bluuebunny/crossref_metadata_2025 huggingface dataset:
Self‐Assembly for Creating Vertically‐Aligned Graphene Micro Helices with Monolayer Graphene as Chiral Metamaterials
Authors: Lin Zihao , Mikhael Carol , Dai Chunhui , Cho Jeong‐Hyun
Published: April 2024

Graphene's emergence enables creating chiral metamaterials in helical shapes for terahertz (THz) applications, overcoming material limitations. However, practical implementation remains theoretical due to fabrication challenges. This paper introduces a dual‐component self‐assembly technique that enables creating vertically‐aligned continuous monolayer graphene helices at microscale with great flexibility and high controllability. This assembly process not only facilitates the creation of 3D microstructures, but also positions the 3D structures from a horizontal to a vertical orientation, achieving an aspect ratio (height/width) of ≈2700. As a result, an array of vertically‐aligned graphene helices is formed, reaching up to 4 mm in height, which is equivalent to 4 million times the height of monolayer graphene. The benefit of these 3D chiral structures made from graphene is their capability to infinitely extend in height, interacting with light in ways that are not possible with traditional 2D layering methods. Such an impressive height elevates a level of interaction with light that far surpasses what is achievable with traditional 2D layering methods, resulting in a notable enhancement of optical chirality properties. This approach is applicable to various 2D materials, promising advancements in innovative research and diverse applications across fields.
Hierarchically Ordered Pore Engineering of Metal–Organic Framework‐Based Materials for Electrocatalysis
Authors: Li Xiaofang , Wu Xin‐Tao , Xu Qiang , Zhu Qi‐Long
Published: April 2024

Ordered pore engineering that embeds uniform pores with periodic alignment in electrocatalysts opens up a new avenue for achieving further performance promotion. Hierarchically ordered porous metal–organic frameworks (HOP‐MOFs) possessing multilevel pores with ordered distribution are the promising precursors for the exploration of ordered porous electrocatalysts, while the scalable acquisition of HOP‐MOFs with editable components and adjustable pore size regimes is critical. This review presents recent progress on hierarchically ordered pore engineering of MOF‐based materials for enhanced electrocatalysis. The synthetic strategies of HOP‐MOFs with different pore size regimes, including the self‐assembly guided by reticular chemistry, surfactant, nanoemulsion, and nanocasting, are first introduced. Then the applications of HOP‐MOFs as the precursors for exploring hierarchically ordered porous electrocatalysts are summarized, selecting representatives to highlight the boosted performance. Especially, the intensification of molecule and ion transport integrated with optimized electron transfer and site exposure over the hierarchically ordered porous derivatives are emphasized to clarify the directional transfer and integration effect endowed by ordered pore engineering. Finally, the remaining scientific challenges and an outlook of this field are proposed. It is hoped that this review will guide the hierarchically ordered pore engineering of nanocatalysts for boosting the catalytic performance and promoting the practical applications.
A Comprehensive Review of Battery‐Integrated Energy Harvesting Systems
Authors: Han Dong‐Yeob , Song Chi Keung , Lee Gayoung , Song Woo‐Jin , Park Soojin
Published: April 2024

At the forefront of technological advancement, the proliferation of portable and wearable electronics has necessitated the development of innovative power solutions. As these devices become increasingly indispensable in daily life, the demand for sustainable and adaptable power sources has intensified. This review focuses on integrated self‐charging power systems (SCPSs), which synergize energy storage systems, particularly through rechargeable batteries like lithium‐ion batteries, with energy harvesting from solar, mechanical, thermal, and chemical energy. These SCPSs extend operational times, reduce recharging frequency, and have the potential to develop self‐sufficient power systems. The study explores various approaches to optimize both individual components and the integrated power system for wearable and flexible electronics, covering SCPSs that combine multiple energy‐harvesting strategies. Special attention is given to design considerations, material advancements, and engineering challenges, alongside the latest research breakthroughs in energy harvesting and storage technology. The review concludes with an assessment of the prospects and challenges in the field of battery‐integrated energy harvesting systems, highlighting the need for advancements in energy density, power output, and safety to meet the demands of modern electronics.
Efficient Generation of Plasma‐Activated Aerosols with High Concentrations of Reactive Species via Silicon Dioxide Coated Surface Acoustic Wave Devices
Authors: Chew Nicholas S. L. , Roudini Mehrzad , Winkler Andreas , Ooi Chien W. , Yeo Leslie Y. , Tan Ming K.
Published: April 2024

An effective method to deliver plasma‐activated water onto contaminated surfaces is with a surface acoustic wave (SAW) nebulizer that can efficiently produce plasma‐activated aerosols. While higher reactive species concentrations in the plasma‐activated aerosols promote more efficient bacterial inactivation and hence reduce the amount of aerosols needed to completely eradicate the bacteria colonies, higher concentrations of reactive species themselves are found to lead to lower nebulization rates due to the increased electrical conductivity of the solution. To circumvent this problem, it is shown that coating the SAW substrate with a thin insulating layer of silicon dioxide (SiO2) can significantly mitigate the nebulization rate reduction. Specifically, when the electrical conductivity increases from 0.25 to 4.0 mS cm−1, the 62% drop in the nebulization rate is observed with the uncoated SAW devices is substantially reduced to 19% simply with the SiO2 coating. This can be attributed to the synergistic effects of increased wettability and the suppression of the electrical body force acting on the liquid film. The concomitant increase in the bacterial colony reduction from 17% to 76% demonstrates this solution to be a facile yet effective way of enhancing the efficiency for spray‐based bacterial inactivation on contaminated surfaces.
Stereoselective Access to β‐gem‐Difluorinated Alcohols Through Enzymatic Reduction
Authors: Bacheley Lucas , Boutet Julien , Guillamot Gérard , Gilles Pierre , Martin Juliette , Phansavath Phannarath , Ratovelomanana‐Vidal Virginie
Published: April 2024

