bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dual Modulation of Bulk Electronic Structure and Surficial Active Sites in Sea Urchin‐Like MoO2 Nanoreactors Promoting Electrocatalytic Hydrogen Evolution
Authors: Wang Ling , Zhang Chunyan , Cao Zhuwei , Zeng Guang , Liu Jian , Ye Sheng 
Published: August 2024

AbstractElectrocatalytic hydrogen evolution reaction (HER) is a promising strategy for realizing carbon neutralization as well as for the production of green hydrogen. Molybdenum dioxide (MoO2), possesses acid corrosion resistance and near‐metal‐level conductivity, endowing its widespread application in acidic HER. However, due to spatial barriers at the edge of sites and weak H* adsorption, the HER activity of MoO2 is greatly limited. Herein, a sea urchin‐like Pt@N‐MoO2 nanoreactor is designed, in which the bulk electronic structure and surface‐active sites are modulated by N doping and Pt single atoms anchoring, respectively. DFT calculations indicate that Mo─N coupling changes the charge density of Mo atoms, enhances the adsorption of H*, and thus optimizes the Gibbs free energy. The appearance of Pt‐O/N sites compensates for the lack of active sites exposed by MoO2, while promoting the desorption of H2 from the catalyst surface and accelerating the HER process. This work provides an effective strategy for activating inert electrocatalysts to promote energy conversion via a dual modulation strategy of bulk and surface engineering.
Targeted Cancer Therapy‐on‐A‐Chip
Authors: Abed Heba , Radha Remya , Anjum Shabana , Paul Vinod , AlSawaftah Nour , Pitt William G. , Ashammakhi Nureddin , Husseini Ghaleb A. 
Published: August 2024

AbstractTargeted cancer therapy (TCT) is gaining increased interest because it reduces the risks of adverse side effects by specifically treating tumor cells. TCT testing has traditionally been performed using two‐dimensional (2D) cell culture and animal studies. Organ‐on‐a‐chip (OoC) platforms have been developed to recapitulate cancer in vitro, as cancer‐on‐a‐chip (CoC), and used for chemotherapeutics development and testing. This review explores the use of CoCs to both develop and test TCTs, with a focus on three main aspects, the use of CoCs to identify target biomarkers for TCT development, the use of CoCs to test free, un‐encapsulated TCTs, and the use of CoCs to test encapsulated TCTs. Despite current challenges such as system scaling, and testing externally triggered TCTs, TCToC shows a promising future to serve as a supportive, pre‐clinical platform to expedite TCT development and bench‐to‐bedside translation.
Phosphorus Dendrimers Co‐deliver Fibronectin and Edaravone for Combined Ischemic Stroke Treatment via Cooperative Modulation of Microglia/Neurons and Vascular Regeneration
Authors: Ma Jie , Zhan Mengsi , Sun Huxiao , He Liangyu , Zou Yu , Huang Tianyu , Karpus Andrii , Majoral Jean‐Pierre , Mignani Serge , Shen Mingwu , Shi Xiangyang 
Published: August 2024

AbstractThe development of new multi‐target combination treatment strategies to tackle ischemic stroke (IS) remains to be challenging. Herein, a proof‐of‐concept demonstration of an advanced nanomedicine formulation composed of macrophage membrane (MM)‐camouflaged phosphorous dendrimer (termed as AK137)/fibronectin (FN) nanocomplexes (NCs) loaded with antioxidant edaravone (EDV) to modulate both microglia and neurons for effective IS therapy is showcased. The created MM@AK137‐FN/EDV (M@A–F/E) NCs with a mean size of 260 nm possess good colloidal stability, sustained EDV release kinetics, and desired cytocompatibility. By virtue of MM decoration, the M@A–F/E NCs can cross blood–brain barrier, act on microglia to exert the anti‐inflammatory (AK137 and FN) and antioxidative (FN and EDV) effects in vitro for oxidative stress alleviation, microglia M2 polarization, and reduction of pro‐inflammatory cytokine secretion, and act on neuron cells to be anti‐apoptotic. In a transient middle cerebral artery occlusion rat model, the developed M@A–F/E NCs can exert enhanced antioxidant/anti‐inflammatory/anti‐apoptotic therapeutic effects to comprehensively regulate the brain microenvironment and promote vascular regeneration to collaboratively restore the blood flow after ischemia‐reperfusion. The designed MM‐coated NCs composed of all‐active ingredients of phosphorous dendrimers, FN, and EDV that can fully regulate the brain inflammatory microenvironment may expand their application scope in other neurodegenerative diseases.
Hibernating/Awakening Nanomotors Promote Highly Efficient Cryopreservation by Limiting Ice Crystals
Authors: Gao Rui , Wang Weixin , Wang Zhongchao , Fan Yapeng , Zhang Lin , Sun Jiahui , Hong Miaofang , Pan Min , Wu Jianming , Mei Qibing , Wang Yini , Qiao Lingyan , Liu Jin , Tong Fei 
Published: August 2024

