bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Role of CMC Statisticians: Co‐Practitioners of the Scientific Method
Authors: Schofield Timothy 
Published: July 2024

ABSTRACTChemistry, manufacturing, and control (CMC) statisticians play a key role in the development and lifecycle management of pharmaceutical and biological products, working with their non‐statistician partners to manage product quality. Information used to make quality decisions comes from studies, where success is facilitated through adherence to the scientific method. This is carried out in four steps: (1) an objective, (2) design, (3) conduct, and (4) analysis. Careful consideration of each step helps to ensure that a study conclusion and associated decision is correct. This can be a development decision related to the validity of an assay or a quality decision like conformance to specifications. Importantly, all decisions are made with risk. Conventional statistical risks such as Type 1 and Type 2 errors can be coupled with associated impacts to manage patient value as well as development and commercial costs. The CMC statistician brings focus on managing risk across the steps of the scientific method, leading to optimal product development and robust supply of life saving drugs and biologicals.
Flavonoids for treating pulmonary fibrosis: Present status and future prospects
Authors: Sharma Anju , Wairkar Sarika 
Published: July 2024

AbstractIdiopathic pulmonary fibrosis (IPF) is a progressive lung disease with an unknown underlying cause. There is no complete cure for IPF; however, two anti‐fibrotic agents (Nintedanib and pirfenidone) are approved by the USFDA to extend the patient's life span. Therefore, alternative therapies supporting the survival of fibrotic patients have been studied in recent literature. The abundance of phenolic compounds, particularly flavonoids, has gathered attention due to their potential health benefits. Various flavonoids, like naringin, quercetin, baicalin, baicalein, puerarin, silymarin, and kaempferol, exhibit anti‐inflammatory and anti‐oxidant properties, which help decrease lung fibrosis. Various databases, including PubMed, EBSCO, ProQuest, and Scopus, as well as particular websites, such as the World Health Organisation and the National Institutes of Health, were used to conduct a literature search. Several mechanisms of action of flavonoids are reported with the help of in vivo and cell line studies emphasizing their ability to modulate oxidative stress, inflammation, and fibrotic processes in the lungs. They are reported for the restoration of biomarkers like hydroxyproline, cytokines, superoxide dismutase, malondialdehyde and others associated with IPF and for modulating various pathways responsible for the progression of pulmonary fibrosis. Yet, flavonoids have some drawbacks, such as poor solubility, challenging drug loading, stability issues, and scarce bioavailability. Therefore, novel formulations of flavonoids are explored, including liposomes, solid lipid microparticles, polymeric nanoparticles, nanogels, and nanocrystals, to enhance the therapeutic efficacy of flavonoids in pulmonary fibrosis. This review focuses on the role of flavonoids in mitigating idiopathic pulmonary fibrosis, their mode of action and novel formulations.
In silico designing and optimization of anti‐epidermal growth factor receptor scaffolds by complementary‐determining regions‐grafting technique
Authors: Rezaei Adriani Razieh , Mousavi Gargari Seyed Latif , Bakherad Hamid , Amani Jafar 
Published: July 2024

AbstractMonoclonal antibodies are attractive therapeutic agents in a wide range of human disorders that bind specifically to their target through their complementary‐determining regions (CDRs). Small proteins with structurally preserved CDRs are promising antibodies mimetics. In this in silico study, we presented new antibody mimetics against the cancer marker epidermal growth factor receptor (EGFR) created by the CDRs grafting technique. Ten potential graft acceptor sites that efficiently immobilize the grafted CDR loops were selected from three small protein scaffolds using a computer. The three most involved CDR loops in antibody‐receptor interactions extracted from panitumumab antibody against the EGFR domain III crystal structure were then grafted to the selected scaffolds through the loop randomization technique. The combination of three CDR loops and 10 grafting sites revealed that three of the 36 combinations showed specific binding to EGFR DIII by binding energy calculations. Thus, the present strategy and selected small protein scaffolds are promising tools in the design of new binders against EGFR with high binding energy.
Arrays of Bowl‐Shaped Janus Particle Film with Structured Colors
Authors: Zhou Yating , You Xianzhu , Liu Wenying , Yang Wei , Jin Xuru , Pei Xiaopeng , Xiang Sheng , Zhou Hua , Liao Zhiyong , Tan Ying 
Published: July 2024