We report here a mild process to access diversely functionalized enantioenriched β‐gem‐difluorinated (S)‐alcohols by using biocatalytic reduction in >99% yield and enantiomeric excesses ranging from 96% to >99%. This novel approach involves enzymatic reduction of α‐gem‐difluorinated heterocyclic and carbocyclic ketone derivatives as well as an acyclic gem‐difluorinated β‐ketosulfone and proceeds under mild conditions at 30 °C under aqueous conditions to produce a range of high added value enantioenriched difluorinated alcohols including 3,3‐difluorochromanol, 3,3‐difluorothiochromanol, 3,3‐difluoro‐dihydroquinolinol, and α‐difluorinated β‐hydroxysulfone derivatives. A comparative study between enzymatic reduction and metal‐catalyzed asymmetric transfer hydrogenation was carried out as well.
A Bio‐Inspired Artificial Tactile Sensing System Based on Optical Microfiber and Enhanced by Neural Network
Authors: Weng Junjie , Xiao Siyang , Yu Yang , Zhang Jianfa , Chen Jian , Wang Dongying , Wang Zhencheng , Liang Jianqiao , Ma Hansi , Yang Junbo , Wang Tianwu , Zhang Zhenrong
Published: April 2024

Human tactile perception involves the activation of mechanoreceptors located within the skin in response to external stimuli, along with the organization and processing within the brain. However, human sensations may be subject to the issues related to some physiological factors (such as skin injury or neurasthenia), resulting in inability to quantify tactile information. To address this challenge, a novel bio‐inspired artificial tactile (BAT) sensing system enabled by the integration of optical microfiber (OM) with full‐connected neural network (FCNN) in this paper is demonstrated, inspired by human physiological characteristics and tactile mechanisms. In this system, the BAT sensor mimics human skin, where the OM serves as the mechanoreceptor for sensing tactile stimuli, while the FCNN functions as a simulated human brain to train and extract the signal characteristics for intelligent object recognition. The experimental results indicate that the proposed BAT sensor can sensitively respond to both the contact force (static tactile stimuli), as well as the vibrotactile events (dynamic tactile stimuli) for the recognition of regular textures. Furthermore, by integrating the trained FCNN, the BAT sensing system accurately identifies various intricate surface textures with an exceptional accuracy of 95.7%, highlighting its potential in next‐generation human‐machine interaction and advanced robotics.
Predicting Photodetector Responsivity through Machine Learning
Authors: Arjmandi‐Tash Amir‐Mohammad , Mansourian Amir , Rahsepar Fatemeh Rahnemaye , Abdi Yaser
Published: April 2024

This study introduces a novel methodology for predicting photodetector responsivity, specifically targeting challenging materials like borophene. The synthesis of these materials faces substantial experimental complexities, necessitating reliable performance predictions before fabrication. To address this, a comprehensive approach leveraging advanced machine learning techniques, specifically artificial neural networks (ANN), is developed. Integration of X‐ray diffraction (XRD) and Raman spectra data into AI models enables efficient prediction of photodetector efficiency prior to device fabrication. The innovation lies in strategically incorporating Generative Adversarial Networks (GANs) for dataset augmentation, significantly expanding the dataset size and enhancing the robustness of the ANN model. Sensitivity analyses highlighted influential factors such as bias voltage and spectral coefficients, validating the approach and aligning with recent experimental findings. This methodology not only advances optoelectronics, but also holds promise for materials science and device engineering. Predictions for Wavelength‐Responsivity plots, considering borophene allotropes as active layers and n‐Si as substrates, show peaks around 300–400 nm, ranging from 0.04 to 0.36 AW−1 at bias voltages between 1 and 5 volts. These estimations assume a borophene layer thickness of approximately 1.6 nm and a radiation power intensity of 5000 µ Wcm−2.
Programmable Enzymatic Reaction Network in Artificial Cell‐Like Polymersomes
Authors: Seo Hanjin , Lee Hyomin
Published: April 2024

The ability to precisely control in vitro enzymatic reactions in synthetic cells plays a crucial role in the bottom‐up design of artificial cell models that can recapitulate the key cellular features and functions such as metabolism. However, integration of enzymatic reactions has been limited to bulk or microfluidic emulsions without a membrane, lacking the ability to design more sophisticated higher‐order artificial cell communities for reconstituting spatiotemporal biological information at multiple length scales. Herein, droplet microfluidics is utilized to synthesize artificial cell‐like polymersomes with distinct molecular permeability for spatiotemporal control of enzymatic reactions driven by external signals and fuels. The presence of a competing reverse enzymatic reaction that depletes the active substrates is shown to enable demonstration of fuel‐driven formation of sub‐microcompartments within polymersomes as well as realization of out‐of‐equilibrium systems. In addition, the different permeability characteristics of polymersome membranes are exploited to successfully construct a programmable enzymatic reaction network that mimics cellular communication within a heterogeneous cell community through selective molecular transport.
Synchronous Electrochromism and Electrofluorochromism in a Zirconium Pyrenetetrabenzoate Metal–Organic Framework
Authors: Guerraf Abdelqader El , Zeng Wenyi , Mantel Arthur , Benhsina Elhassan , Chin Jia Min , Shiozawa Hidetsugu
Published: April 2024