AbstractThe disruptions caused by ice crystal formation during the cryopreservation of cells and tissues can cause cell and tissue damage. Thus, preventing such damage during cryopreservation is an important but challenging goal. Here, a hibernating/awakening nanomotor with magnesium/palladium covering one side of a silica platform (Mg@Pd@SiO2) is proposed. This nanomotor is used in the cultivation of live NCM460 cells to demonstrate a new method to actively limit ice crystal formation and enable highly efficient cryopreservation. Cooling Mg@Pd@SiO2 in solution releases Mg2+/H2 and promotes the adsorption of H2 at multiple Pd binding sites on the cell surface to inhibit ice crystal formation and cell/tissue damage; additionally, the Pd adsorbs and stores H2 to form a hibernating nanomotor. During laser‐mediated heating, the hibernating nanomotor is activated (awakened) and releases H2, which further suppresses recrystallization and decreases cell/tissue damage. These hibernating/awakening nanomotors have great potential for promoting highly efficient cryopreservation by inhibiting ice crystal formation.
Large Mid‐Infrared Magneto‐Optic Response from Doped Cadmium Oxide at Its Epsilon‐Near‐Zero Frequency
Authors: Schrecengost Jonathon R. , Cleri Angela J. , Tolchin Maxwell J. , Mohan Ramya , Murphy John P. , Adamkovic Sara , Grede Alex J. , Imperatore Mario V. , Hopkins Patrick E. , Maria Jon‐Paul , Giebink Noel C. 
Published: August 2024

AbstractThe epsilon‐near‐zero (ENZ) frequency regime of transparent conducting oxide materials is known to yield large enhancements in their optical nonlinearity and electro‐optic response. Here, Faraday rotation is investigated in Gd and In‐doped CdO films and it is found that the Verdet constant peaks at values >3 105 deg T−1 m−1 near the ENZ frequency, which is tunable in the wavelength range 2 < λ< 10 µm by varying the doping concentration. These results are among the highest reported to date in the mid‐infrared spectral range and are in good agreement with the Drude model, which confirms that the magneto‐optic response of doped CdO derives from its free carriers. The combination of a tunable Verdet constant, low optical loss compared to other plasmonic materials, and the ability to deposit CdO on Si with no loss in performance make this material a promising platform for integrated magneto‐optic and magnetoplasmonic devices that operate across the mid‐infrared.
Magnetic Circularly Polarized Luminescence with Heterometallic Molecular Cluster‐Aggregates
Authors: Gálico Diogo A. , Murugesu Muralee 
Published: August 2024

AbstractMagnetic circularly polarized luminescence (MCPL) is a technique based on the differential emission of left and right circularly polarized light induced by a magnetic field. This technique is the emission counterpart of to the widely explored magnetic circular dichroism. In this work, the first demonstration of MCPL is presented in heterometallic lanthanide(III) systems by using two molecular cluster aggregates, {Eu1Tb19} and {Eu3Tb17}. The results presented here indicate the potential that MCPL holds for obtaining highly tuned magneto‐optical materials for various applications, such as anti‐counterfeiting materials. Additionally, the findings suggest that magnetic interactions between the ions modulate the dissymmetry factor, opening the possibility of the development of highly tunable MCPL materials.
Exploring Aptamer‐Based Metasurfaces for Label‐Free Plasmonic Biosensing of Breast Tumor‐Derived Exosomes
Authors: Hu Rongsheng , Lin Shaowei , Li Fajun , Shen Jiaqing , Xie Yinong , Deng Baichang , Zhang Youyu , Dong Zhaogang , Zhu Jinfeng 
Published: August 2024

