bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of a standalone delivery sequence model for proton arc therapy
Authors: Liu Gang , Zhao Lewei , Liu Peilin , Yan Di , Deraniyagala Rohan , Stevens Craig , Li Xiaoqiang , Ding Xuanfeng 
Published: December 2023

AbstractBackgroundSpot‐scanning proton arc (SPArc) has been drawing significant interests in recent years because of its capability of continuous proton irradiation during the gantry rotation. Previous studies demonstrated SPArc plans were delivered on a prototype of the DynamicARC solution, IBA ProteusONE.PurposeWe built a novel delivery sequence model through an independent experimental approach: the first SPArc delivery sequence model (DSMSPArc). Based on the model, we investigated SPArc treatment efficiency improvement in the routine proton clinical operation.MethodsSPArc test plans were generated and delivered on a prototype of the DynamicARC solution, IBA ProteusONE. An independent gantry inclinometer and the machine logfiles were used to derive the DSMSPArc. Seventeen SPArc plans were used to validate the model's accuracy independently. Two random clinical operation dates (6th January and 22nd March, 2021) from a single‐room proton therapy center (PTC) were selected to quantitatively assess the improvement of treatment efficiency compared to the IMPT.ResultsThe difference between the logfile and DSMSPArc is about 3.2 ± 4.8%. SPArc reduced 58.1% of the average treatment delivery time per patient compared to IMPT (p < 0.01). Daily treatment throughput could be increased by 30% using SPArc using a single‐room proton therapy system.ConclusionsThe first model of dynamic arc therapy is established in this study through an independent experimental approach using logfiles and measurements which allows clinical users and investigators to simulate the dynamic treatment delivery and assess the daily treatment throughput improvement.
New insights on the layer uniformity of multilayered films produced by coextrusion with interfacial surface generators
Authors: Martins Marcelo Matos , Javadi Sara , Covas José António , Carneiro Olga Sousa , Nóbrega João Miguel 
Published: December 2023

AbstractPolymer coextrusion is a manufacturing process whereby at least two polymer melts feed a die to form an extrudate made up of different layers, typically up to 12, to achieve a better product performance. Extruded films with hundreds or thousands of layers can be produced by using sequences of layer multipliers, also known as interfacial surface generators (ISG), at the die inlet. Each ISG splits, stacks, and merges the flow by means of various geometrical channel transformations (GT), in such a way that the number of layers at the outlet is doubled. However, in practice, the thicknesses of the individual layers generated after each transformation are often non‐uniform. This work deals with the numerical simulation of multilayer co‐extrusion of Newtonian polymer melts, aiming at providing new insights on the influence of the ISG geometry on the layer uniformity. It was found that depending on the combination of GT taking place, uneven layers may form due to the development of unsymmetrical velocity profiles along the direction perpendicular to the fluid interface. From this information, improved ISG dies, capable of producing coextruded films with uniform layer distribution, are proposed and assessed numerically.Highlights
The polymer coextrusion process produces multilayer products.
Extruded films can be produced using Interfacial surface generators (ISG).
Polymers flow through ISG by several channel geometric transformations (GTs).
Polymer melts flow through ISG undergoing various channel geometric transformations (GTs).
Non‐uniform layers can be generated in the ISG.
ISG performance can be improved when GTs are thoughtfully combined.
Piezoelectric approaches to organic polymeric materials
Authors: Ali Mark Rigel R , Tigno Szeemaine D , Caldona Eugene B 
Published: December 2023

AbstractPiezoelectricity refers to the ability of certain materials to generate electric charges when subjected to mechanical stress or strain, and vice versa. This phenomenon has been widely studied in inorganic materials, such as quartz and ceramics, and has found numerous applications in sensing, actuation, and energy harvesting. There has been a growing interest in piezoelectricity for polymeric materials that are lightweight, flexible, and highly processable for a wide range of applications, including sensors for environmental and biomedical monitoring, energy conversion from mechanical vibrations, and actuation in soft robotics. However, characterizing the piezoelectric tendency of polymeric materials tends to be a complex and challenging process, as the effect is often weak and dependent upon various factors including material structure, processing conditions, and measurement setup. While many past and current review articles have covered theories and principles associated with piezoelectric polymers to some extent, detailed information on the corresponding experimental techniques used to measure their piezoelectric properties remains limited. This mini‐review paper aims to consolidate and summarize various approaches, including quasi‐static methods, optical interferometry, dielectric spectroscopy, and piezoelectric force microscopy, and to provide insights into the principles, advantages, limitations, and challenges associated with these techniques. © 2023 Society of Industrial Chemistry.
Proteome of spores from biological indicators in sterilization processes: Bacillus pumilus and Bacillus atrophaeus
Authors: Dorbani Imed , Armengaud Jean , Carlin Frédéric , Duport Catherine 
Published: December 2023

