bluuebunny/crossref_metadata_2025_split huggingface dataset:
NSGA‐II algorithm‐based automated cigarette finished goods storage level optimization research
Authors: Hu Yewei , Dong Guangjun , Wang Bin , Liu Xiyao , Wen Jun , Dai Ming , Wu Zongrui 
Published: November 2023

AbstractWith the growth of Internet of Things technology, more and more businesses are implementing automated cargo storage systems. By using an appropriate automated storage space allocation model, these businesses can significantly reduce their storage pressure while saving money on logistics and increasing the effectiveness of their product distribution. Therefore, the study is based on the non‐dominated sorting genetic algorithms II (non‐dominated sorting genetic algorithm, NSGA II), which combines the three basic principles of space allocation as the objective function applied to the allocation model of the algorithm, in order to optimize the space model for automated storage of finished cigarettes. The algorithm is run to obtain 20 Pareto solutions and examine their three objective functions. The experiment's findings revealed, after optimizing the NSGA‐II algorithm in this study, the average reduction rate of shipping efficiency is 32%, the average reduction rate of shelf stability is 54%, and the average reduction rate of product correlation is about 77%, indicating that the algorithm optimization is highly effective.
Recovery of Therapeutically Ablated Engineered Blood‐Vessel Networks on a Plug‐and‐Play Platform
Authors: Krattiger Lisa A. , Moser Lukas O. , Odabasi Rodi , Odriozola Adolfo , Simona Benjamin R. , Djonov Valentin , Tibbitt Mark W. , Ehrbar Martin 
Published: November 2023

AbstractLimiting the availability of key angiogenesis‐promoting factors is a successful strategy to ablate tumor‐supplying blood vessels or to reduce excessive vasculature in diabetic retinopathy. However, the efficacy of such anti‐angiogenic therapies (AATs) varies with tumor type, and regrowth of vessels is observed upon termination of treatment. The ability to understand and develop AATs remains limited by a lack of robust in vitro systems for modeling the recovery of vascular networks. Here, complex 3D micro‐capillary networks are engineered by sequentially seeding human bone marrow‐derived mesenchymal stromal cells and human umbilical vein endothelial cells (ECs) on a previously established, synthetic plug‐and‐play hydrogel platform. In the tightly interconnected vascular networks that form this way, the two cell types share a basement membrane‐like layer and can be maintained for several days of co‐culture. Pre‐formed networks degrade in the presence of bevacizumab. Upon treatment termination, vessel structures grow back to their original positions after replenishment with new ECs, which also integrate into unperturbed established networks. The data suggest that this plug‐and‐play platform enables the screening of drugs with blood‐vessel inhibiting functions. It is believed that this platform could be of particular interest in studying resistance or recovery mechanisms to AAT treatment.
Peptide Amphiphiles as Biodegradable Adjuvants for Efficient Retroviral Gene Delivery
Authors: Kaygisiz Kübra , Rauch‐Wirth Lena , Iscen Aysenur , Hartenfels Jan , Kremer Kurt , Münch Jan , Synatschke Christopher V. , Weil Tanja 
Published: November 2023

AbstractRetroviral gene delivery is the key technique for in vitro and ex vivo gene therapy. However, inefficient virion‐cell attachment resulting in low gene transduction efficacy remains a major challenge in clinical applications. Adjuvants for ex vivo therapy settings need to increase transduction efficiency while being easily removed or degraded post‐transduction to prevent the risk of venous embolism after infusing the transduced cells back to the bloodstream of patients, yet no such peptide system have been reported thus far. In this study, peptide amphiphiles (PAs) with a hydrophobic fatty acid and a hydrophilic peptide moiety that reveal enhanced viral transduction efficiency are introduced. The PAs form β‐sheet‐rich fibrils that assemble into positively charged aggregates, promoting virus adhesion to the cell membrane. The block‐type amphiphilic sequence arrangement in the PAs ensures efficient cell‐virus interaction and biodegradability. Good biodegradability is observed for fibrils forming small aggregates and it is shown that via molecular dynamics simulations, the fibril‐fibril interactions of PAs are governed by fibril surface hydrophobicity. These findings establish PAs as additives in retroviral gene transfer, rivalling commercially available transduction enhancers in efficiency and degradability with promising translational options in clinical gene therapy applications.
Micro‐Vessels‐Like 3D Scaffolds for Studying the Proton Radiobiology of Glioblastoma‐Endothelial Cells Co‐Culture Models
Authors: Akolawala Qais , Keuning Floor , Rovituso Marta , van Burik Wouter , van der Wal Ernst , Versteeg Henri H. , Rondon Araci M. R. , Accardo Angelo 
Published: November 2023