AbstractExosomes are critical tumor biomarkers, which can be detected by label‐free sensing of plasmonic metasurfaces with expensive antibody functionalization. Due to their low cost and small size, aptamers should be promising to replace antibodies in plasmonic metasensing of exosomes. However, research on aptamer‐based plasmonic metasensing of exosomes is still unexplored. Here, the optical near‐field sensing mechanism of aptamer‐based plasmonic metasurface (APM) is investigated. Based on the study of the evanescent field of APM, using thiol‐modified aptamer boosts the utilization rate of resonance wavelength shift from 27.5% to 83.3% compared to biotinylated aptamers, attributed to a significant reduction in the near‐field occupation of the biofunction layer. Moreover, APM biosensors effectively detect clinical serum exosomes for breast cancer (BC) diagnosis and classification. The receiver operating characteristic analysis shows an area under the curve of 99.3% for APM diagnosis, surpassing the 79.1% for hematological tests of the conventional BC biomarker CA153. The results also indicate that APM biosensors can be a noninvasive tool for molecular classification of BC with great distinguishment of P < 0.0001. The research demonstrates that APM biosensors are enabling a reliable and convenient platform to facilitate clinical hematological tests of exosomes for auxiliary diagnosis of cancer.
Theoretical and Molecular Dynamics Simulation Approaches to Praseodymium Content Effect on Radiation Shielding and Time Dependent Volume‐Collapse for a Newly Produced Borate Glass
Authors: Aygün Murat , Aygün Zeynep , Celik Fatih Ahmet , Karabulut Ezman , Yilmaz Mücahit 
Published: August 2024

AbstractGamma‐ray, fast neutron and charged particle shielding characteristics of Praseodymium (Pr3+) activated glasses with composition 10ZnF2‐(10‐x)SrO‐15Li2O‐65H3BO3‐xPr2O3(where x = 0.1, 0.5, 1.0, 1.5, and 2.0) are investigated. For this, the radiation shielding parameters are estimated by using Photon Shielding and Dosimetry (Phy‐X/PSD), Interaction of Proton, Alpha, Gamma rays, Electrons, and X‐rays with matter (PAGEX), Stopping Powers and Ranges for Electrons (ESTAR), and The Stopping and Range of Ions in Matter (SRIM) codes. Furthermore, the results are compared comprehensively and comparatively. The glasses with increasing Pr3+ content exhibited higher shielding potential. It can be said that the ZFLHBPr2.0 sample could be used as a shielding material in various applied fields. Additionally, the effect of Pr composition on structural transitions and time‐dependent volume‐collapse of this new family of borate glass doped with Pr is analyzed by molecular dynamics study (MD) based density functional tight binding method. The simulation results show that the addition of Pr led to the cubic‐orthorhombic transformation of simulation cell at determined temperature and 1 atm pressure. Also, a sudden decrease in volume are observed within a short time at 8% Pr composition (x = 2.0) atmospheric pressure. This result provides a strong connection between Pr composition and volume change with time and at constant low pressure.
A Reconfigurable Ferroelectric Transistor as An Ultra‐Scaled Cell for Low‐Power In‐Memory Data Processing
Authors: Zhu Zhongyunshen , Persson Anton E. O. , Wernersson Lars‐Erik 
Published: August 2024

AbstractCompact in‐memory computing architectures are desirable to embed artificial intelligence (AI) in resource‐restricted edge devices. However, current technologies face limitations in both the area and energy efficiency. Here, a reconfigurable ferroelectric tunnel field‐effect transistor (ferro‐TFET) is presented that can be used as an ultra‐scaled cell for low‐power in‐memory data processing. A gate‐all‐around ferroelectric film is integrated on a vertical nanowire TFET with a gate/source overlapped channel, enabling non‐volatilely reconfigurable anti‐ambipolarity by programming the ferroelectric polarization state. By considering the stored polarization state and reading voltage as inputs, an XNOR operation is achieved in a single‐gate ferro‐TFET. It is shown that the ferro‐TFETs can be implemented in a crossbar array for convolutional frequency filtering whose performance can be evaluated by an impulse‐response method considering the effect of device‐to‐device variation based on statistics. Benefiting from the miniaturized footprint, non‐volatility, and low‐power operation, ferro‐TFETs show promises as a one‐transistor in‐memory computing cell for area‐ and energy‐efficient edge AI applications.
Unveiling High Electro‐Optic Performance in a Proton–π‐Electron‐Coupled Ferroelectric Crystal
Authors: Sunami Keishi , Horiuchi Sachio , Ishibashi Shoji , Tsutsumi Jun'ya 
Published: August 2024

AbstractThe convergence of electronics and photonics is attracting attention for its potential to surpass performance limitations of existing information‐processing devices. In particular, the electro‐optic (EO) effect plays a critical role in high‐speed and low‐power conversion between electrical and optical signals, which is demanded for future communication networks. Here, a novel class of EO material is demonstrated, the organic ferroelectric crystal of croconic acid (CRCA). The recently developed birefringence field‐modulation imaging technique enables high‐throughput evaluation of the EO coefficient for as‐grown bulk crystals, unveiling a figure of merit of >400 for CRCA, which exceeds that of 320 in the conventional EO material LiNbO3 in the visible‐light range. Analyses in conjunction with theoretical calculations clarify that its remarkable EO performance is attributable to deformation of the π‐orbital coupled with the proton displacement. This finding provides a new route for the molecular design of high‐performance EO materials: proton–π‐electron‐coupled ferroelectrics.
Computational and Machine Learning‐Assisted Discovery and Experimental Validation of Conjugated Sulfonamide Cathodes for Lithium‐Ion Batteries
Authors: Zhou Xuan , Xu Cheng , Guo Xiaolong , Apostol Petru , Vlad Alexandru , Janssen René A. J. , Er Süleyman 
Published: August 2024