AbstractBacillus atrophaeus and Bacillus pumilus spores are widely used as biological indicators to assess the effectiveness of decontamination procedures. Spores are intricate, multi‐layered cellular structures primarily composed of proteins, which significantly contribute to their extreme resistance. Therefore, conducting a comprehensive proteome analysis of spores is crucial to identify the specific proteins conferring spore resistance. Here, we employed a high‐throughput shotgun proteomic approach to compare the spore proteomes of B. atrophaeus DSM675 and B. pumilus DSM492, identifying 1312 and 1264 proteins, respectively. While the overall number of proteins found in both strains is roughly equivalent, a closer examination of a subset of 54 spore‐specific proteins revealed noteworthy distinctions. Among these 54 proteins, 23 were exclusively detected in one strain, while others were shared between both. Notably, of the 31 proteins detected in both strains, 10 exhibited differential abundance levels, including key coat layer morphogenetic proteins. The exploration of these 54 proteins, considering their presence, absence, and differential abundance, provides a unique molecular signature that may elucidate the differences in sensitivity/resistance profiles between the two strains.
Structural and time‐resolved mechanistic investigations of protein hydrolysis by the acidic proline‐specific endoprotease from Aspergillus niger
Authors: Pijning Tjaard , Vujičić‐Žagar Andreja , van der Laan Jan‐Metske , de Jong René M. , Ramirez‐Palacios Carlos , Vente Andre , Edens Luppo , Dijkstra Bauke W. 
Published: December 2023

AbstractProline‐specific endoproteases have been successfully used in, for example, the in‐situ degradation of gluten, the hydrolysis of bitter peptides, the reduction of haze during beer production, and the generation of peptides for mass spectroscopy and proteomics applications. Here we present the crystal structure of the extracellular proline‐specific endoprotease from Aspergillus niger (AnPEP), a member of the S28 peptidase family with rarely observed true proline‐specific endoprotease activity. Family S28 proteases have a conventional Ser‐Asp‐His catalytic triad, but their oxyanion‐stabilizing hole shows a glutamic acid, an amino acid not previously observed in this role. Since these enzymes have an acidic pH optimum, the presence of a glutamic acid in the oxyanion hole may confine their activity to an acidic pH. Yet, considering the presence of the conventional catalytic triad, it is remarkable that the A. niger enzyme remains active down to pH 1.5. The determination of the primary cleavage site of cytochrome c along with molecular dynamics‐assisted docking studies indicate that the active site pocket of AnPEP can accommodate a reverse turn of approximately 12 amino acids with proline at the S1 specificity pocket. Comparison with the structures of two S28‐proline‐specific exopeptidases reveals not only a more spacious active site cavity but also the absence of any putative binding sites for amino‐ and carboxyl‐terminal residues as observed in the exopeptidases, explaining AnPEP's observed endoprotease activity.
A naturally occurring G11S mutation in the 3C‐like protease from the SARS‐CoV‐2 virus dramatically weakens the dimer interface
Authors: Wang Guanyu , Venegas Felipe A. , Rueda Andres M. , Weerasinghe Nuwani W. , Uggowitzer Kevin A. , Thibodeaux Christopher J. , Moitessier Nicolas , Mittermaier Anthony K. 
Published: December 2023

AbstractThe 3C‐like protease (3CLpro) is crucial to the replication of SARS‐CoV‐2, the causative agent of COVID‐19, and is the target of several successful drugs including Paxlovid and Xocova. Nevertheless, the emergence of viral resistance underlines the need for alternative drug strategies. 3CLpro only functions as a homodimer, making the protein–protein interface an attractive drug target. Dimerization is partly mediated by a conserved glycine at position 11. However, some naturally occurring SARS‐CoV‐2 sequences contain a serine at this position, potentially disrupting the dimer. We have used concentration‐dependent activity assays and mass spectrometry to show that indeed the G11S mutation reduces the stability of the dimer by 600‐fold. This helps to set a quantitative benchmark for the minimum potency required of any future protein–protein interaction inhibitors targeting 3CLpro and raises interesting questions regarding how coronaviruses bearing such weakly dimerizing 3CLpro enzymes are capable of replication.
The predatory mite Pronematus ubiquitus curbs Aculops lycopersici damage under greenhouse conditions
Authors: Maret Dylan , Wäckers Felix , Pijnakker Juliette , Norgrove Lindsey , Sutter Louis 
Published: December 2023

