bluuebunny/crossref_metadata_2025_split huggingface dataset:
Potential drug–drug interactions among U.S. adults treated with nirmatrelvir/ritonavir: A cross‐sectional study of the National Covid Cohort Collaborative (N3C)
Authors: Xiao Xuya , Mehta Hemalkumar B. , Curran Jill , Garibaldi Brian T. , Alexander G. Caleb ,   National Covid Cohort Collaborative (N3C) Consortium
Published: August 2023

AbstractStudy ObjectiveTo estimate the prevalence of potential moderate to severe drug–drug interactions (DDIs) involving nirmatrelvir/ritonavir, identify interacting medications, and evaluate risk factors associated with potential DDIs.DesignCross‐sectional study.Data SourceElectronic health records from the National COVID Cohort Collaborative Enclave, one of the largest COVID‐19 data resources in the United States.PatientsOutpatients aged ≥18 years and started nirmatrelvir/ritonavir between December 23, 2021 and March 31, 2022.InterventionNirmatrelvir/ritonavir.MeasurementsThe outcome is potential moderate to severe DDIs, defined as starting interacting medications reported by National Institutes of Health 30 days before or 10 days after starting nirmatrelvir/ritonavir.Main ResultsOf 3214 outpatients who started nirmatrelvir/ritonavir, the mean age was 56.8 ± 17.1 years, 39.5% were male, and 65.8% were non‐Hispanic white. Overall, 521 (16.2%) were potentially exposed to at least one moderate to severe DDI, most commonly to atorvastatin (19.2% of all DDIs), hydrocodone (14.0%), or oxycodone (14.0%). After adjustment for covariates, potential DDIs were more likely among individuals who were older (odds ratio [OR] 1.16 per 10‐year increase, 95% confidence interval [CI] 1.08–1.25), male (OR 1.36, CI 1.09–1.71), smokers (OR 1.38, CI 1.10–1.73), on more co‐medications (OR 1.35, CI 1.31–1.39), and with a history of solid organ transplant (OR 3.63, CI 2.05–6.45).ConclusionsOne in six of individuals receiving nirmatrelvir/ritonavir were at risk of a potential moderate or severe DDI, underscoring the importance of clinical and pharmacy systems to mitigate such risks.
Engineering hollow covalent organic framework particle through self‐templated crystallization
Authors: Zheng Zhenqian , Yang Yuhao , Chen Di , Wang Song , Li Qiulin , Zhang Ziyang , Li Wei , Chen Bajin , Wang Wen‐Jun , Liu Pingwei 
Published: August 2023

AbstractNano/microparticles with hollow structures have many applications in various fields. However, engineering hollow covalent organic framework (COF) particles in a simple and efficient manner remains a significant challenge. In this study, we propose a self‐template crystallization method to prepare imine‐based COF microparticles with tailored shell thickness and high crystallinity. This method involves the post‐transformation of amorphous microparticles in a highly reversible reaction system containing monofunctional competitors. The amorphous precursors with high‐Gibbs free energy decompose and reconstruct to form highly crystalline COFs in situ on the particle surface. This process allows for the preparation of various Schiff‐base COF particles with good crystallinity and tailored hollow structures, with diameters ranging from 120 to 680 nm and shell thicknesses of 27–96 nm. These COF particles have well‐defined micropore sizes centered between 1.0 and 4.0 nm and a high‐specific surface area of up to 543 m2 g−1. The resulted COF particles could be used to support ethylene oligomerization catalysts for improving their activity and selectivity, that is, the mass fraction of α‐olefins above C10 increased from almost zero to 52.7% after COF supporting. Our method thus provides an efficient way to precisely tailor the microstructure and morphology of COF materials for advanced applications.
8.3: A Method for Measuring Droplet Volume of Electrospray Deposition Based on AdaBoost Regression
Authors: Pan Fei , Hu Chao , Lei Chunyao , Chen Jiankui 
Published: August 2023

OLED (organic light‐emitting diode) displays have become the next generation of mainstream display technology due to their high luminous efficiency and flexibility, and the manufacturing technology of OLEDs has a critical impact on their longevity and display quality. ESD (Electrospray Deposition) is an innovative technique to achieve micron‐scale membrane structures to meet the requirements for effective manufacturing of organic TFE (thin film encapsulation) layers for use in organic light‐emitting diode displays. Measuring array droplet deposition volume produced by Electrostatic Spray Deposition plays a vital role in the consistency control of film thickness.This paper presents a method for measuring the deposition volume of array droplets. The volume of the deposited droplets is estimated by establishing the mapping relationship between a large number of deposition variables (including the print parameters and the features of the deposited droplets) and the volume. This paper uses a data set containing 427 samples to build a machine learning (ML) model. The AdaBoost regressor is selected to ensure accuracy and avoid overfitting. Based on this measurement method, a deposition droplet measurement system (DDMS) is established, and the performance of the proposed method is verified. The results show that volume prediction performance (R2) reached 0.96, the regression volume error is about 0.51%, and the average time for each droplet measured is 0.5ms.is
P‐2.16: Research on three‐dimensional reconstruction based on VTK
Authors: Bai Kunpeng , Li Zhengping , Li Ying , Wang Lijun , Zhang Yongmei 
Published: August 2023

