bluuebunny/crossref_metadata_2025_split huggingface dataset:
Beginner's Guide to Visual Analysis of Perovskite and Organic Solar Cell Current Density–Voltage Characteristics
Authors: These Albert , Koster L. Jan Anton , Brabec Christoph J. , Le Corre Vincent M. 
Published: April 2024

AbstractThe current density–voltage characteristic (J–V) is a critical tool for understanding the behavior of solar cells. This study presents an overview of the key aspects of J–V analysis and introduces a user‐friendly flowchart that facilitates the swift identification of the most probable limiting process in a solar cell, based mainly on the outcomes of light‐intensity‐dependent J–V measurements. The flowchart is developed through extensive drift‐diffusion simulations and a rigorous review of the literature, with a specific focus on perovskite and organic solar cells. Moreover, the flowchart proposes supplementary experiments that can be conducted to obtain a more precise prediction of the primary performance losses. It therefore serves as an optimal starting point to analyse performance losses of solar cells.
Interfacial Modification of NiOx for Highly Efficient and Stable Inverted Perovskite Solar Cells
Authors: Zhou Yu , Huang Xiaozhen , Zhang Jinsen , Zhang Lin , Wu Haotian , Zhou Ying , Wang Yao , Wang Yang , Fu Weifei , Chen Hongzheng 
Published: April 2024

AbstractNickel oxide is one of the most promising hole‐transporting materials in inverted perovskite solar cells (PSCs) but suffers from undesired reactions with perovskite which leads to limited device performance and stability. Self‐assembled monolayers (SAMs) are demonstrated to effectively optimize the NiOx/perovskite interface, but the significance of the compactness of the SAM at the interface is less investigated. Here, a series of methoxy‐substituted triphenylamine functionalized benzothiadiazole (TBT) based SAM molecules, TBT‐BA, TBT‐FBA, and TBT‐DBA, with benzoic acid, 2‐fluorobenzoic acid and isophthalic acids as anchoring groups are used to modify NiOx. TBT‐BA with the simplest structure is demonstrated to form the densest SAM on NiOx, thus optimized NiOx/SAM/perovskite interface is achieved with enhanced charge collection and suppressed interfacial reaction and recombination. TBT‐BA can also passivate the perovskite most effectively due to the highest binding energy toward perovskite, thus the corresponding inverted PSCs show the highest PCE of 24.8% and maintain 88.7% of the initial PCE after storage at 60 °C for 2635 h in the glovebox. The work provides important insights into designing SAM molecules for modification transporting layers for efficient and stable PSCs.
Quality by design of solid‐phase peptide/protein coupling reaction via mechanistic reaction kinetics modeling approach
Authors: Wang Jingyao , Agrawal Paridhi , Berglund Mark R. , Groh Jennifer McClary , Kopach Michael E. , Seibert Kevin D. , Viswanath Shekhar K. 
Published: April 2024

AbstractThe peptide coupling reaction is one of the most critical steps in the solid phase synthesis of therapeutic peptides/proteins. Improper reaction conditions can result in several common impurities such as single amino acid deletions, additions, N‐terminus modifications, and D‐isomers, all while potentially impacting the active pharmaceutical ingredient critical quality attributes. In this work, we developed a first‐principle mechanistic reaction kinetics model for the solid‐phase peptide/protein coupling reaction based on well‐established reaction mechanisms and experimental data from literature. Utilizing the reaction kinetics model, we present a systematic, quality by design approach for the coupling reaction control strategy. Critical process parameters are identified via univariate analysis and the design space is designated via multivariate risk assessment. The presented approach provides a novel solution for designing solid‐phase peptide/protein synthesis control strategies and identifying normal operating ranges for each process parameter, as well as the associated design space.
Insights into reaction–diffusion behaviors of acetylene selective hydrogenation on pellet catalysts
Authors: Shi Yao , Sui Yanan , Cao Yueqiang , Ge Xiaohu , Liu Xiangkun , Li Hongyu , Chen Wenyao , Qian Gang , Zhou Xinggui , Duan Xuezhi 
Published: April 2024