Redox‐active materials that exhibit both electrochromism and electrofluorochromism have great potential as multifunctional elements in optoelectronics. Here, in situ spectroelectrochemistry is presented on NU‐1000, a zirconium pyrenetetrabenzoate metal–organic framework. A thin film of NU‐1000 exhibits reversible color changes between light yellow and dark blue when subjected to an alternating electrochemical potential. In situ fluorescence excitation‐emission spectral mapping elucidates a dominant blue emission of highly fluorescent electrochromic NU‐1000 that is being quenched via an oxidation reaction. Density‐functional theory calculations reveal the forbidden optical transition between the singly occupied molecular orbital (SOMO) and the lowest unoccupied molecular orbital (LUMO) in the oxidized linker as the cause of the quenching. Double potential step chronoamperometry measures response times as fast as a dozen seconds and excellent switching stability over 500 cycles without noticeable attenuation of the color contrast. These findings provide valuable insight into the electrochromism and electrofluorochromism in metal–organic frameworks, offering exciting opportunities for developing advanced multifunctional porous materials with potential applications in optoelectronics and sensing.
Direct Observation for Distinct Behaviors of Gamma‐Ray Irradiation‐Induced Subgap Density‐of‐States in Amorphous InGaZnO TFTs by Multiple‐Wavelength Light Source
Authors: Yoo Jaewook , Jo Hyeun Seung , Jeon Seung‐Bae , Moon Taehwan , Lee Hongseung , Lim Seongbin , Song Hyeonjun , Lee Binhyeong , Yoon Soon Joo , Kim Soyeon , Park Minah , Park Seohyeon , Jeong Jo Hak , Heo Keun , Lee Yoon Kyeung , Ye Peide D. , Kim TaeWan , Bae Hagyoul
Published: April 2024

The amorphous In─Ga─Zn─O (a‐IGZO) thin film transistors (TFTs) have attracted attention as a cell transistor for the next generation DRAM architecture because of its low leakage current, high mobility, and the back‐end‐of‐line (BEOL) compatibility that enables monolithic 3D (M3D) integration. IGZO‐based electronic devices used in harsh environments such as radiation exposure can be vulnerable, resulting in functional failure. Here, the behavior of subgap density‐of‐states (DOS) over full subgap range according to the impactful gamma‐ray irradiation in a‐IGZO TFTs is investigated by employing DC current–voltage (I−V) data with multiple‐wavelength light sources. To understand the origins of the radiation effect, IGZO films have been also analyzed by x‐ray photoelectron spectroscopy (XPS). Considering in‐depth electrical and chemical analysis, the unexpected increase of subthreshold leakage current caused by total ionizing dose (TID) is strongly correlated with newly discovered deep‐donor states () at the specific energy level. In particular, oxygen vacancies caused by the gamma‐ray irradiation give rise to undesirable electrical characteristics such as hysteresis effect and negative shift of threshold voltage (VT). Furthermore, the TCAD simulation results based on DOS model parameters are found to exhibit good agreement with experimental data and plausible explanation including ().
Comprehensive Dopant Screening in Li7La3Zr2O12 Garnet Solid Electrolyte
Authors: Anderson Ethan , Zolfaghar Elliot , Jonderian Antranik , Khaliullin Rustam Z. , McCalla Eric
Published: April 2024

Promising Li7La3Zr2O12 (LLZO) garnet electrolytes for solid Li batteries are highly sensitive to doping to modify performance. Herein, LLZO samples with 59 different elemental dopants are synthesized with substitutions on each of the 3 sites (177 total materials). Many potential dopants successfully integrate into the LLZO garnet crystal structure (either cubic or tetragonal), while doping on the optimum site predicted from either previous DFT calculations or the far cheaper bond valence calculations promotes the cubic phase. Room temperature ionic conductivities of up to 1.2 × 10−3 S cm−1 are achieved demonstrating the quality of materials made in high‐throughput here, and 36 different dopants yield a >10x improvement in conductivity over undoped LLZO. This opens up dramatically the playground for new garnet materials. Other important metrics for electrolytes are also screened systematically. Electronic conductivity is generally suppressed with doping, though certain dopants need to be avoided as they enhance the risk of dendrite formation. The electrochemical stability window of the doped LLZO samples is also screened carefully and shows tunability with certain dopants improving the high voltage stability while others help at low voltage. The results will therefore serve to guide rational codoping studies to combine the benefits of various dopants.
High‐Power‐Density Hybrid Acid/Alkali Zinc–Air Battery for High‐Efficiency Desalination
Authors: Gao Jiyuan , Pan Duo , Chen Kai , Liu Yangjie , Chen Junxiang , Wen Zhenhai
Published: April 2024

The electrochemical desalination technique is recognized as a promising solution to alleviate freshwater shortages, challenges yet persists in achieving optimal energy efficiency and cost‐effectiveness. Herein, a hybrid acid/alkali zinc air desalination battery (hAA‐ZADB) capable of concurrent desalination and high‐power density is reported. To improve cathodic efficiency and cost‐effectiveness, an electrocatalyst with dual atomic Fe–Mn sites on porous dodecahedral carbon (Mn‐Fe/p‐DC) is fabricated through a simple direct pyrolysis strategy for oxygen reduction reaction (ORR). The Mn–Fe/p‐DC‐900 electrocatalyst demonstrates exceptional electrocatalytic activity (E1/2 = 0.8 V in 0.5 m H2SO4) for ORR. This innovative hybrid acid/alkali cell design, coupled with advanced electrocatalysts, empowers the hAA‐ZADB system to achieve outstanding performance benchmarks with a high open circuit voltage of 2.22 V, an impressive power density of 375 mW cm−2, and notably elevated energy output of 106.9 kJ mol−1 even at a current density of 100 mA cm−2 during desalination. Distinguishing this work is its additional functionality, evident in a rapid salt removal rate of 3.64 mg cm−2 min−1 during desalination, achieving an impressive 88.67% removal of 0.6 M NaCl. This study highlights the promising potential of employing metallic air batteries for a self‐powered desalination technique applicable to specific scenarios.
Navigating the Carbon Maze: A Roadmap to Effective Carbon Conductive Networks for Lithium‐Ion Batteries
Authors: Baumgärtner Julian F. , Kravchyk Kostiantyn V. , Kovalenko Maksym V.
Published: April 2024