AbstractBackgroundThe tomato russet mite, Aculops lycopersici, is a major worldwide pest infesting tomato crops for which only few control methods are available. At present, no commercialized beneficial organism has proven to be an effective biological control agent of the pest. As there is a strong need to develop alternatives to synthetic insecticides, we assessed the efficacy of an iolinid mite, Pronematus ubiquitus, as a preventive method against A. lycopersici in comparison with a curative treatment in a replicated experiment in the greenhouse.ResultsAfter pre‐establishment of P. ubiquitus supplied with cattail pollen, followed by infestation of A. lycopersici, the predator was able to reduce pest populations by 98% as compared with control plants. Probably due to lack of food and high temperature, the number of P. ubiquitus decreased during the season and so the Eriophyid population rose, along with crop damage. The sulphur treatment could stop the progress of A. lycopersici, but their population levels remained high.ConclusionPronematus ubiquitus has great potential to prevent the establishment of the tomato russet mite. Even if a curative treatment affects the pest mite, the use of a preventive method is preferable as such insecticides/acaricides are harmful for beneficials and are applied after symptom appearance, when the pest pressure is already high. Despite the need to optimise management of the predator throughout the season, P. ubiquitus proved to be able to establish successfully on tomato plants. © 2023 Society of Chemical Industry.
Trans‐abdominal single‐incision robotic surgery with the da Vinci SP® surgical system for 8 cases of retrorectal tumour
Authors: Kim Ho Seung , Oh Bo‐Young , Chung Soon Sup , Lee Ryung‐Ah , Noh Gyoung Tae 
Published: December 2023

AbstractBackgroundThis study aimed to evaluate transabdominal single‐incision robotic surgery using the da Vinci SP (dVSP, Intuitive Surgical, Sunnyvale, CA, USA) surgical system for retrorectal tumours.MethodsEight patients who underwent surgical excision of retrorectal tumours using the dVSP surgical system were retrospectively analysed.ResultsFive patients (62.5%) had tumours positioned above the levator ani muscle, two (25.0%) had that extending across the levator ani muscle, and one (12.5%) had that located below the levator ani muscle. All surgical procedures were successfully completed without any intraoperative complications. The median operative, docking, and console times were 198, 6, and 145 min, respectively. Two patients (25.0%) experienced postoperative complications classified as Clavien‐Dindo grade II. The median duration of follow‐up was 6.5 months, and no recurrence was observed.ConclusionsIn our early experience of eight patients, retrorectal tumours can be safely excised with the dVSP surgical system, even at very low tumour levels.
Phase‐Segregated Ductile Eutectogels with Ultrahigh Modulus and Toughness for Antidamaging Fabric Perception
Authors: Zhang Dengfeng , Li Xiujuan , Li Junyue , Wang Qiye , Dong Xuemei , Wu Yueyue , Li Zifan , Xie Xinyi , Liu Zhengdong , Xiu Fei , Huang Wei , Liu Juqing 
Published: December 2023

AbstractIonogels are extremely soft ionic materials that can undergo large deformation while maintaining their structural and functional integrity. Ductile ionogels can absorb energy and resist fracture under external load, making them an ideal candidate for wearable electronics, soft robotics, and protective gear. However, developing high‐modulus ionogels with extreme toughness remains challenging. Here, a facile one‐step photopolymerization approach to construct an acrylic acid (AA)‐2‐hydroxyethylacrylate (HEA)‐choline chloride (ChCl) eutectogel (AHCE) with ultrahigh modulus and toughness is reported. With rich hydrogen bonding crosslinks and phase segregation, this gel has a 99.1 MPa Young's modulus and a 70.6 MJ m−3 toughness along with 511.4% elongation, which can lift 12 000 times its weight. These features provide extreme damage resistance and electrical healing ability, offering it a protective and strain‐sensitive coating to innovate anticutting fabric with motion detection for human healthcare. The work provides an effective strategy to construct robust ionogel materials and smart wearable electronics for intelligent life.
Tuning Proton Insertion Chemistry for Sustainable Aqueous Zinc‐Ion Batteries
Authors: Nam Gyutae , Hwang Chihyun , Jang Haeseong , Kane Nicholas , Ahn Yoojin , Kwak Myung‐Jun , Luo Zheyu , Li Tongtong , Kim Min‐Gyu , Liu Nian , Liu Meilin 
Published: December 2023