AbstractIn this work, a particle‐resolved computational fluid dynamics model of the acetylene hydrogenation process is developed to investigate the effects of catalyst particle structures on the reaction–diffusion behaviors aiming to improve selectivity toward target ethylene. The effects of packing structures on mass and heat transfer are explored by employing particles with varying shapes, wall thicknesses, and external diameters. The simulation results reveal that decreasing diffusion paths and elevating reactor bed temperature will enhance ethylene selectivity, and cylinder and Raschig ring packing structures exhibit the lowest and highest ethylene selectivity of 35.6% and 48.9% at 70% of acetylene conversion, respectively. Reducing wall thicknesses of Raschig ring particles facilitates the diffusion of generated ethylene from the interior zone of catalysts but concurrently inhibits the conversion of acetylene to ethylene. The Raschig ring catalyst particle with 1.9 mm of wall thickness and 3.5 mm of external diameter is finally revealed to exhibit the highest ethylene selectivity.
Independent risk factors predicting eradication failure of standard bismuth quadruple therapy for the first‐line treatment of Helicobacter pylori infection in Taiwan
Authors: Shie Chang‐Bih , Tsay Feng‐Woei , Wu Deng‐Chyang , Kao Sung‐Shuo , Chen Yan‐Hua , Tsai Kun‐Feng , Huang Wen‐Wei , Tang Sheng‐Yeh , Kuo Li‐Fu , Wu I‐Ting , Hsu Ping‐I 
Published: April 2024

AbstractBismuth quadruple therapy is recommended as the choice treatment for Helicobacter pylori (H. pylori) infection in areas of either low or high clarithromycin resistance in the Maastricht VI/Florence Consensus Report. However, the optimal treatment duration and drug dosages of bismuth quadruple therapy remain unclear. The study aimed to search the independent risk factors predicting eradication failure of standard bismuth quadruple therapy in the first‐line treatment of H. pylori infection. From July 2014 to June 2022, 274 H. pylori‐infected patients who received 10‐day or 14‐day bismuth quadruple therapy containing a proton pump inhibitor, bismuth, tetracycline and metronidazole were included for the study. Post‐treatment H. pylori status was assessed at least 4 weeks after completion of treatment. The relationships between eradication rate and 13 clinical parameters were analyzed by univariate and multivariate analyses. The eradication rates of standard bismuth quadruple therapy were 93.8% and 94.2% by intention‐to‐treat and per‐protocol analyses, respectively. Univariate analysis revealed that patients harboring metronidazole‐resistant strains had a lower eradication rate than those harboring metronidazole‐susceptible strains (88.7% [55/62] vs. 96.7% [148/153]). The other factors including smoking, treatment duration and drug adherence were not significantly associated with cure rate. Multivariate analysis revealed that metronidazole resistance of H. pylori was the only independent risk factors related to eradication failure of standard bismuth quadruple therapy with an odds ratio of 3.8 (95% CI: 1.2–12.4). In conclusion, metronidazole resistance is an independent risk factor predicting eradication failure of standard bismuth quadruple therapy in the first‐line treatment of H. pylori infection. There is no difference in eradication efficacy between 10‐day and 14‐day bismuth quadruple therapies in Taiwan.
Regulating the Topology of Covalent Organic Frameworks for Boosting Overall H2O2 Photogeneration
Authors: Yue Jie‐Yu , Luo Jing‐Xian , Pan Zi‐Xian , Zhang Rui‐Zhi , Yang Peng , Xu Qing , Tang Bo 
Published: April 2024

AbstractPhotocatalytic oxygen reduction reactions and water oxidation reactions are extremely promising green approaches for massive H2O2 production. Nonetheless, constructing effective photocatalysts for H2O2 generation is critical and still challenging. Since the network topology has significant impacts on the electronic properties of two dimensional (2D) polymers, herein, for the first time, we regulated the H2O2 photosynthetic activity of 2D covalent organic frameworks (COFs) by topology. Through designing the linking sites of the monomers, we synthesized a pair of novel COFs with similar chemical components on the backbones but distinct topologies. Without sacrificial agents, TBD‐COF with cpt topology exhibited superior H2O2 photoproduction performance (6085 and 5448 μmol g−1 h−1 in O2 and air) than TBC‐COF with hcb topology through the O2‐O2⋅−‐H2O2, O2‐O2⋅−‐O21‐H2O2, and H2O‐H2O2 three paths. Further experimental and theoretical investigations confirmed that during the H2O2 photosynthetic process, the charge carrier separation efficiency, O2⋅− generation and conversion, and the energy barrier of the rate determination steps in the three channels, related to the formation of *OOH, *O21, and *OH, can be well tuned by the topology of COFs. The current study enlightens the fabrication of high‐performance photocatalysts for H2O2 production by topological structure modulation.
Der Fernsehturm des Senders Berus in Überherrn – Bauforschung an einem Ingenieurbauwerk der Hochmoderne
Authors: Koch Nikolaus , Duppel Christoph 
Published: April 2024