Conductive networks are integral components in Li‐ion battery electrodes, serving the dual function of providing electrons to the active material while its porosity ensures Li‐ion electrolyte accessibility to deliver and release Li‐ions, thereby ultimately determining the electrochemical performance of the battery. In the realm of academic research, the task of fabricating an electrode endowed with an effective conductive network has emerged as a daunting challenge, profoundly influencing a researcher's ability to showcase the intrinsic electrochemical performance of an active material. In the diverse landscape of conductive additives for battery electrodes, researchers are faced with a myriad of options when deciding on the appropriate additive and optimal electrode preparation methodology. This review seeks to provide a fundamental understanding and practical guidelines for designing battery electrodes with effective conductive networks across various length scales. This involves the meticulous selection of specific carbon conductive additives from the plethora of options and the exploration of methods for their effective integration into the electrode, all tailored to the unique characteristics of the active materials and the specific research objectives.
Design Principle of Insulating Surface Protective Layers for Metallic Zn Anodes: A Case Study of ZrO2
Authors: Wei Binbin , Zheng Jiaxian , Abhishek  , Liu Xin , Wu JinGang , Qi Zhengbing , Hou Zhuo , Wang Rui , Ma Jidong , Gandi Appala Naidu , Wang Zhoucheng , Liang Hanfeng
Published: April 2024

Aqueous Zn batteries, which use metallic Zn as anodes, have gained significant attention due to their affordability and high safety standards. However, these Zn anodes are plagued by issues such as Zn dendritic growth and side reactions, including corrosion and hydrogen evolution. One straightforward yet effective approach to mitigate these issues is to apply protective coatings to the Zn anodes to enhance their reversibility. It is generally believed that these protective layers should have a high affinity for Zn. Contrarily, this study proposes that non‐conductive coatings should form a strong binding with H+ ions while maintaining a weaker interaction with Zn2+ ions, thereby ensuring a higher selectivity for H+ over Zn2+. This concept is illustrated using zirconium dioxide (ZrO2), an ionic conductor that meets these criteria and effectively curbs side reactions and dendritic growth of Zn. Remarkably, Zn anodes coated with ZrO2 layer demonstrate a lifespan exceeding 6000 h at 1 mA cm−2 and 1 mAh cm−2, significantly outperforming uncoated ones, which last <200 h. This discovery introduces a novel design principle for insulating surface coatings, potentially applicable not only for Zn but also for other metal anodes.
An environmental corrected descriptor based on d‐orbital spin states for atomically dispersed dual‐metal catalysts
Authors: Han Linkai , Qiu Wenhao , Xiang Zhonghua
Published: April 2024

Atomically dispersed dual‐metal sites catalysts, also named as dual‐atom catalysts, have become a frontier, since they combine the merits of homogeneous and heterogeneous catalysts to satisfy the demands for critical catalytic reactions in green energy industrial equipment. However, the absence of further understanding for the evolution of catalyst structures in reaction environments results in a significant gap between the theoretical and experimental. Here, we provide a model to understand the evolution of the active configuration in acidic oxygen reduction and evolution reactions and propose an environmental corrected descriptor (Δξ) based on d‐orbital spin states to reveal the activity control mechanism. Taking the acidic ORR as an example, Δξ correlated well with the overpotential (R2 = 0.96), which is determined by the number of electron occupancies in dz2 orbital (Fdz2). Accordingly, this work provides new insights into the design of green energy industrial catalysts in reaction environments.
Efficient electrolysis of CO2 capture solution to syngas over Ni‐N‐C catalyst
Authors: Sheng Xuedi , Ge Wangxin , Dong Lei , Jiang Hongliang , Li Chunzhong
Published: April 2024

Carbon dioxide (CO2) electrolysis is an important process for storing excess renewable electricity. However, this process is commonly carried out in a high‐purity‐CO2 environment. Here, we conduct a systematic investigation into the operational performance of CO2 capture solutions for producing syngas. Using Ni‐N‐C electrocatalysts, by reducing the thickness of the catalytic layer and accelerating the mass transport, we achieve 58.6% CO Faradaic efficiency at a current density of 100 mA cm−2 and a full cell voltage of 3.67 V. Efficient syngas (MolH2/MolCO = 1–4) production has achieved at a wide range of current densities, that is, 100 to 300 mA cm−2 using a 3 M KHCO3 solution. It is also demonstrated that the Ni‐N‐C electrocatalysts compared to commercial Ag catalysts show better impurity tolerance and CO selectivity. These findings underscore the potential of CO2 capture solution as a direct carbon source for CO2 electrolysis.
MINocyclinE to Reduce inflammation and blood‐brain barrier leakage in small Vessel diseAse (MINERVA): A phase II, randomized, double‐blind, placebo‐controlled experimental medicine trial
Authors: Brown Robin B. , Tozer Daniel J. , Loubière Laurence , Harshfield Eric L. , Hong Young T. , Fryer Tim D. , Williams Guy B. , Graves Martin J. , Aigbirhio Franklin I. , O'Brien John T. , Markus Hugh S.
Published: April 2024

INTRODUCTION

Cerebral small vessel disease (SVD) is a common cause of stroke/vascular dementia with few effective treatments. Neuroinflammation and increased blood‐brain barrier (BBB) permeability may influence pathogenesis. In rodent models, minocycline reduced inflammation/BBB permeability. We determined whether minocycline had a similar effect in patients with SVD.

METHODS

MINERVA was a single‐center, phase II, randomized, double‐blind, placebo‐controlled trial. Forty‐four participants with moderate‐to‐severe SVD took minocycline or placebo for 3 months. Co‐primary outcomes were microglial signal (determined using 11C‐PK11195 positron emission tomography) and BBB permeability (using dynamic contrast‐enhanced MRI).

RESULTS

Forty‐four participants were recruited between September 2019 and June 2022. Minocycline had no effect on 11C‐PK11195 binding (relative risk [RR] 1.01, 95% confidence interval [CI] 0.98–1.04), or BBB permeability (RR 0.97, 95% CI 0.91–1.03). Serum inflammatory markers were not affected.