AbstractConjugated sulfonamides (CSAs) stand out for their propitious electroactivity and notable stability in ambient conditions, making them suitable candidates for high‐potential cathode materials in lithium‐ion batteries (LIBs). This study employs a combination of machine learning, semi‐empirical quantum mechanics, and density functional theory methods to evaluate a large library of 11 432 CSA molecules, focusing on material properties crucial for application in batteries, such as synthetic complexity, redox potential, gravimetric charge capacity, and energy density. After applying the thresholds for the synthetic complexity score at 2.62 and the redox potential at 3.25 V versus Li/Li+, we identify 50 CSA molecules that are easy to synthesize and suitable for the positive electrode in LIBs. By ranking on the basis of redox potential, 13 CSA molecules having potentials greater than 3.50 V versus Li/Li+are identified. Through further investigations using molecular dynamics simulations on these reactant molecules and their lithiated products, a molecule is singled out for synthesis and electrochemical evaluation. This molecule, lithium (2,5‐dicyano‐1,4‐phenylene)bis((methylsulfonyl)amide)(Li2‐DCN‐PDSA), demonstrates a redox potential surpassing those previously reported within the class of CSA molecules. Moreover, the study explores the quantitative structure‐property relations of CSAs, yielding insights for the development of CSA‐based LIB cathode materials, informed by the comprehensive data assembled.
A Small Electrolyte Drop Enables a Disruptive Semisolid High‐Energy Sulfur Battery Cell Design via an Argyrodite‐Based Sulfur Cathode in Combination with a Metallic Lithium Anode
Authors: Kirchhoff Sebastian , Fiedler Magdalena , Dupuy Arthur , Härtel Paul , Semmler Maria , Hippauf Felix , Dörfler Susanne , Schumm Benjamin , Abendroth Thomas , Althues Holger , Kaskel Stefan 
Published: August 2024

AbstractLithium–sulfur batteries with liquid electrolytes are discussed as the most promising post‐lithium‐ion‐battery technology in literature due to their high theoretical specific energy and first prototype cells delivering >470 Wh kg−1. Although several electrolyte and material concepts are developed that partially solve the issue of the so‐called shuttle mechanism, the most promising concept to genuinely confine sulfur species in the cathode is all‐solid‐state argyrodite–sulfur cathodes leading to almost theoretical active material utilization by maintaining reasonable sulfur loadings and electrolyte to sulfur ratios. However, this battery concept has so far not achieved reversible cycling against metallic lithium anodes as it requires high pressures for manufacturing, and ductile lithium metal creeps along the grain boundaries of the solid electrolyte particles leading to short cuts of the cells. Recent findings show that metallic lithium, however, can be stably cycled with dimethoxyethane/lithium‐bis(fluorosulfonyl)imide (DME/LiFSI)‐based electrolytes. Herein, for the first time, a semisolid concept is presented combining the benefits of an argyrodite‐based solid‐state cathode and a DME/LiFSI/hydrofluoroether‐based anolyte concept – in coin cells and first pouch cells. This disruptive approach enables projected specific energies higher than 600 Wh kg−1 at cell stack level.
A Machine Learning‐Enhanced Framework for the Accelerated Development of Spinel Oxide Electrocatalysts
Authors: Jeong Incheol , Shim Yoonsu , Oh Seeun , Yuk Jong Min , Roh Ki‐Min , Lee Chan‐Woo , Lee Kang Taek 
Published: August 2024