AbstractGlioblastoma (GBM) is a devastating cancer of the brain with an extremely poor prognosis. While X‐ray radiotherapy and chemotherapy remain the current standard, proton beam therapy is an appealing alternative as protons can damage cancer cells while sparing the surrounding healthy tissue. However, the effects of protons on in vitro GBM models at the cellular level, especially when co‐cultured with endothelial cells, the building blocks of brain micro‐vessels, are still unexplored. In this work, novel 3D‐engineered scaffolds inspired by the geometry of brain microvasculature are designed, where GBM cells cluster and proliferate. The architectures are fabricated by two‐photon polymerization (2PP), pre‐cultured with endothelial cells (HUVECs), and then cultured with a human GBM cell line (U251). The micro‐vessel structures enable GBM in vivo‐like morphologies, and the results show a higher DNA double‐strand breakage in GBM monoculture samples when compared to the U251/HUVECs co‐culture, with cells in 2D featuring a larger number of DNA damage foci when compared to cells in 3D. The discrepancy in terms of proton radiation response indicates a difference in the radioresistance of the GBM cells mediated by the presence of HUVECs and the possible induction of stemness features that contribute to radioresistance and improved DNA repair.
Grain Engineering of Sb2S3 Thin Films to Enable Efficient Planar Solar Cells with High Open‐Circuit Voltage
Authors: Liu Xinnian , Cai Zhiyuan , Wan Lei , Xiao Peng , Che Bo , Yang Junjie , Niu Haihong , Wang Huan , Zhu Jun , Huang Yi‐Teng , Zhu Huimin , Zelewski Szymon J. , Chen Tao , Hoye Robert L. Z. , Zhou Ru 
Published: November 2023

AbstractSb2S3 is a promising environmentally friendly semiconductor for high performance solar cells. But, like many other polycrystalline materials, Sb2S3 is limited by nonradiative recombination and carrier scattering by grain boundaries (GBs). This work shows how the GB density in Sb2S3 films can be significantly reduced from 1068 ± 40 to 327 ± 23 nm µm−2 by incorporating an appropriate amount of Ce3+ into the precursor solution for Sb2S3 deposition. Through extensive characterization of structural, morphological, and optoelectronic properties, complemented with computations, it is revealed that a critical factor is the formation of an ultrathin Ce2S3 layer at the CdS/Sb2S3 interface, which can reduce the interfacial energy and increase the adhesion work between Sb2S3 and the substrate to encourage heterogeneous nucleation of Sb2S3, as well as promote lateral grain growth. Through reductions in nonradiative recombination at GBs and/or the CdS/Sb2S3 heterointerface, as well as improved charge‐carrier transport properties at the heterojunction, this work achieves high performance Sb2S3 solar cells with a power conversion efficiency reaching 7.66%. An impressive open‐circuit voltage (VOC) of 796 mV is achieved, which is the highest reported thus far for Sb2S3 solar cells. This work provides a strategy to simultaneously regulate the nucleation and growth of Sb2S3 absorber films for enhanced device performance.
Metal‐Phenolic Network with Pd Nanoparticle Nodes Synergizes Oxidase‐Like and Photothermal Properties to Eradicate Oral Polymicrobial Biofilm‐Associated Infections
Authors: Chen Lei , Peng Mengna , Li Huaping , Zhou Jianan , He Wei , Hu Rongdang , Ye Fangfu , Li Yuanfeng , Shi Linqi , Liu Yong 
Published: November 2023