AbstractStructural colors generated via total internal reflection (TIR) using nanostructure‐free micro‐concave shapes have garnered increasing attention. However, the application of large micro‐concave structures for structural coloration remains limited. Herein, a flexibly tunable structural color film fabricated by casting polydimethylsiloxane (PDMS) on an array of large poly(glycidyl methacrylate) (PGMA) bowl‐shaped particles is reported. The resultant film exhibits tunable red to green structural colors with changing observation angles. Moreover, the color can be further tailored by altering the shape of the film itself. The incorporation of the PDMS layer not only facilitates a shift in the locus of TIR from the bottom surface to the top concave surface of the particles, thereby enabling the generation of structural color, but also confers enhanced flexibility to the film. Further decoration with silver nanoparticles imparts antimicrobial properties, yielding a novel antimicrobial coating material with structural colors. The simple and cost‐effective strategy for the production of structural color films provides potential applications in antimicrobial coatings, enabling accessible and customizable structural coloration using big‐size micro‐concave particles.
Amphiphilic Nanoscale Antifog Coatings: Improved Chemical Robustness by Continuous Assembly of Polymers
Authors: Mossayebi Zahra , Shabani Sadegh , Easton Christopher D. , Gurr Paul A. , Simons Ranya , Qiao Greg G. 
Published: July 2024

AbstractDesigning effective antifog coatings poses challenges in resisting physical and chemical damage, with persistent susceptibility to decomposition in aggressive environments. As their robustness is dictated by physicochemical structural features, precise control through unique fabrication strategies is crucial. To address this challenge, a novel method for crafting nanoscale antifog films with simultaneous directional growth and cross–linking is presented, utilizing solid‐state continuous assembly of polymers via ring‐opening metathesis polymerization (ssCAPROMP). A new amphiphilic copolymer (specified as macrocross–linker) is designed by incorporating polydimethylsiloxane, poly(2‐(methacryloyloxy)ethyl) trimethylammonium chloride (PMETAC), and polymerizable norbornene (NB) pendant groups, allowing ssCAPROMP to produce antifog films under ambient conditions. This novel approach results in distinctive surface and molecular characteristics. Adjusting water‐absorption and nanoscale assembly parameters produced ultra‐thin (≤100 nm) antifog films with enhanced durability, particularly against strong acidic and alkaline environments, surpassing commercial antifog glasses. Thickness loss analysis against external disturbances further validated the stable surface‐tethered chemistries introduced through ssCAPROMP, even with the incorporation of minimal content of cross–linkable NB moieties (5 mol%). Additionally, a potential zwitter‐wettability mechanism elucidates antifog observations. This work establishes a unique avenue for exploring nanoengineered antifog coatings through facile and robust surface chemistries.
An Effective Catholyte for Sulfide‐Based All‐Solid‐State Batteries Utilizing Gas Absorbents
Authors: Choi Hyunbeen , Cho Sungjin , Kim Yoon‐Seong , Cho Jun Sic , Kim Haesol , Lee Hyungjin , Ko Sumin , Kim Kyungjun , Lee Sang‐Min , Hong Seung‐Tae , Choi Chang Hyuck , Seo Dong‐Hwa , Park Soojin 
Published: July 2024

