary canines.
Role of primary care in opioid prescribing for older head and neck cancer survivors
Authors: Salz Talya , Meza Akriti Mishra , Bradshaw Patrick T. , Jinna Sankeerth , Moryl Natalie , Kriplani Anuja , R. Tringale Kathryn , Flory James , Korenstein Deborah , Lipitz‐Snyderman Allison
Published: July 2024

Background

Older head and neck cancer (HNC) survivors have concerning rates of potentially unsafe opioid prescribing. Identifying the specialties of opioid prescribers for HNC survivors is critical for targeting the settings for opioid safety interventions. This study hypothesized that oncology and surgery providers are primarily responsible for opioid prescriptions in the year after treatment but that primary care providers (PCPs) are increasingly involved in prescribing over time.

Methods

Using linked Surveillance, Epidemiology, and End Results–Medicare data, a retrospective analysis was conducted of adults aged >65 years diagnosed between 2014 and 2017 with stage I–III HNC and who had ≥6 months of treatment‐free follow‐up through 2019. Starting at treatment completion, opioid fills were assigned to a prescriber specialty: oncology, surgery, primary care, pain management, or other. Prescriber patterns were summarized for each year of follow‐up. Multinomial logistic regression models captured the likelihood of opioids being prescribed by each specialty.

Results

Among 5135 HNC survivors, 2547 (50%) had ≥1 opioid fill (median, 2.1‐year follow‐up). PCPs prescribed 47% of all fills (42%–55% each year). PCPs prescribed opioids to 45% of survivors with ≥1 opioid fill, which was a greater share than other specialties. PCPs prescribed longer supplies of opioids (median, 20 days/fill; median, 30 days/year) than oncologists or surgeons. The likelihood of an opioid being prescribed by an oncology provider was four times lower than that of it being prescribed by a PCP.

Conclusions

PCP involvement in opioid prescribing remains high throughout HNC survivorship. Interventions to improve the safety of opioid prescribing should target primary care, as is typical for opioid reduction efforts in the noncancer population.
Bacterial surface derived extracellular vesicles: A ground‐breaking approach in cancer therapy
Authors: Das Asmit , Sonar Swarup , Kalele Ketki , Subramaniyan Vetriselvan
Published: July 2024

Conventional cancer therapies are often limited by inherent and acquired drug resistance, non‐specific toxicity, and suboptimal drug delivery. Bacterial extracellular vesicles (BEVs), including outer membrane vesicles and membrane vesicles, present a novel therapeutic strategy for cancer treatment. BEVs were found in both Gram‐negative and Gram‐positive bacteria. This article provides a classified investigation of the therapeutic potential of BEVs in cancer treatment. We discuss the molecular mechanisms underlying their observed anti‐tumor effects, including the induction of apoptosis in cancer cells, suppression of angiogenesis within the tumor microenvironment, and stimulation of both innate and adaptive anti‐tumor immune responses. Moreover, BEVs being biocompatible opens avenue for targeted drug delivery systems, potentially improving the therapeutic index of conventional chemotherapeutics. Challenges to clinical translation, such as BEV heterogeneity and potential immunogenicity, are addressed. We also explore future directions for research and development, comprehensively highlighting how BEVs transform the landscape of precision oncology and cancer treatment, eventually improving patient outcomes.
High‐fidelity CRISPR/Cas12a dual‐crRNA screening reveals novel synergistic interactions in hepatocellular carcinoma
Authors: Chen Qian , Pang Minhui , Chen Peng , Zhou Zihao , Lei Jun , He Boxiao , Sun Zaiqiao , Paek Chonil , Jing Baowei , Wu Yankang , Liu Shiqi , Chen Yongshun , Yin Lei
Published: July 2024

CRISPR/Cas12a‐based combinational screening has shown remarkable potential for identifying genetic interactions. Here, we describe an innovative method for combinational genetic screening with rapid construction of a dual‐CRISPR RNA (crRNA) library using gene splicing through overlap extension PCR (SOE PCR) and the adoption of CeCas12a, which we previously identified with strict PAM recognition and low off‐targeting to guarantee fidelity and efficiency. The custom‐pooled SOE crRNA array (SOCA) library for double‐knockout screening could be conveniently constructed in the laboratory for widespread use, and the CeCas12a‐mediated high‐fidelity screen displayed good performance even under a negative selection screen. By designing a SOCA dual‐crRNA library that covered most of the kinase and metabolism‐associated gene targets of FDA‐approved drugs implicated in hepatocellular carcinoma (HCC) tumourigenesis, novel cross‐talk between the two gene sets was negatively selected to inhibit HCC cell growth in vitro and in vivo and was validated using virtual double‐knockdown screening based on TCGA databases. Thus, this rapid, efficient and high‐fidelity double‐knockout screening system is promising for systemically identifying potential genetic interactions between multiple gene sets or combinations of FDA‐ approved drugs for clinical translational medicine in the future.
A comprehensive overview of the molecular features and therapeutic targets in BRAFV600E‐mutant colorectal cancer
Authors: Gu Ruiqi , Fang Hongsheng , Wang Renjie , Dai Weixing , Cai Guoxiang
Published: July 2024