AbstractDesigning an effective treatment strategy to combat oral diseases caused by complex polymicrobial biofilms remains a great challenge. Herein, a series of metal‐phenolic network with Pd nanoparticle nodes using polyphenols as stabilizers and reducing agents is constructed. Among them, sulfonated lignin‐Pd (SLS‐Pd) with ultrafine size palladium nanoparticles and broadband near infrared absorption exhibit excellent oxidase‐like activity and stable photothermal effect. In vitro experiments demonstrate that the superoxide radical generated by SLS‐Pd oxidase‐like activity exhibits selective antibacterial effects, while its photothermal effect induced hyperthermia exhibits potent antifungal properties. This difference is further elucidated by RNA‐sequencing analysis and all‐atom simulation. Moreover, the SLS‐Pd‐mediated synergistic antimicrobial system exhibits remarkable efficacy in combating various biofilms and polymicrobial biofilms. By establishing a root canal model and an oropharyngeal candidiasis model, the feasibility of the synergistic antimicrobial system in treating oral biofilm‐related infections is further validated. This system provides a promising therapeutic approach for polymicrobial biofilm‐associated infections in the oral cavity.
Identifying the Quantitative Relationship Between the Molecular Structure and the Horizontal Transition Dipole Orientation of TADF Emitters
Authors: Shi Yiming , Shi Haochen , Zhang Yu , Zang Xiaoyan , Zhao Ziming , Zhao Suling , Qiao Bo , Liang Zhiqin , Xu Zheng , Wang Lijuan , Song Dandan 
Published: November 2023

AbstractRealizing the horizontal orientation of molecular transition dipole moment (TDM) can greatly improve the out‐coupling efficiency and the resultant external quantum efficiency (EQE) of organic light‐emitting diodes (OLEDs). Herein, key parameters governing the horizontal TDM have been continuously explored. However, quantitatively identifying the key parameters from the molecular structure viewpoint is rather challenging due to the complexity of the influencing parameters. Here, by training the machine learning (ML) models using the experimental results, the quantitative relationship between the molecular structure and the horizontal TDM ratio (ϴ) of thermally activated delayed fluorescent (TADF) emitters in the host‐guest films is identified. The molecular structure is represented by either quantum chemistry‐calculated structural descriptors or topological/physical/chemical molecular descriptors. Key descriptors are ranked and can be used for guiding molecular structure design. Moreover, the accuracy of ML models is double‐verified by comparing the predicted results with experimental ϴ values and the trend of experimental EQE based on a group of materials. Using compressed sensing technology, the low‐dimension material space is also visually constructed based on key descriptors, and the results are consistent with those of the ML models.
Light‐Induced Nanoscale Deformation in Azobenzene Thin Film Triggers Rapid Intracellular Ca2+ Increase via Mechanosensitive Cation Channels
Authors: Peussa Heidi , Fedele Chiara , Tran Huy , Marttinen Mikael , Fadjukov Julia , Mäntylä Elina , Priimägi Arri , Nymark Soile , Ihalainen Teemu O. 
Published: November 2023