AbstractAll‐solid‐state batteries (ASSBs) possess the advantage of ensuring safety while simultaneously maximizing energy density, making them suitable for next‐generation battery models. In particular, sulfide solid electrolytes (SSEs) are viewed as promising candidates for ASSB electrolytes due to their excellent ionic conductivity. However, a limitation exists in the form of interfacial side reactions occurring between the SSEs and cathode active materials (CAMs), as well as the generation of sulfide‐based gases within the SSE. These issues lead to a reduction in the capacity of CAMs and an increase in internal resistance within the cell. To address these challenges, cathode composite materials incorporating zinc oxide (ZnO) are fabricated, effectively reducing various side reactions occurring in CAMs. Acting as a semiconductor, ZnO helps mitigate the rapid oxidation of the solid electrolyte facilitated by an electronic pathway, thereby minimizing side reactions, while maintaining electron pathways to the active material. Additionally, it absorbs sulfide‐based gases, thus protecting the lithium ions within CAMs. In this study, the mass spectrometer is employed to observe gas generation phenomena within the ASSB cell. Furthermore, a clear elucidation of the side reactions occurring at the cathode and the causes of capacity reduction in ASSB are provided through density functional theory calculations.
Polyurethane Based Smart Composite Fabric for Personal Thermal Management in Multi‐Mode
Authors: Li Xunzhang , Liao Guodong , Cai Wangwang , Yang Jing , Jiang Ruiwen , Wan Jianglong , Zhao Huaixia , Wang Yangxin , Cui Jiaxi 
Published: July 2024

AbstractTextiles with thermal/moisture managing functions are of high interest. However, making the textile sensitive to the surrounding environment is still challenging. Herein, a multimodal smart fabric is developed by stitching together the Ag coated thermal‐humidity sensitive thermoplastic polyurethane (Ag‐THSPU) and the hybrid of polyvinylidene fluoride and polyurethane (PU‐PVDF). The porous PU‐PVDF layer is used for solar reflection, infrared emissivity, and water resistance. The Ag‐THSPU layer is designed for regulating thermal reflection, sweat evaporation as well as convection. In cold and dry state, the Ag domains are densely packed covering the crystalline polyurethane matrix, featuring low water transmission (102.74 g m−2·24 h−1), high thermal reflection and 2.4 °C warmer than with cotton fabric. In the hot and humid state, the THSPU layer is swollen by sweat and expands in area, resulting in the formation of micro‐hook faces where the Ag domains spread apart to promote sweat evaporation (2084.88 g/m−2·24 h−1), thermal radiation and convection, offering 2.5 °C cooler than with cotton fabric. The strategy reported here opens a new door for the development of adaptive textiles in demanding situations.
Metrics for software process simulation modeling
Authors: Liu Bohan , Zhang He , Dong Liming , Wang Zhiqi , Li Shanshan 
Published: July 2024

AbstractSoftware process simulation (SPS) has become an effective tool for software process management and improvement. However, its adoption in industry is less than what the research community expected due to the burden of measurement cost and the high demand for domain knowledge. The difficulty of extracting appropriate metrics with real data from process enactment is one of the great challenges. We aim to provide evidence‐based support of the process metrics for software process (simulation) modeling. A systematic literature review was performed by extending our previous review series to draw a comprehensive understanding of the metrics for process modeling following our proposed ontology of metrics in SPS. We identify 131 process modeling studies that collectively involve 1975 raw metrics and classified them into 21 categories using the coding technique. We found product and process external metrics are not used frequently in SPS modeling while resource external metrics are widely used. We analyze the causal relationships between metrics. We find that the models exhibit significant diversity, as no pairwise relationship between metrics accounts for more than 10% SPS models. We identify 17 data issues may encounter in measurement and 10 coping strategies. The results of this study provide process modelers with an evidence‐based reference of the identification and the use of metrics in SPS modeling and further contribute to the development of the body of knowledge on software metrics in the context of process modeling. Furthermore, this study is not limited to process simulation but can be extended to software process modeling, in general. Taking simulation metrics as standards and references can further motivate and guide software developers to improve the collection, governance, and application of process data in practice.
Boosting Microfluidic Enzymatic Cascade Reactions with pH‐Responsive Polymersomes by Spatio–Chemical Activity Control
Authors: Koball Andrea , Obst Franziska , Gaitzsch Jens , Voit Brigitte , Appelhans Dietmar 
Published: July 2024