AbstractDas Wissen über Planungs‐ und Ausführungsprozesse auf der Grundlage einer historischen Bauforschung stellt bei Betonbauwerken der Hochmoderne einen Zugewinn im Forschungsfeld der Bautechnikgeschichte dar und bildet darüber hinaus die Grundlage für sensible und denkmalgerechte Instandsetzungsmaßnahmen. Insbesondere die Bestimmung bauzeitlicher Betonoberflächen bzw. späterer Reparaturmaßnahmen ist hierbei maßgeblich. Der im Jahr 1954 erbaute, avantgardistisch anmutende Sendeturm des Senders Berus in Überherrn ist einer der ersten Fernsehtürme in Deutschland. Die Sichtbetonoberfläche der drei Betonpfeiler mit ihren Schalbrettabdrücken ist in großen Teilen erhalten. Im Rahmen der historischen Bauforschung wurde mithilfe neuartiger hochpräziser Aufnahmemethoden eine verformungsgerechte und detaillierte Bauaufnahme erstellt, die unter verschiedenen Gesichtspunkten ausgewertet und mit zur Bauzeit üblichen Handwerkstechniken abgeglichen wurde, auch unter der Fragestellung, welche Erkenntnisse zutage treten, wenn das Bauwerk selbst als Quelle betrachtet wird. Insgesamt zeichnet der Aufsatz ein umfassendes Bild zur Konstruktion und Konstruktionsgeschichte eines Bauwerks, das zusammen mit der als „Wahrzeichen der Ingenieurbaukunst“ ausgezeichneten Sendehalle eine gelungene architektonische und ingenieurtechnische Gesamtkomposition bildet. Gleichzeitig zielen die beschriebenen Herangehensweisen und Methoden auf eine Übertragung und künftige Anwendung bei vergleichbaren Betonbauwerken ab.
Messmodelle im Ingenieurbauwesen. Eine Bilanz
Authors: Schmid Benjamin , Wenzel Baris , Weber Christiane , Möller Eberhard , Putz Andreas , Stöber Mareike 
Published: April 2024

AbstractDas Forschungsprojekt „‚Die letzten Zeugen‘ Messmodelle im Ingenieurbauwesen – wissenschaftliche Bedeutung und Erhaltung“ wurde im Rahmen des Schwerpunktprogramms 2255 „Kulturerbe Konstruktion“ der Deutschen Forschungsgemeinschaft (DFG) gefördert und besteht aus drei Teilprojekten verteilt auf die Universität Innsbruck, die Hochschule Karlsruhe und die Technische Universität München. Das Projekt hat es sich zur Aufgabe gemacht, die letzten noch erhaltenen Messmodelle im deutschsprachigen Raum ausfindig zu machen, zu dokumentieren, bautechnikhistorisch einzuordnen, zu digitalisieren und restauratorisch zu bewerten. Dieser Beitrag soll einen Überblick über die Ausgangslage, die Vorgehensweisen, die Schwierigkeiten und erzielten Ergebnisse und Erkenntnisse aus dem Projekt geben.
Enhancing High Voltage Stability via Fluorination of Functionalized Metal Organic Framework Electrolyte in Lithium Metal Batteries
Authors: Xiao Chenxi , Liu Xiaotong , Li Weiping , Ma Xianghe , Qian Ju , Lin Xinrong 
Published: April 2024

AbstractThe electrolyte stability under high‐voltage conditions considerably limits the upper cut‐off potential of solid‐state electrolytes (SSEs) and therefore the energy density of all‐solid‐state batteries (ASSBs). In this work, metal‐organic frameworks (MOFs) were fluorinated to lower the energy level of HOMO orbital and allow access to a 4F‐MOF that exhibit enhanced anodic stability. The composited 4F‐MOF/PEO electrolyte could not only transport Li+ ions in the ordered framework channels, but also provide a remarkable high‐voltage stability up to 5.0 V, shielding oxidative decomposition that would otherwise occur at around 3.9 V for conventional PEO electrolytes. In addition, stable lithium deposition was demonstrated for more than 1,300 hours at 0.1 mA ⋅ cm−2, while reversible charge‐discharge cycling performance was delivered in assembled Li||LiNi0.5Mn1.5O4 (LNMO) ASSBs up to 5.0 V. Post‐mortem X‐ray photoelectron spectroscopy (XPS) investigation on cathodes revealed presence of a LiF‐rich cathode electrolyte interface (CEI), supporting promoted stability towards high‐voltage ASSBs.
A young woman with Mycobacterium chelonae complex infection caused by facial stem cell injection
Authors: Li Kun‐Jie , Lin Song‐Fa , Guo Yan‐Ni , Xu Tian‐Xing , Ji Chao 
Published: April 2024