As one of the most prevalent digestive system tumours, colorectal cancer (CRC) poses a significant threat to global human health. With the emergence of immunotherapy and target therapy, the prognosis for the majority of CRC patients has notably improved. However, the subset of patients with BRAF exon 15 p.V600E mutation (BRAFV600E) has not experienced remarkable benefits from these therapeutic advancements. Hence, researchers have undertaken foundational investigations into the molecular pathology of this specific subtype and clinical effectiveness of diverse therapeutic drug combinations. This review comprehensively summarised the distinctive molecular features and recent clinical research advancements in BRAF‐mutant CRC. To explore potential therapeutic targets, this article conducted a systematic review of ongoing clinical trials involving patients with BRAFV600E‐mutant CRC.
Endotypes of severe neutrophilic and eosinophilic asthma from multi‐omics integration of U‐BIOPRED sputum samples
Authors: Kermani Nazanin Zounemat , Li Chuan‐Xing , Versi Ali , Badi Yusef , Sun Kai , Abdel‐Aziz Mahmoud I , Bonatti Martina , Maitland‐van der Zee Anke‐Hilse , Djukanovic Ratko , Wheelock Åsa , Dahlen Sven‐Erik , Howarth Peter , Guo Yike , Chung Kian Fan , Adcock Ian M. ,   U‐BIOPRED Project Team
Published: July 2024

Background

Clustering approaches using single omics platforms are increasingly used to characterise molecular phenotypes of eosinophilic and neutrophilic asthma. Effective integration of multi‐omics platforms should lead towards greater refinement of asthma endotypes across molecular dimensions and indicate key targets for intervention or biomarker development.

Objectives

To determine whether multi‐omics integration of sputum leads to improved granularity of the molecular classification of severe asthma.

Methods

We analyzed six ‐omics data blocks–microarray transcriptomics, gene set variation analysis of microarray transcriptomics, SomaSCAN proteomics assay, shotgun proteomics, 16S microbiome sequencing, and shotgun metagenomic sequencing–from induced sputum samples of 57 severe asthma patients, 15 mild‐moderate asthma patients, and 13 healthy volunteers in the U‐BIOPRED European cohort. We used Monti consensus clustering algorithm for aggregation of clustering results and Similarity Network Fusion to integrate the 6 multi‐omics datasets of the 72 asthmatics.

Results

Five stable omics‐associated clusters were identified (OACs). OAC1 had the best lung function with the least number of severe asthmatics with sputum paucigranulocytic inflammation. OAC5 also had fewer severe asthma patients but the highest incidence of atopy and allergic rhinitis, with paucigranulocytic inflammation. OAC3 comprised only severe asthmatics with the highest sputum eosinophilia. OAC2 had the highest sputum neutrophilia followed by OAC4 with both clusters consisting of mostly severe asthma but with more ex/current smokers in OAC4. Compared to OAC4, there was higher incidence of nasal polyps, allergic rhinitis, and eczema in OAC2. OAC2 had microbial dysbiosis with abundant Moraxella catarrhalis and Haemophilus influenzae. OAC4 was associated with pathways linked to IL‐22 cytokine activation, with the prediction of therapeutic response to anti‐IL22 antibody therapy.

Conclusion

Multi‐omics analysis of sputum in asthma has defined with greater granularity the asthma endotypes linked to neutrophilic and eosinophilic inflammation. Modelling diverse types of high‐dimensional interactions will contribute to a more comprehensive understanding of complex endotypes.

Key Points

Unsupervised clustering on sputum multi‐omics of asthma subjects identified 3 out of 5 clusters with predominantly severe asthma.

One severe asthma cluster was linked to type 2 inflammation and sputum eosinophilia while the other 2 clusters to sputum neutrophilia.

One severe neutrophilic asthma cluster was linked to Moraxella catarrhalis and to a lesser extent Haemophilus influenzae while the second cluster to activation of IL‐22.