AbstractEpithelial cells are in continuous dynamic biochemical and physical interaction with their extracellular environment. Ultimately, this interplay guides fundamental physiological processes. In these interactions, cells generate fast local and global transients of Ca2+ ions, which act as key intracellular messengers. However, the mechanical triggers initiating these responses have remained unclear. Light‐responsive materials offer intriguing possibilities to dynamically modify the physical niche of the cells. Here, a light‐sensitive azobenzene‐based glassy material that can be micropatterned with visible light to undergo spatiotemporally controlled deformations is used. Real‐time monitoring of consequential rapid intracellular Ca2+ signals reveals that the mechanosensitive cation channel Piezo1 has a major role in generating the Ca2+ transients after nanoscale mechanical deformation of the cell culture substrate. Furthermore, the studies indicate that Piezo1 preferably responds to shear deformation at the cell‐material interphase rather than to absolute topographical change of the substrate. Finally, the experimentally verified computational model suggests that Na+ entering alongside Ca2+ through the mechanosensitive cation channels modulates the duration of Ca2+ transients, influencing differently the directly stimulated cells and their neighbors. This highlights the complexity of mechanical signaling in multicellular systems. These results give mechanistic understanding on how cells respond to rapid nanoscale material dynamics and deformations.
Clinically Translatable Solid‐State Dye for NIR‐II Imaging of Medical Devices
Authors: Li Deling , Shi Hui , Qi Qingrong , Chang Baisong , Jiang Yuanwen , Qian Kun , Guan Xiudong , Kang Peng , Ma Ning , Zhang Yuan , Zhang Zeyu , Shi Xiaojing , Qu Chunrong , Wu Yilei , Chen Weiyu , Chen Hao , Li Baowang , Chen Liangpeng , Li Ziyang , Ma Shunchang , Xu Lingyun , Zhang Yanrong , Tian Jie , Hu Zhenhua , Jia Wang , Cheng Zhen 
Published: November 2023

AbstractMedical devices are commonly implanted underneath the skin, but how to real‐time noninvasively monitor their migration, integrity, and biodegradation in human body is still a formidable challenge. Here, the study demonstrates that benzyl violet 4B (BV‐4B), a main component in the FDA‐approved surgical suture, is found to produce fluorescence signal in the first near‐infrared window (NIR‐I, 700–900 nm) in polar solutions, whereas BV‐4B self‐assembles into highly crystalline aggregates upon a formation of ultrasmall nanodots and can emit strong fluorescence in the second near‐infrared window (NIR‐II, 1000–1700 nm) with a dramatic bathochromic shift in the absorption spectrum of ≈200 nm. Intriguingly, BV‐4B‐involved suture knots underneath the skin can be facilely monitored during the whole degradation process in vivo, and the rupture of the customized BV‐4B‐coated silicone catheter is noninvasively diagnosed by NIR‐II imaging. Furthermore, BV‐4B suspended in embolization glue achieves hybrid fluorescence‐guided surgery (hybrid FGS) for arteriovenous malformation. As a proof‐of‐concept study, the solid‐state BV‐4B is successfully used for NIR‐II imaging of surgical sutures in operations of patients. Overall, as a clinically translatable solid‐state dye, BV‐4B can be applied for in vivo monitoring the fate of medical devices by NIR‐II imaging.
Hierarchically Porous and Minimally Stacked Graphene Cathodes for High‐Performance Lithium–Oxygen Batteries
Authors: Yu Wei , Shen Zhaohan , Yoshii Takeharu , Iwamura Shinichiroh , Ono Manai , Matsuda Shoichi , Aoki Makoto , Kondo Toshihiro , Mukai Shin R. , Nakanishi Shuji , Nishihara Hirotomo 
Published: November 2023

AbstractAlthough lithium–oxygen batteries have attracted attention due to their extremely high energy densities, rational design, and critical evaluation of high‐energy‐density cathode for practical Li–O2 batteries is still urgently needed. Herein, the multiscale, angstrom‐to‐millimeter, precisely controllable synthesis of binder‐free cathodes with minimally stacked graphene free from edge sites is demonstrated. The proposed Li–O2 battery, based on a hierarchically porous cathode with a practical mass loading of >4.0 mg cm−2, simultaneously exhibits an unprecedented specific areal (>30.0 mAh cm−2), mass (>6300 mAh g−1), and volumetric (>480 mAh cm−3) capacities. The battery displays the optimal energy density of 793 Wh kg−1 critically normalized to the total mass of all active materials including electrolytes and even discharge products Li2O2. Comprehensive in situ characterizations demonstrate a unique discharge mechanism in hierarchical pores which contributes to competitive battery performance. Superior rate performance in a current density range of 0.1 to 0.8 mA cm−2 and long‐cycle stability (>260 cycles) at a current density of 0.4 mA cm−2, outperforming state‐of‐the‐art carbon cathodes. This study yields insight into next‐generation carbon cathodes, not only for use in practical Li–O2 batteries, but also in other metal–gas batteries with high energy densities.
Reference evapotranspiration prediction using machine learning models: An empirical study from minimal climate data
Authors: Shaloo  , Kumar Bipin , Bisht Himani , Rajput Jitendra , Mishra Anil Kumar , TM Kiran Kumara , Brahmanand Pothula Srinivasa 
Published: November 2023