Key Clinical MessageIn outpatient settings, Mycobacterium chelonae complex infection brought on by cosmetic injections are rather uncommon. We came across a case of infection brought on by a commercial stem cell injection.
Integrated Carbon Dioxide Capture and Utilization for the Production of CH4, Syngas and Olefins over Dual‐Function Materials
Authors: Li Juanting , He Xu , Hu Rongrong 
Published: April 2024

AbstractThe massive emission of carbon dioxide produces the greenhouse effect and poses a threat to the survival of modern civilization. The search for new carbon management strategies has been at the forefront of scientific research over the past few decades. Integrated carbon dioxide capture and utilization (ICCU), which aims to capture CO2 and convert it in situ into high value‐added products or fuels, is considered to be more attractive and innovative than alternative strategies. This paper introduces the adsorption capacity and characteristics of solid sorbents at different operating temperatures. On this basis, the recent research on ICCU technology combined with methanation, reverse water−gas shift reaction, dry reforming of alkanes and dehydrogenation of alkanes over novel dual‐function materials is presented, and the development direction and future prospects of ICCU are discussed.
3D Printing of Integrated Metallic Reactor Catalysts: Concept and Application
Authors: Pope Frances , Fowler Millie , Giesen Daan , Drangai Larissa , Rothenberg Gadi 
Published: April 2024

AbstractSelective laser melting can be used to create custom‐made monolith reactor components with embedded microscale catalytic sites. Doping with noble metals (0.01–0.04 % of Pt, Ir, Ru, or Rh) gave clean incorporation of the active metal particles metals. Yet catalytic activity was low, due to distribution of the active particles between the surface and the bulk of the monolith. Switching to cobalt enabled doping in higher amounts (1.5–2.0 %) with corresponding increase in activity. Using borohydride hydrolysis as a test reaction, we showed that a combined stainless steel and cobalt monolith was active in both batch and continuous systems, for at least 48 h, albeit with some loss of active material. The advantages and limitations of this catalyst/reactor preparation method are discussed.
Insight into the MOtBu (M=Na, K)‐Mediated Dehydrogenation of Dimethylamine‐Borane and Transfer Hydrogenation of Nitriles to Primary Amines
Authors: Chowdhury Deep , Sutradhar Rahul , Paul Ankan , Mukherjee Arup 
Published: April 2024

AbstractSelective synthesis of primary amines from nitriles is challenging in synthetic chemistry due to the possible en‐route generation of various amines and imines. Herein, we report a practical and operationally simple MOtBu‐mediated (M=Na, K) transfer hydrogenation of nitriles to the corresponding primary amines with a relatively unexplored sacrificial hydrogen source (dimethylamine borane). The strategy encompasses a broad substrate scope under transition metal‐free conditions and does not require any solvent. The mechanistic investigation was performed with the aid of control experiments and spectroscopic studies. The GC analysis of the reaction mixture exhibited the evolution of the H2 gas. Additionally, detailed computational calculations were undertaken to shed light on the possible intermediates and transition states involved during the present protocol.
A novel industrial process situation awareness model based on multi‐time scale dynamic feature fusion with applications to float glass manufacturing
Authors: Peng Kaixiang , Xu Kesheng 
Published: April 2024