DISCUSSION

11C‐PK11195 binding and increased BBB permeability are present in SVD; minocycline did not reduce either process. Whether these pathophysiological mechanisms are disease‐causing remains unclear.

INTERNATIONAL CLINICAL TRIALS REGISTRY PORTAL IDENTIFIER

ISRCTN15483452

Highlights

We found focal areas of increased microglial signal and increased blood‐brain barrier permeability in patients with small vessel disease.

Minocycline treatment was not associated with a change in these processes measured using advanced neuroimaging.

Blood‐brain barrier permeability was dynamic but MRI‐derived measurements correlated well with CSF/serum albumin ratio.

Advanced neuroimaging is a feasible outcome measure for mechanistic clinical trials.
Synthesis of organosilicon‐containing phosphinyl ligands and application in the iron catalyzed hydrosilylation of olefins
Authors: Bai Ying , Liu Jun , Ouyang Ting , Lan Huiling , Peng Jiajian , Li Jiayun
Published: April 2024

Hydrosilylation of unsaturated C‐C bonds with hydrosilanes is very important process to access functional organosillicon compounds. Ligands with phosphorus atoms act as a major role in the hydrosilylation of alkenes. A series of organosilicon‐containing phosphinyl ligands were prepared, and the application as ligands for iron catalyzed hydrosilylation of alkenes had been investigated. These catalytic systems show excellent catalytic performance for hydrosilylation of alkenes without other activator. FeCl2/L1 catalyst system showed the best catalytic performance (97.6% conversion of 1‐octene with 99.1% selectivity of the β‐adduct) for the hydrosilylation of olefins, and the hydrosilylation products can be obtained with higher yield for different straight chain olefin.
Synthesis of diacylglycerol‐terminated lipid–polymer conjugates: Application to cell surface modification
Authors: Wang Wenjin , Zhou Chuanjiang , Guo Jiangping , Yu Yijia , Xia Wenjuan , Wu Zhaoqiang , Chen Hong
Published: April 2024

With the demand for the development of lipid–polymer conjugates (LPCs) for biomedical applications, the development of novel, rapid, and efficient methods for the synthesis of LPCs is of great significance. In this study, a novel Y‐type photoinitiator (Lipid‐PI) containing a diacylglycerol group was first synthesized, and then the polymerization of conjugated vinyl monomers such as oligoethylene glycol methyl ether methacrylate (OEGMA) and N,N‐dimethylacrylamide could be rapidly initiated by the Lipid‐PI initiator under Mn2(CO)10 and visible light radiation at room temperature to efficiently prepare LPCs. The 1H‐NMR results revealed that the diacylglycerol moiety resided at the terminal position of the LPCs molecular chain. Through dynamic light scattering and transmission electron microscopy techniques, it was found that the Lipid‐POF (POF is defined as poly(OEGMA‐co‐FluMA)) prepared from OEGMA monomers can self‐assemble into spherical micelles with a particle size of approximately 80 nm in pure water. Furthermore, the in vitro bioassay results illustrate that the prepared Lipid‐POF not only can successfully modify the L929 cell surface but also has good biocompatibility. Overall, this study not only provides a fast and efficient method for synthesizing LPCs but also has broad application potential in the biomedical field.
Preparation and properties of pale‐colored and optically transparent fluoro‐containing polyimide films with low solar absorptivity and enhanced high‐temperature dimensional stability for potential applications in space environments
Authors: Wang Zhenzhong , He Zhibin , Ren Xi , Zhang Yan , Wang Xiaolei , Yang Changxu , Han Shujun , Yu Haifeng , Liu Jin‐gang
Published: April 2024

Two organo‐soluble polyimide (PI) resins were prepared from a tricyclic fluoro‐containing dianhydride 9,9‐bis(trifluoromethyl)xanthene‐2,3,6,7‐tetracarboxylic dianhydride (6FCDA) and aromatic diamine of 2,2‐bis[4‐(4‐aminophenoxy)phenyl]hexafluoropropane (BDAF) for PI‐IIa and 1,3‐bis(3‐aminophenoxy)benzene (133APB) for PI‐IIb, respectively. For comparison, two analogous PIs were prepared from 4,4′‐(hexafluoroisopropylidene)diphthalic anhydride (6FDA) and the same diamines to afford PI‐Ia (6FDA‐BDAF) and PI‐Ib (6FDA‐133APB), respectively. Incorporation of the rigid and planar xanthene units in the 6FCDA‐PIs obviously decreased the solubility of the resins in organic solvents. Flexible and tough PI films were fabricated from the PI solutions in N,N‐dimethylacetamide (DMAc). The PI films derived from the rigid and planar 6FCDA dianhydride exhibited obviously enhance thermal stability, and high‐temperature dimensional stability. For example, PI‐IIa (6FCDA‐BDAF) showed the glass transition temperature (Tg) and coefficient of linear thermal expansion (CTE) values of 311.5°C and 50.5 × 10−6/K, respectively, which were all superior to those of the PI‐Ia counterpart (Tg = 264.6°C; CTE = 55.4 × 10−6/K). In addition, the 6FCDA‐PI films maintained the intrinsically excellent optical transparency of the fluoro‐containing PI films and showed the comparable optical properties to those of the 6FDA‐PI films. As for the properties highly related to the space applications, all the PI films exhibited low solar absorptivity (α) values of 0.18–0.20 and the good thermal emissivity (ε) values in the range of 0.68–0.70. PI‐Ia (6FDA‐BDAF) and PI‐IIa (6FCDA‐BDAF) films showed the similar atomic oxygen erosion behaviors with the standard Kapton® type of PI film derived from pyromellitic dianhydride (PMDA) and 4,4′‐oxydianiline (ODA).
Spirooxadiazoline‐oxindoles derived from imatinib show antimyeloproliferative potential in K562 cells
Authors: de Azevedo Liviane D. , Leite Debora I. , de Oliveira Andressa P. , Junior Floriano P. S. , Dantas Rafael F. , Bastos Monica M. , Boechat Nubia , Pimentel Luiz C. F.
Published: April 2024