AbstractMicrofluidic flow reactors permit the implementation of sensitive biocatalysts in polymeric environments (e.g., hydrogel dots), mimicking nature through the use of diverse microstructures within defined confinements. However, establishing complex hybrid structures to mimic biological processes and functions under continuous flow with optimal utilization of all components involved in the reaction process represents a significant scientific challenge. To achieve spatial, chemical, and temporal control for any microfluidic application, compartmentalization is required, as well as the unification of different sensitive compartments in the reaction chamber for the microfluidic flow design. This study presents a self‐regulating microfluidic system fabricated by a sequential photostructuring process with an intermediate chemical process step to realize pH‐sensitive hybrid structures for the fabrication of a microfluidic double chamber reactor for controlled enzymatic cascade reaction (ECR). The key point is the adaptation and retention of the function of pH‐responsive horseradish peroxidase‐loaded polymersomes in a microfluidic chip under continuous flow. ECR is successfully triggered and controlled by an interplay between glucose oxidase‐converted glucose, the membrane state of pH‐responsive polymersomes, and other parameters (e.g., flow rate and fluid composition). This study establishes a promising noninvasive regulatory platform for extended spatio–chemical control of current and future ECR and other cascade reaction systems.
Supramolecular Chiral Aggregation of Porphyrin Induced by Photo‐Generated Triphenylamines Radical Cations
Authors: Zhang Bojia , Du Cong , Wen Xin , Zhang Li , Duan Ran , Liu Minghua 
Published: July 2024

AbstractHere, it is shown that photoirradiation triggered chiral J‐aggregates formation of an achiral anionic porphyrin, TPPS (tetrakis(4‐sulfonatophenyl) porphyrin), in the presence of chiral triphenylamine (TPA) derivatives. A series of chiral triarylamines linked with aromatic rings is designed through urea or amide bonds. UV‐irradiation of self‐assembled urea‐linked triphenylamine derivatives causes the formation of persistent radical cations in the chlorinated solvents, which subsequently induces the aggregation of TPPS. Transferring chirality of TPA derivatives to achiral TPPS J‐aggregates leads to the chiral assemblies with remarkable chiroptical signals. The experimental results demonstrate that, TPA derivatives linked by the urea bond can effectively promote the aggregation of TPPS rather than those with the amide bond although the photo‐generated radical cations are both produced. It is suggested that the urea‐linked TPA derivatives are more favorable to stable radical cations and thus cause the formation of TPPS chiral J‐aggregation. This work may open up an avenue for designing photo‐modulated chiral supramolecular assemblies.
A differential privacy aided DeepFed intrusion detection system for IoT applications
Authors: Anwar Sayeda Suaiba , Asaduzzaman  , Sarker Iqbal H. 
Published: July 2024

AbstractIn the rapidly‐developing Internet of Things (IoT) ecosystem, safeguarding the privacy and accuracy of linked devices and networks is of utmost importance, with the challenge lying in effective implementation of intrusion detection systems on resource‐constrained IoT devices. This study introduces a differential privacy (DP)‐aided DeepFed architecture for intrusion detection in IoT contexts as a novel approach to addressing these difficulties. To build an intrusion detection model, we combined components of a convolutional neural network with bidirectional long short‐term memory. We apply this approach to the Bot‐IoT dataset, which was rigorously curated by the University of New South Wales (UNSW) and N‐BaIoT dataset. Our major goal is to create a model that delivers high accuracy while protecting privacy, an often‐overlooked aspect of IoT security. Intrusion detection tasks are distributed across multiple IoT devices using federated learning principles to protect data privacy, incorporating the DP framework to gauge and minimize information leakage, all while investigating the intricate relationship between privacy and accuracy in pursuit of an ideal compromise. The trade‐off between privacy preservation and model accuracy is investigated by adjusting the privacy loss and noise multiplier. Our research enhances IoT security by introducing a deep learning model for intrusion detection in IoT devices, explores the integration of DP in federated learning framework for IoT and offers guidance on minimizing the accuracy‐privacy trade‐off based on specific privacy and security needs. Our study explores the privacy‐accuracy trade‐off by examining the effects of varying epsilon values on accuracy for various delta values for a range of clients between 5 and 25. We also investigate the influence of several noise multipliers on accuracy and find a consistent accuracy curve, especially around a noise multiplier value of about 0.5. The findings of this study have the possibilities to enhance IoT ecosystem security and privacy, contributing to the IoT landscape's trustworthiness and sustainability.
Breaking barriers: Sunlight‐activated self‐healing polymers with unprecedented photoaging resistance
Authors: Li Yan Mei , Zhang Ze Ping , Rong Min Zhi , Zhang Ming Qiu 
Published: July 2024