AbstractThe scarcity of climatic data is the biggest challenge for developing countries, and the development of models for reference evapotranspiration (ET0) estimation with limited datasets is crucial. Therefore, the current investigation assessed the efficacy of four machine learning (ML) models, namely, linear regression (LR), support vector machine (SVM), random forest (RF), and neural networks (NN), to predict ET0 based on minimal climate data in comparison with the standard FAO‐56 Penman‐Monteith (PM) method. The data on daily climate parameters were collected for the period 2000−2021, including maximum and minimum temperatures (Tmax and Tmin), mean relative humidity (RH), wind speed (WS), and sunshine hours (SSH). The performance of the developed models considering different input combinations was evaluated by using several statistical performance measures. The results showed that the SVM model performed better than the other ML models during training (R2 = 0.985; mean absolute error [MAE] = 0.170 mm/day; mean square error [MSE] = 0.052 mm/day; root mean square error [RMSE] = 0.229 mm/day; mean absolute percentage error [MAPE] = 5.72%) and testing stages (R2 = 0.985; MAE = 0.168 mm/day; MSE = 0.050 mm/day; RMSE = 0.224 mm/day; MAPE = 5.91%) under full dataset scenario. The best performance of the models to estimate was with Tmax, RH, Ws, SSH, and Tmin. The results of the current study are substantial as it offers an approach to estimate ET0 in semi‐arid data‐scarce region.
Rapid Polyolefin Hydrogenolysis by a Single‐Site Organo‐Tantalum Catalyst on a Super‐Acidic Support: Structure and Mechanism
Authors: Lai Qingheng , Mason Alexander H. , Agarwal Amol , Edenfield Wilson C. , Zhang Xinrui , Kobayashi Takeshi , Kratish Yosi , Marks Tobin J. 
Published: November 2023

AbstractThe novel electrophilic organo‐tantalum catalyst AlS/TaNpx (1) (Np=neopentyl) is prepared by chemisorption of the alkylidene Np3Ta=CHtBu onto highly Brønsted acidic sulfated alumina (AlS). The proposed catalyst structure is supported by EXAFS, XANES, ICP, DRIFTS, elemental analysis, and SSNMR measurements and is in good agreement with DFT analysis. Catalyst 1 is highly effective for the hydrogenolysis of diverse linear and branched hydrocarbons, ranging from C2 to polyolefins. To the best of our knowledge, 1 exhibits one of the highest polyolefin hydrogenolysis activities (9,800 (CH2 units) ⋅ mol(Ta)−1 ⋅ h−1 at 200 °C/17 atm H2) reported to date in the peer‐reviewed literature. Unlike the AlS/ZrNp2 analog, the Ta catalyst is more thermally stable and offers multiple potential C−C bond activation pathways. For hydrogenolysis, AlS/TaNpx is effective for a wide variety of pre‐ and post‐consumer polyolefin plastics and is not significantly deactivated by standard polyolefin additives at typical industrial concentrations.
Atomically Dispersed Iron Regulating Electronic Structure of Iron Atom Clusters for Electrocatalytic H2O2 Production and Biomass Upgrading
Authors: Xu Hui , Zhang Shengbo , Zhang Xinyuan , Xu Min , Han Miaomiao , Zheng Li Rong , Zhang Yunxia , Wang Guozhong , Zhang Haimin , Zhao Huijun 
Published: November 2023