Imatinib mesylate was the first representative BCR‐ABL1 tyrosine kinase inhibitor (TKI) class for the treatment of chronic myeloid leukemia. Despite the revolution promoted by TKIs in the treatment of this pathology, a resistance mechanism occurs against all BCR‐ABL1 inhibitors, necessitating a constant search for new therapeutic options. To develop new antimyeloproliferative substances, we applied a medicinal chemistry tool known as molecular hybridization to design 25 new substances. These compounds were synthesized and biologically evaluated against K562 cells, which express BCR‐ABL1, a constitutively active tyrosine kinase enzyme, as well as in WSS‐1 cells (healthy cells). The new compounds are conjugated hybrids that contain phenylamino‐pyrimidine‐pyridine (PAPP) and an isatin backbone, which are the main pharmacophoric fragments of imatinib and sunitinib, respectively. A spiro‐oxindole nucleus was used as a linker because it occurs in many compounds with antimyeloproliferative activity. Compounds 2a, 2b, 3c, 4c, and 4e showed promise, as they inhibited cell viability by between 45% and 61% at a concentration of 10 µM. The CC50 of the most active substances was determined to be within 0.8–9.8 µM.
Uranium Oxide Hydrate Frameworks with Dy(III) or Lu(III) Ions: Insights Into the Framework Structures With Lanthanide Ions
Authors: Zhang Yingjie , Lu Kimbal T. , Ablott Timothy A. , Zheng Rongkun
Published: April 2024

Two uranium oxide hydrate frameworks (UOHFs) with either Dy3+ or Lu3+ ions, Dy1.36(H2O)6[(UO2)10UO13(OH)4] (UOHF‐Dy) or Lu2(H2O)8[(UO2)10UO14(OH)3] (UOHF‐Lu), were synthesized hydrothermally and characterized with a range of structural and spectroscopic techniques. Although SEM‐EDS analysis confirmed the same atomic ratio of ~5.5 for U : Dy and U : Lu, they displayed different crystal morphologies, needles for UOHF‐Dy in the orthorhombic C2221 space group and plates for UOHF‐Lu in the triclinic P‐1 space group. Both frameworks are composed of β‐U3O8 type layers linked by pentagonal bipyramidal uranium polyhedra, with the Dy3+/Lu3+ ions inside the channels. However, the arrangements of Dy3+/Lu3+ ions are different, with disordered Dy3+ ions well aligned at the centers of the channels and single Lu3+ ions well‐separated in a zigzag pattern in the channels. While the characteristic vibrational modes were revealed by Raman spectroscopy, the presence of a pentavalent uranium center in UOHF‐Lu was confirmed with diffuse reflectance spectroscopy. The formation of two types of UOHFs with lanthanide ions, high or low symmetry, and the structure trend were discussed regards to synthesis conditions and lanthanide ionic radius. This work highlights the complex chemistry driving the formation of UOHFs with lanthanide ions and has implications to the spent nuclear fuel under geological disposal.
Square‐planar Tetranuclear Cluster‐based Alkaline Earth Metal–organic Frameworks with Enhanced Proton Conductivity
Authors: Wang Hui‐Pu , Liu Jin‐Cheng , Li Shu‐Fan , Meng Ya‐Ru , Zhang Gen , Su Jian
Published: April 2024

Alkaline earth (AE) metal complexes have garnered significant interest in various functional fields due to their nontoxicity, low density, and low cost. However, there is a lack of systematic investigation into the structural characteristics and physical properties of AE‐metal‐organic frameworks (MOFs). In this research, we synthesized isostructural MOFs consisting of AE4(μ4‐Cl) clusters bridged by benzo‐(1,2;3,4;5,6)‐tris(thiophene‐2′‐carboxylic acid) (BTTC3−) ligands. The resulting structure forms a truncated octahedral cage denoted as [AE4(m4‐Cl)]6(BTTC)8, which further linked to a porous three‐dimensional framework. Among the investigated AE ions (Ca, Sr, and Ba), the Ca4‐MOF demonstrated good chemical stability in water compared to Sr4‐MOF and Ba4‐MOF. The N2 adsorption and solid‐state UV‐vis‐NIR absorption behaviors were evaluated for all AE4‐MOFs, showing similar trends among the different metal ions. Additionally, the proton conduction study revealed that the Ca4‐MOF exhibited ultra‐high proton conductivity, reaching 3.52×10−2 S cm−1 at 343 K and 98 % RH. Notably, the introduction of LiCl via guest exchange resulted in an improved proton conduction of up to 6.36×10−2 S cm−1 under similar conditions in the modified LiCl@Ca4‐MOF. The findings shed light on the regulation of physical properties and proton conductivity of AE‐MOFs, providing valuable insights for their potential applications in various fields.
In vitro antibacterial activity of antibiotics and plant essential oils against Escherichia coli MTCC443 supported through the molecular docking and pharmacokinetics study
Authors: Jain Saurabh , Shukla Adarsh Kumar , Panwar Surbhi , Kumar Rajesh , Kumar Ashwani
Published: April 2024