AbstractRechargeable aqueous zinc‐ion batteries (ZIBs) have emerged as an alternative to lithium‐ion batteries due to their affordability and high level of safety. However, their commercialization is hindered by the low mass loading and irreversible structural changes of the cathode materials during cycling. Here, a disordered phase of a manganese nickel cobalt dioxide cathode material derived from wastewater via a coprecipitation process is reported. When used as the cathode for aqueous ZIBs , the developed electrode delivers 98% capacity retention at a current density of 0.1 A g−1 and 72% capacity retention at 1 A g−1 while maintaining high mass loading (15 mg cm−2). The high performance is attributed to the structural stability of the Co and Ni codoped phase; the dopants effectively suppress Jahn–Teller distortion of the manganese dioxide during cycling, as revealed by operando X‐ray absorption spectroscopy. Also, it is found that the Co and Ni co‐doped phase effectively inhibits the dissolution of Mn2+, resulting in enhanced durability without capacity decay at first 20 cycles. Further, it is found that the performance of the electrode is sensitive to the ratio of Ni to Co, providing important insight into rational design of more efficient cathode materials for low‐cost, sustainable, rechargeable aqueous ZIBs.
Pt‐Clusters‐Equipped Antioxidase‐Like Biocatalysts as Efficient ROS Scavengers for Treating Periodontitis
Authors: Zhang Chenxi , Yan Rui , Bai Mingru , Sun Yimin , Han Xianglong , Cheng Chong , Ye Ling 
Published: December 2023

AbstractDeveloping high‐efficiency artificial biocatalysts for scavenging reactive oxygen species (ROS) is critical for treating inflammation diseases and promoting tissue regeneration. By mimicking the active sites in catalase, here, a Pt‐clusters‐equipped antioxidase‐like biocatalysts (Pt─CN) with superior catalytic abilities for stem cell protection and periodontitis treatment are reported. Owing to the excellent effects of multiple Pt clusters, Pt─CN yields exceptional catalytic ROS‐scavenging activities for multiple types of ROS. In vitro studies show that Pt─CN can effectively protect stem cell survival, adhesion, and differentiation in a high ROS levels microenvironment. Additionally, Pt─CN can reduce the M1/M2 ratio of macrophages when stimulated by lipopolysaccharide. In vivo treatment of mouse periodontitis further confirms the protection against bone loss and reduction in the inflammatory response. This study provides a basis for the application of biocatalysts with Pt catalytic center in macrophage polarization, stem cell protection, and periodontitis treatment, thus offering a new strategy for the design of high‐performance artificial biocatalysts.
Boosting Cu─In─Zn─S‐based Quantum‐Dot Light‐Emitting Diodes Enabled by Engineering Cu─NiOx/PEDOT:PSS Bilayered Hole‐Injection Layer
Authors: Zhao Jinxing , Chen Fei , Jia Haoran , Wang Lijin , Liu Ping , Luo Tao , Guan Li , Li Xu , Yin Zhe , Tang Aiwei 
Published: December 2023

AbstractThe imbalance of charge injection is considered to be a major factor that limits the device performance of cadmium‐free quantum‐dot light‐emitting diodes (QLEDs). In this work, high‐performance cadmium‐free Cu─In─Zn─S(CIZS)‐based QLEDs are designed and fabricated through tailoring interfacial energy level alignment and improving the balance of charge injection. This is achieved by introducing a bilayered hole‐injection layer (HIL) of Cu‐doped NiOx (Cu─NiOx)/Poly(3,4‐ethylenedioxythiophene): poly (styrene sulfonate) (PEDOT:PSS). High‐quality Cu─NiOx film is prepared through a novel and straightforward sol–gel procedure. Multiple experimental characterizations and theoretical calculations show that the incorporation of Cu2+ ions can regulate the energy level structure of NiOx and enhance the hole mobility. The state‐of‐art CIZS‐based QLEDs with Cu─NiOx/PEDOT:PSS bilayered HIL exhibit the maximum external quantum efficiency of 6.04% and half‐life time of 48 min, which is 1.3 times and four times of the device with only PEDOT:PSS HIL. The work provides a new pathway for developing high‐performance cadmium‐free QLEDs.
Synthesis of Conductive MOFs and Their Electrochemical Application
Authors: Wu Chunsheng , Geng Pengbiao , Zhang Guangxun , Li Xinran , Pang Huan 
Published: December 2023