AbstractThe integration of highly active single atoms (SAs) and atom clusters (ACs) into an electrocatalyst is critically important for high‐efficiency two‐electron oxygen reduction reaction (2e− ORR) to hydrogen peroxide (H2O2). Here we report a tandem impregnation‐pyrolysis‐etching strategy to fabricate the oxygen‐coordinated Fe SAs and ACs anchored on bacterial cellulose‐derived carbon (BCC) (FeSAs/ACs‐BCC). As the electrocatalyst, FeSAs/ACs‐BCC exhibits superior electrocatalytic activity and selectivity toward 2e− ORR, affording an onset potential of 0.78 V (vs. RHE) and a high H2O2 selectivity of 96.5 % in 0.1 M KOH. In a flow cell reactor, the FeSAs/ACs‐BCC also achieves high‐efficiency H2O2 production with a yield rate of 12.51±0.18 mol gcat−1 h−1 and a faradaic efficiency of 89.4 %±1.3 % at 150 mA cm−2. Additionally, the feasibility of coupling the produced H2O2 and electro‐Fenton process for the valorization of ethylene glycol was explored in detail. The theoretical calculations uncover that the oxygen‐coordinated Fe SAs effectively regulate the electronic structure of Fe ACs which are the 2e− ORR active sites, resulting in the optimal binding strength of *OOH intermediate for high‐efficiency H2O2 production.
Chiral Gold Nanorods with Five‐Fold Rotational Symmetry and Orientation‐Dependent Chiroptical Properties of Their Monomers and Dimers
Authors: Zhang Lingling , Chen Yilin , Zheng Jiapeng , Lewis George R. , Xia Xinyue , Ringe Emilie , Zhang Wei , Wang Jianfang 
Published: November 2023

AbstractChiral plasmonic nanoparticles have attracted much attention because of their strong chiroptical responses and broad scientific applications. However, the types of chiral plasmonic nanoparticles have remained limited. Herein we report on a new type of chiral nanoparticle, chiral Au nanorod (NR) with five‐fold rotational symmetry, which is synthesized using chiral molecules. Three different types of Au seeds (Au elongated nanodecahedrons, nanodecahedrons, and nanobipyramids) are used to study the growth behaviors. Different synthesis parameters, including the chiral molecules, surfactant, reductant, seeds, and Au precursor, are systematically varied to optimize the chiroptical responses of the chiral Au NRs. The chiral scattering measurements on the individual chiral Au NRs and their dimers are performed. Intriguingly, the chiroptical signals of the individual chiral Au NRs and their end‐to‐end dimers are similar, while those of the side‐by‐side dimers are largely reduced. Theoretical calculations and numerical simulations reveal that the different chiroptical responses of the chiral NR dimers are originated from the coupling effect between the plasmon resonance modes. Our study enriches chiral plasmonic nanoparticles and provides valuable insight for the design of plasmonic nanostructures with desired chiroptical properties.
Production of Biobased Ethylbenzene by Cascade Biocatalysis with an Engineered Photodecarboxylase
Authors: Qin Zhaoyang , Zhou Yi , Li Zhi , Höhne Matthias , Bornscheuer Uwe T. , Wu Shuke 
Published: November 2023

AbstractProduction of commodity chemicals, such as benzene, toluene, ethylbenzene, and xylenes (BTEX), from renewable resources is key for a sustainable society. Biocatalysis enables one‐pot multistep transformation of bioresources under mild conditions, yet it is often limited to biochemicals. Herein, we developed a non‐natural three‐enzyme cascade for one‐pot conversion of biobased l‐phenylalanine into ethylbenzene. The key rate‐limiting photodecarboxylase was subjected to structure‐guided semirational engineering, and a triple mutant CvFAP(Y466T/P460A/G462I) was obtained with a 6.3‐fold higher productivity. With this improved photodecarboxylase, an optimized two‐cell sequential process was developed to convert l‐phenylalanine into ethylbenzene with 82 % conversion. The cascade reaction was integrated with fermentation to achieve the one‐pot bioproduction of ethylbenzene from biobased glycerol, demonstrating the potential of cascade biocatalysis plus enzyme engineering for the production of biobased commodity chemicals.