Most of the Escherichia coli turned into serious pathogens or developed antibiotic resistance, mainly due to their ability to show different phenotypic traits. In order to overcome the resistance to these antibiotics, the use of essential oils (EOs) is of great significance against highly pathogenic microorganisms. This study has been made to compare the in vitro antibacterial activity and further validated the same through the molecular docking study of 13 antibiotics such as ciprofloxacin, chloramphenicol, erythromycin, ampicillin, cefotaxime, rifampicin, kanamycin, vancomycin, streptomycin, penicillin, nalidixic acid, trimethoprim, and polymyxin, and 10 EOs such as garlic, tulsi, neem, clove, thyme, peppermint, coriander, tea, lavender, and eucalyptus against the target protein (DNA gyrase) of E. coli MTCC443. E. coli Microbial Type Culture Collection 443 was found to be highly sensitive to ciprofloxacin (zone of inhibition [ZOI], 2.5 cm ±0.1) and chloramphenicol (ZOI, 1.8 cm ±0.1), whereas garlic oil (ZOI, 5.5 cm ±0.1) and coriander oil (ZOI, 4.4 cm ±0.1) were found comparatively most effective. Further, the in silico investigation observed the same; ciprofloxacin (binding affinity: −7.2 kcal/mol) and chloramphenicol (binding affinity: −6.6 kcal/mol). Penicillin (binding affinity: −4.2 kcal/mol) and polymyxin (binding affinity: −0.3 kcal/mol) were found to be least effective against the tested microbe, whereas vancomycin (binding affinity: +0.8 kcal/mol) had no effect on it. Garlic (binding affinity: −7.8 kcal/mol), coriander (binding affinity: −6.8 kcal/mol), peppermint (binding affinity: −6.2 kcal/mol), and neem (binding affinity: −6.2 kcal/mol) oil exhibited the potent antibacterial activity against E. coli MTCC443, whereas thyme (binding affinity: −6.1 kcal/mol), tea tree (binding affinity: −4.9 kcal/mol), and tulsi (binding affinity: −3.8 kcal/mol) oil were observed moderately effective. Eucalyptus (binding affinity: −2.9 kcal/mol) and lavender (binding affinity: −2.8 kcal/mol) oil were found to be the least effective among all the oils tested. The pharmacokinetics and networking were performed to the pharmacology of the potential compounds.
Kombinierte Kapillartransportfunktion für Saugen und Weiterverteilen
Authors: Krus Martin , Peuser Michael Thomas
Published: April 2024

Mit der Software‐Familie WUFI und ihrer weltweit hohen Anzahl von Anwendern wurde ein validiertes hygrothermisches Simulationssystem entwickelt. Insbesondere die Verwendung unterschiedlicher Feuchtetransportkoeffizienten für Saugen und Weiterverteilen hat einen großen Einfluss auf die Berechnungsergebnisse. Um den Aufwand zu begrenzen, wird derzeit ein einfacher Ansatz gewählt. Immer wenn die Fassade befeuchtet ist, werden die Transportkoeffizienten für das Saugen für die gesamte Konstruktion und ohne Befeuchtung die für das Weiterverteilen verwendet. Da die Regenzeiten in Deutschland weniger als 4 % ausmachen, ergibt sich daraus in der Regel nur ein relativ kleiner Fehler. Dies ändert sich, wenn Berechnungen für Regionen mit deutlich höheren Niederschlagszeiten durchgeführt werden. Unser Ansatz besteht in einer einzigen Kapillartransportfunktion, bei der die Transportkoeffizienten im unteren Feuchtebereich denen der Weiterverteilung entsprechen und im oberen Bereich an das kapillare Aufnahmevermögen (hauptsächlich über den w‐Wert) angepasst sind. Die Eignung dieses Ansatzes wurde anhand eindimensionaler hygrothermischer Berechnungen für verschiedene Wandkonstruktionen und unterschiedliche Innen‐ und Außenklimate untersucht und bewertet. Es konnte gezeigt werden, dass dieser Ansatz im Allgemeinen eine gute Übereinstimmung mit den Ergebnissen des bisherigen Ansatzes aufweist. Außerdem erfolgte zusätzlich eine Validierung mit Messergebnissen aus einer Freilanduntersuchung.
Einfach Bauen und Schallschutz – ein Konflikt?
Authors: Niemann Anne , Schanda Ulrich
Published: April 2024

In der Diskussion um bezahlbares Bauen werden aktuell die Standards im Wohnungsbau hinterfragt, darunter auch die Schallschutzanforderungen. Die Wahrnehmung von Schallschutz ist subjektiv und wird von verschiedenen Faktoren wie Alter und individuellen Empfindlichkeiten beeinflusst. Nachbarschaftslärm kann zu Schlafstörungen und Belästigungen führen, während Verkehrslärm nachweislich Gesundheitsprobleme verursacht. Das Konzept „Einfach Bauen“ zielt darauf ab, das Bauen zu vereinfachen und nachhaltiger zu gestalten. Drei Forschungshäuser, die diesem Konzept folgen, wurden auf Schallschutz überprüft. Dabei erfüllten Wohnungstrennwände und ‐decken die Anforderungen. Die Untersuchung der Bewohnerzufriedenheit durch Befragungen in diesen Häusern zeigt, dass die Wahrnehmung von Lärm stark variiert. Die Zufriedenheit wird durch die Kommunikation mit den Nachbarn beeinflusst. Das Fallbeispiel verdeutlicht, dass Schallschutzanforderungen oft nicht den individuellen Lärmempfinden gerecht werden, da nicht‐akustische Faktoren eine starke Rolle spielen. Die Erwartung eines reduzierten Schallschutzes bei „Einfach Bauen“ kann zu Fehlvorstellungen führen, wie der Auszug von Bewohnern aus Schallschutzgründen zeigt. Die derzeitigen Mindestanforderungen an den Schallschutz erweisen sich für sehr empfindsame Menschen als unzureichend. Es ist wichtig, dass die Bewohner über den zu erwartenden Schallschutz informiert werden, um ein harmonisches Zusammenleben zu ermöglichen.
Data‐Driven Design of NASICON‐Type Electrodes Using Graph‐Based Neural Networks
Authors: Shim Yoonsu , Jeong Incheol , Hur Junpyo , Jeen Hyoungjeen , Myung Seung‐Taek , Lee Kang Taek , Hong Seungbum , Yuk Jong Min , Lee Chan‐Woo
Published: April 2024