AbstractConductive metal–organic frameworks (MOFs) are a type of porous material. It consists of metal ions coordinated with highly conjugated organic ligands. The high density of carriers and orbital overlap contribute to the amazing conductivity. Additionally, conductive MOFs inherit the advantages of large specific surface area, structural diversity, and adjustable pore size from MOFs. These excellent properties have attracted many researchers to explore controllable synthesis and electrochemical applications over the past decade. This work provides an overview of the recent advances in the synthesis strategies of conductive MOFs and highlights their applications in electrocatalysis, supercapacitors, sensors, and batteries. Finally, the challenges faced by the synthesis and application of conductive MOFs are discussed, as well as the views on promising solutions for them are presented.
Small Molecule Donors Design Rules for Non‐Halogen Solvent Fabricated Organic Solar Cells
Authors: Ma Xiaoming , Wang Caixuan , Deng Dan , Zhang Hao , Zhang Lili , Zhang Jianqi , Yang Yuping , Wei Zhixiang 
Published: December 2023

AbstractCompared with all‐small‐molecule (ASM) and other types of organic solar cells (OSCs), the small molecule donor:polymer acceptor (SMD:PA) OSCs develop much slower due to the lack of material matching rules. Herein, by changing the end‐cap substituent of the small molecule donor from ethyl (MPhS‐C2) to benzyl (MPhS‐Ph), the different selection rules of donor properties and thermal annealing (TA) treatment between the ASM and the SMD:PA system under tetrahydrofuran processing are thoroughly investigated. Therefore, MPhS‐Ph exhibits more ordered molecular packing, leading to better adaptability in the SMD:PA system without TA; while the inferior molecular packing of MPhS‐C2 after spin‐coating performs better in the ASM system with TA. Whether spin‐coating or TA process dominates morphological optimization also dominates their energy loss. Therefore, the MPhS‐Ph:PYF‐T‐o and MPhS‐C2:BTP‐eC9 based devices achieve the highest power conversion efficiency (PCE) of 12.1% and 15.7%, respectively, both of which are cutting‐edge PCEs in their own type of OSCs fabricated by non‐halogen solvent. This result suggests that intrinsic strong crystallization independent of the thermal drive is hoped in SMD:PA‐OSCs, while high miscibility after spin‐coating and proper assembly under thermal drive is expected in ASM‐OSCs, providing deep understanding and guidance in highly efficient materials design rules in both ASM‐OSCs and SMD:PA‐OSCs.
Effect of Selective Metallic Defects on Catalytic Performance of Alloy Nanosheets
Authors: Mahmood Azhar , He Dequan , Liu Chuhao , Talib Shamraiz Hussain , Zhao Bolin , Liu Tianren , He Ying , Song Zhongqian , Chen Lijuan , Han Dongxue , Niu Li 
Published: December 2023

AbstractDefects in the crystal structure of nanomaterials are important for their diverse applications. As, defects in 2D framework allow surface confinement effects, efficient molecular accessibility, high surface‐area to volume‐ratio and lead to higher catalytic activity, but it is challenging to expose defects of specific metal on the surface of 2D alloy and find the correlation between defective structure and electrocatalytic properties with atomic precision. Herein, the work paves the way for the controlled synthesis of ultrathin porous Ir–Cu nanosheets (NSs) with selectively iridium (Ir) rich defects to boost their performance for acidic oxygen evolution reaction (OER). X‐ray absorption spectroscopy reveals that the oxidized states of Ir in defects of porous NSs significantly impact the electronic structure and decline the energy barrier. As a result, porous Ir–Cu/C NSs deliver improved OER activity with an overpotential of 237 mV for reaching 10 mA cm−2 and exhibit significantly higher mass activity than benchmark Ir/C under acidic conditions. Therefore, the present work highlights the concept of constructing a selective noble metal defect‐rich open structure for catalytic applications.