AbstractSunlight‐triggered self‐healing of polymers has attractive advantages, but the same illumination inevitably causes photoaging. The resulting properties deterioration and shortened lifespan run counter to the desire for self‐healing. Herein, the authors propose an innovative solution by introducing carbazolyl‐based dithiocarbamate units. The proof‐of‐concept crosslinked poly(carbazolyl dithiocarbamates‐urethane) shows that the multitasking reactivities of the dynamic bonds stimulated by the sun's ultraviolet rays concurrently implement self‐healing and improve the photoaging resistance. As reflected by the xenon weatherometer measurements, it retains 73.5% of the original strength after 576 h owing to the effects of hydroperoxide intermediates elimination and fluorescence emission. The anti‐photoaging ability is far superior to the control filled with commercial stabilizer. Meantime, networks rearrangement via dynamic exchange reactions among the sunlight‐sensitive dithiocarbamates and long‐range free radicals transfer are allowed in surface layer and the interior, so that the cracks up to 8.5 mm deep are repaired. The work provides a feasible way to break the bottleneck in application of photochemical self‐healing polymers.
Operational Forecasting of Effective Angular Momentum Functions Fourteen Days Ahead
Authors: Shahvandi Mostafa Kiani , Schartner Matthias , Gou Junyang , Soja Benedikt 
Published: July 2024

AbstractForecasts of Earth’s Effective Angular Momentum functions (EAM) are used for different applications, including prediction of Earth Orientation Parameters (EOPs). Since May 2021, the Chair of Space Geodesy at ETH Zurich has been operationally providing accurate EAM forecasts. These forecasts cover the domain of atmosphere, ocean, hydrology, and sea level. They are based on the EAM forecasts by GFZ Potsdam but are corrected and extended to cover a forecasting horizon of two weeks using machine learning techniques. Here, we present a summary of the methodology and the results achieved during the past two years. We demonstrate the enhanced accuracy of our improved EAM functions of up to 50%. Furthermore, we demonstrate the impact on the potential application of utilizing EAM forecasts in the form of ultra-short-term prediction of length of day, where an improved accuracy of up to 19% has been achieved. The improved EAM forecasting product is updated daily and available at https://gpc.ethz.ch/EAM/.
Towards Clock Ties for a Global Geodetic Observing System
Authors: Kodet Jan , Klügel Thomas , Plötz Christian , Probst Willi , Neidhardt Alexander , Schreiber Karl Ulrich 
Published: July 2024

AbstractInternational reference frames play a pivotal role in metrological applications related to the Earth sciences, covering critical areas such as geodetic reference frames, global change research, deformation processes, and global mass transport. Despite substantial advancements in measurement precision over the past two decades, there are still discrepancies at the centimeter level presenting a persistent challenge. In this paper, we investigate a promising approach to address these subtle error sources, affecting critical parts of the measurement equipment despite the presence of calibration methods.We have built a novel measurement constraint, based on a precise clock and active time delay compensation. By comparing the timing signals in a geodetic measurement system constantly against a precisely controlled optical ruler, we can identify variable system delays that were previously inaccessible. In this way, we introduce a novel tie to the geodetic measurement techniques that can even capture instrumental delay variations over several months.
Fermi gas formalism for D-type quiver Chern-Simons theory with non-uniform ranks
Authors: Kubo Naotaka , Nosaka Tomoki 
Published: July 2024

Abstract
We construct the Fermi gas formalism for the partition function of supersymmetric Chern-Simons theories with affine D-type quiver diagrams with non-uniform ranks of the gauge groups and Fayet-Illiopoulos parameters by two different approaches: the open string formalism and the closed string formalism. In the closed string formalism approach, we find a novel connection between the partition function of this theory and the partition function of a four-nodes circular quiver supersymmetric Chern-Simons theory. We also studied a symmetry of a density matrix appeared in the closed string formalism. We further calculate the exact values of the partition function for finite N, with which we identified the exponent of the leading non-perturbative effect in 1/N corresponding to the worldsheet instantons in the circular quiver supersymmetric Chern-Simons theories.