Sodium superionic conductor (NASICON)‐type cathode materials are considered promising candidates for high‐performance sodium‐ion batteries (SIBs) because of the abundance and low cost of raw materials. However, NASICON‐type cathodes suffer from low capacities. This limitation can be addressed through the activation of sodium‐excess phases, which can enhance capacities up to theoretical values. Thus, this paper proposes the use of transition metal (TM)‐substituted Na3V2(PO4)2F3 (NVPF) to induce sodium‐excess phases. To identify suitable doping elements, an inverse design approach is developed, combining machine learning prediction and density functional theory (DFT) calculations. Graph‐based neural networks are used to predict two crucial properties, i. e., the structural stability and voltage level. Results indicate that the use of TM‐substituted NVPF materials leads to about 150 % capacity enhancement with reduced time and resource requirements compared with the direct design approach. Furthermore, DFT calculations confirm improvements in cyclability, electronic conductivity, and chemical stability. The proposed approach is expected to accelerate the discovery of superior materials for battery electrodes.
Evolution of dynamic capabilities for business sustainability performance: Evidence from the Indian manufacturing sector
Authors: Bhadra K. V. , Kamalanabhan T. J. , Singh Sanjay Kumar
Published: April 2024

Firms can achieve trinomial sustainability goals if they can constantly build and rejuvenate their capabilities to adapt to new situations. However, few studies consider the interrelationships between the distinct capabilities pertinent to sustainable development and the impact of these capabilities on firm performance under diverse contexts, especially in emerging economies. Drawing on dynamic capability theory, we developed a model to test the links between dynamic sustainability capability, theorized as a higher order capability, and relational and managerial capabilities, theorized as lower order capabilities, to the firm's sustainability performance. Data collected from 210 large Indian manufacturing firms is analyzed using PLS‐SEM. Results confirm that dynamic sustainability capability has facilitating effects on environmental and social performance directly and indirectly through managerial capability. Although relational capability partially mediates the link between dynamic sustainability capability and social performance, it does not impact environmental performance. Further, the aforementioned relationships are affected by forces in the firms' environment. Most of the direct and indirect relationships are negatively moderated by organizational inertia and positively moderated by environmental turbulence. By investigating the hierarchically structured capabilities, this study guides firms to make strategic choices regarding resource calibration for sustainability. The study recommends that organizations looking to integrate dynamic sustainability capability as part of their strategic management should look at the sequential combinations of existing resources to achieve different sustainability targets. The study's findings also urge policymakers to consider environmental conditions while developing sustainability reforms.
Dissolved gases from pressure changes in the lungs elicit an immune response in human peripheral blood
Authors: Harrell Abigail G. , Thom Stephen R. , Shields C. Wyatt
Published: April 2024

Conventional dogma suggests that decompression sickness (DCS) is caused by nitrogen bubble nucleation in the blood vessels and/or tissues; however, the abundance of bubbles does not correlate with DCS severity. Since immune cells respond to chemical and environmental cues, we hypothesized that the elevated partial pressures of dissolved gases drive aberrant immune cell phenotypes in the alveolar vasculature. To test this hypothesis, we measured immune responses within human lung‐on‐a‐chip devices established with primary alveolar cells and microvascular cells. Devices were pressurized to 1.0 or 3.5 atm and surrounded by normal alveolar air or oxygen‐reduced air. Phenotyping of neutrophils, monocytes, and dendritic cells as well as multiplexed ELISA revealed that immune responses occur within 1 h and that normal alveolar air (i.e., hyperbaric oxygen and nitrogen) confer greater immune activation. This work strongly suggests innate immune cell reactions initiated at elevated partial pressures contribute to the etiology of DCS.
Aortic root morphometry revisited—Clinical implications for aortic valve interventions
Authors: Dudkiewicz Damian , Lis Maciej , Yakovliev Artem , Hołda Jakub , Bolechała Filip , Strona Marcin , Kopacz Paweł , Hołda Mateusz K.
Published: April 2024

The complex anatomy of the aortic root is of great importance for many surgical and transcatheter cardiac procedures. Therefore, the aim of this study was to provide a comprehensive morphological description of the nondiseased aortic root. We morphometrically examined 200 autopsied human adult hearts (22.0% females, 47.9 ± 17.7 years). A meticulous macroscopic analysis of aortic root anatomy was performed. The largest cross‐section area of the aortic root was observed in coaptation center plane (653.9 ± 196.5 mm2), followed by tubular plane (427.7 ± 168.0 mm2) and basal ring (362.7 ± 159.1 mm2) (p < 0.001). The right coronary sinus was the largest (area: 234.3 ± 85.0 mm2), followed by noncoronary sinus (218.7 ± 74.8 mm2) and left coronary sinus (201.2 ± 78.08 mm2). The noncoronary sinus was the deepest, followed by right and left coronary sinus (16.4 ± 3.2 vs. 15.9 ± 3.1 vs. 14.9 ± 2.9 mm, p < 0.001). In 68.5% of hearts, the coaptation center was located near the aortic geometric center. The left coronary ostium was located 15.6 ± 3.8 mm above sinus bottom (within the sinus in 91.5% and above sinutubular junction in 8.5%), while for right coronary ostium, it was 16.2 ± 3.5 mm above (83.5% within sinus and 16.5% above). In general, males exhibited larger aortic valve dimensions than females. A multiple forward stepwise regression model showed that anthropometric variables might predict the size of coaptation center plane (age, sex, and heart weight; R2 = 31.8%), tubular plane (age and sex; R2 = 25.6%), and basal ring (age and sex; R2 = 16.9%). In conclusion, this study presents a comprehensive analysis of aortic‐root morphometry and provides a platform for further research into the intricate interplay between structure and function of the aortic root.