AbstractThe surging demand for sustainable energy has spurred intensive research into electrochemical conversion devices such as fuel cells, water splitting, and metal‐air batteries. The performance of oxygen electrocatalysts significantly impacts overall electrochemical efficiency. Recently, spinel oxides (AB2O4) have emerged as promising candidates; however, the scarcity of prior studies underscores the need for a thorough and comprehensive exploration. This study presents a computational framework that integrates machine learning and density functional theory (DFT) calculations for the systematic screening of 1240 spinel oxides. The data scarcity is addressed while enhancing prediction accuracy. Selected candidates are identified to outperform the benchmarking perovskite oxide. Additionally, their potential as mixed ionic and electronic conductors with a 3D network of ion diffusion pathways is highlighted. To further enhance the understanding and prediction of stability, catalytic activity, and reaction mechanisms, a new undemanding descriptor is introduced: the covalency indicator. This study offers a design principle for the development of high‐performance spinel oxide oxygen electrocatalysts.
Planting trees in buffer strips for attenuating phosphorus runoff in Jiangsu Province, China
Authors: Naka Kozma , Wu Yongbo , Kennedy Michael , Yang Jing , Zhu Ying , Mao Anmin , Lü Jian 
Published: August 2024

AbstractIn the last four decades, the Jiangsu province, like the rest of China, has undergone rapid economic development coupled with a rapid increase in environmental pollution. Freshwater ecosystems have been particularly affected. In Lake Tai, China's third‐largest freshwater lake by volume, water quality has been severely reduced. There is a renewed interest in establishing riparian buffer strips in China as a conservation practice for mitigating agricultural non‐point source pollution. To study the effect of riparian buffers on phosphorus attenuation, eight 50 m × 20 m plots were established between a rice farm and the shore of Lake Tai in China, with the 20 m width facing the lake shore. They were planted with hybrid poplar (Populus deltoides × euramericana), hybrid cypress (Taxodium ascendens × mucronatum), or a mixture of both at densities of 2 m × 3 m, 2 m × 5 m, or 5 m × 5 m, while one plot was left as a control. Samples collected from soil, tree leaves, and groundwater during 2014–2018 were analyzed for multiple forms of phosphorus. Results indicated that riparian buffer width and time (year) were the most significant factors of phosphorus attenuation on all plots. Tree density had a minor effect, with medium density being the most effective, and we found negligible differences among hybrid tree species on attenuating phosphorus. Farmers should use densely vegetated buffer strips at least 15 m wide to ensure a significant reduction in nutrient runoff. Species selection should be based on market value and ecological benefits.
Efficacy, crop response, and economics of alternatives to glyphosate for pre‐plant weed control in small grains
Authors: Montgomery Chandra L.‐M. , Spackman Jared A. , Schroeder Kurtis L. , Adjesiwor Albert T. 
Published: August 2024

AbstractThe value of glyphosate to growers practicing minimum or no‐till farming has been primarily a function of three factors: broad‐spectrum weed control, little to no carryover effect, and cost effectiveness. A 2‐year field study was conducted in 2021 and 2022 at the University of Idaho Research and Extension Centers at Kimberly and Aberdeen, ID, to evaluate the efficacy of alternative pre‐plant burndown herbicide treatments as compared to glyphosate treatment, the industry standard in small grain production systems. Herbicide cost comparison and crop injury observation were also conducted. Most herbicide treatments provided 90% control of the predominant weed species at 3 weeks after herbicide application. At least six different herbicide treatments had an equivalent cost to that of glyphosate at $26.50 ha−1. No observable damage from herbicide treatments was observed and crop yield was not affected by the treatments. These factors indicate that there are alternatives to pre‐plant burndown herbicides that are equally effective as glyphosate. With combinations of herbicides, each having a different site of action, weed control can be achieved while simultaneously reducing the risk of herbicide resistance.
Molecularly Imprinted Polymers for Highly Specific Bioorthogonal Catalysis Inside Cells
Authors: Gao Zhiguo , Shao Quanlin , Xing Jiaqi , Liang Yi , Meng Fanzhen , Chen Jian , He Wei , Li Yaojia , Sun Baiwang 
Published: August 2024

AbstractTransition metal catalysts (TMCs) mediated bioorthogonal catalysis expand the chemical possibilities within cells. Developing synthetic TMCs tools that emulate the efficiency and specificity of natural metalloenzymes is a rewarding yet challenging endeavor. Here, we highlight the potential of molecularly imprinted enzyme mimics (MIEs) containing a Cu center and specific substrate binding domain, for conducing dimethylpropargyloxycarbonyl (DmProc) cleavage reactions within cells. Our studies reveal that the Cu‐MIEs act as highly specific guides, precisely catalyzing target substrates, even in glutathione (GSH)‐rich cellular environments. By adapting templates similar to the target substrates, we evolved Cu‐MIEs activity to a high level and provided a method to broaden its scope to other unique substrates. This system was applied to a thyroid hormone (T3)‐responsive gene switch model, inducing firefly luciferase expression by T3 in cells. This approach verifies that MIEs effectively rescue DmProc‐bearing T3 prodrugs and seamlessly integrating themself into cellular biocatalytic networks.