AbstractModern industrial manufacturing processes often focus on the changes of performance indicators and the evolution of operation conditions. However, the dynamics of variables are vague within processes and even more difficult to be characterised across different processes. The time‐series dynamic characteristics of the different scales among variables, processes, and production cycles develop and transfer with changes in parameters, equipment, and processes. It is difficult to accurately show the quality index and operating condition trend at the same time. To solve these problems, a situation awareness (SA) framework integrating multi‐time scale dynamic features for manufacturing processes is proposed. First, data are condensed and reconstructed through the denoising long short term memory autoencoder to reveal the time series dynamic characteristics to get neighbourhood features which contain features among neighbourhood samples. Second, the neighbourhood features divided into window blocks are fused into the stage features by statistical analysis. Finally, a multi‐scale isometric convolution network is designed to extract the local and global features, which can effectively show the development of dynamic features on a long time scale, and profoundly describe the influence of full cycle features on variables and operating conditions. The proposed model is verified on the real data set of a float glass manufacturing process, and the SA model can well predict the future trend of long time series.
Cohesive particle–fluid systems: An overview of their CFD simulation
Authors: Marchelli Filippo , Fiori Luca , Di Felice Renzo 
Published: April 2024

AbstractSolid particles may experience different kinds of cohesive forces, which cause them to form agglomerates and affect their flow in multiphase systems. When such systems are simulated through computational fluid dynamics (CFD) programs, appropriate modelling tools must be included to reproduce this feature. In this review, these strategies are addressed for various systems and scales. After an introduction of the different forces (van der Waals, electrostatic, liquid bridge forces, etc.), the modelling approaches are categorized under three methodologies. For diluted slurries of very fine particles, many researchers succeeded with pseudo‐single phase approaches, employing a model for the non‐Newtonian rheology. This was especially popular for sludges in anaerobic digestions or certain types of soils. In other cases, continuum‐based approaches seem to be more adequate, including cohesiveness in the kinetic theory of granular flows or the restitution coefficient. Geldart‐A particles experiencing van der Waals forces are the primary focus of such studies. Finally, when each particle is modelled as a discrete element, the cohesive force can be directly specified; this is especially widespread for the wet fluidization case. For each of these approaches, a general overview of the main strategies, achievements, and limits is provided.
Recent Advances of Imide‐Functionalized Polymer Donors for Non‐fullerene Solar Cells†
Authors: Wang Huijuan , Mo Songmin , Li Dongyan , Wu Qinghe 
Published: April 2024

Comprehensive SummaryIn recent years, there has been a shift towards using non‐fullerene electron acceptors in organic solar cells (OSCs) as a replacement for fullerene derivatives. This change requires polymer donors that possess compatible physical properties, such as absorption range, HOMO energy level, miscibility, and crystallinity. Moreover, the high cost and poor batch‐to‐batch reproducibility of polymer donors also hinder future large‐scale manufacturing. These emphasize the need to explore alternative types of polymer donors. The imide‐functionalized building units possess several key attributes that make their polymers highly promising for non‐fullerene OSCs. These attributes include ease of synthesis, strong electron‐withdrawing ability, rigid and co‐planar structure, and the ability to easily tune solubility through imide side chains. In this review, we summarized the synthetic routes of imide building units, and the structural evolution of imide‐functionalized polymer donors by focusing on the effects of polymer structure on their physical, optoelectronic, and photovoltaic properties. We hope that this mini‐review will serve as a catalyst for future research on imide‐functionalized polymers toward high‐performance, cost‐effective, and durable organic solar cells (OSCs).
Domain‐specific translation tool from structured text to C source code with code readability enhancement in programmable logic controllers
Authors: Han Bing , Li Congfei , Deng Hua , Liu Guowei , Zheng Ze 
Published: April 2024

AbstractThe Industrial Internet has emerged as a key technology in the field of industrial automation, revolutionizing traditional manufacturing processes and enabling advanced control systems by integrating machines, sensors, and software systems through network connectivity, allowing for real‐time data exchange, analysis, and decision‐making in industrial environments. Programmable Logic Controllers (PLCs) play a critical role in industrial automation systems, which are specialized digital computers designed to control various manufacturing processes and machinery. As a promising language, Structured Text (ST) is of paramount importance for industrial Internet, and it is essential to translate ST into C, which is widely used in various industries for implementing control systems. However, due to differences in syntax, data types, and programming paradigms between the two languages, the translation process is facing several challenges. In this paper, we present a domain‐specific translation tool that automates the process of converting ST code to C code. This tool incorporates advanced AI techniques, particularly leveraging the capabilities of NL‐PL LLMs, to facilitate accurate and efficient translation while generating comprehensive documentation to assist developers. Finally, the evaluation and case studies conducted validate the effectiveness of the tool, demonstrating its practical applicability and benefits in real‐world industrial settings.