Three‐dimensional reconstruction of medical tomographic images is a technological way to provides a 3D model of biological tissue. As it not only provides a 3D model, but also shows the spatial location of this model, it received widespread attention. By human‐computer interaction, doctors can easily conduct disease analysis and surgical planning.This paper introduces a novel three‐dimensional reconstruction technology of magnetic resonance images, which deals with the brightness, contrast adjustment, and three‐dimensional reconstruction of Dicom images. This paper uses the Visualization Toolkit VTK to implement Dicom 3D image reconstruction. VTK has a large number of callable functions built in and encapsulates some common visualization algorithms. When visualizing medical data, VTK can directly call the related functions. VTK three‐dimensional reconstruction can help people intuitively see the contents of a 3D image. Displaying two‐ dimensional images is easy, but displaying 3D images is not. Previously, because of the limited technical means, even if the data of the 3D image is obtained, it can only be displayed as a slice of the 2D image, which is not intuitive. With the development of computer science and technology, the use of computer graphics technology to model and render 3D objects in real‐time has become the mainstream method of object display, while the past two‐dimensional display method has been gradually phased out.To describe the process of 3D modeling more accurately and intuitively, this paper focuses on a reconstruction technique, polygon drawing. Polygon drawing uses segmentation technology to perform contour recognition, extraction, and other operations on a series of two‐dimensional images, and ultimately restores the three‐dimensional model of the detected object and displays it as a surface.First, the original data is a discrete three‐dimensional spatial rule data field. The images generated by CT and MRI of tomography scanners belong to this data type, that is, the DICOM type image used in this paper. Second, the boundary between the content part and the background part in the three‐dimensional image is found in the unit of volume, and triangles are extracted to fit the boundary. Then, all the voxels are traversed to find out which triangles are finally assembled to form a triangular mesh of the surface of the real point in the image. Finally, a triangle mesh model is built to render the model, and the rendered model is put into the window to interact with users.
Lignocellulosic Biomass‐Based Carbon Dots: Synthesis Processes, Properties, and Applications
Authors: Gan Jian , Chen Lizhen , Chen Zhijun , Zhang Jilei , Yu Wenji , Huang Caoxing , Wu Yan , Zhang Kai 
Published: August 2023

AbstractCarbon dots (CDs), a new type of carbon‐based fluorescent nanomaterial, have attracted widespread attention because of their numerous excellent properties. Lignocellulosic biomass is the most abundant renewable natural resource and possesses broad potential to manufacture different composite and smart materials. Numerous studies have explored the potential of using the components (such as cellulose, hemicellulose, and lignin) in lignocellulosic biomass to produce CDs. There are few papers systemically aiming in the review of the state‐of‐the‐art works related to lignocellulosic biomass‐derived CDs. In this review, the significant advances in synthesis processes, formation mechanisms, structural characteristics, optical properties, and applications of lignocellulosic biomass‐based CDs such as cellulose‐based CDs, hemicellulose‐based CDs and lignin‐based CDs in latest research are reviewed. In addition, future research directions on the improvement of the synthesis technology of CDs using lignocellulosic biomass as raw materials to enhance the properties of CDs are proposed. This review will serve as a road map for scientists engaged in research and exploring more applications of CDs in different science fields to achieve the highest material performance goals of CDs.
Building Atomic Scale and Dense Fe─N4 Edge Sites of Highly Efficient Fe─N─C Oxygen Reduction Catalysts Using a Sacrificial Bimetallic Pyrolysis Strategy
Authors: Luo Zhaoyan , Zhou Tingyi , Guan Yi , Zhang Lei , Zhang Qianling , He Chuanxin , Sun Xueliang , Ren Xiangzhong 
Published: August 2023

AbstractReplacing high‐cost and scarce platinum (Pt) with transition metal and nitrogen co‐doped carbon (M/N/C, M = Fe, Co, Mn, and so on) catalysts for the oxygen reduction reaction (ORR) in proton exchange membrane fuel cells has largely been impeded by the unsatisfactory ORR activity of M/N/C due to the low site utilization and inferior intrinsic activity of the M─N4 active center. Here, these limits are overcome by using a sacrificial bimetallic pyrolysis strategy to synthesize Fe─N─C catalyst by implanting the Cd ions in the backbone of ZIF‐8, leading to exposure of inaccessible FeN4 edge sites (that is, increasing active site density (SD)) and high fast mass transport at the catalyst layer of cathode. As a result, the final obtained Fe(Cd)─N─C catalyst has an active site density of 33.01 µmol g−1 (with 33.01% site utilization) over 5.8 times higher than that of Fe─N─C catalyst. Specially, the optimal catalyst delivers a high ORR performance with a half‐wave potential of 0.837 (vs RHE) in a 0.1 m HClO4 electrolyte, which surpasses most of Fe‐based catalysts.
Coarse‐grained molecular dynamics simulation of polymers: Structures and dynamics
Authors: Shi Rui , Qian Hu‐Jun , Lu Zhong‐Yuan 
Published: August 2023

AbstractFor the simulations of polymeric systems, coarse‐grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but also these CG models can provide sufficient structural and dynamical properties at both micro‐ and meso‐scopic levels. During the past decades, developments of these CG models are roughly in two directions, that is, generic and chemically system‐specific models. The developme of the formmer focuses on the capability of the model to capature the general properties of the system, for instance, scaling relations between both structural and dynamic properties with respect to chain length. On the other hand, to bridging the gap between physics and chemistry, chemically‐specifi models are also widely developed which are able to retain the inherent chemical–physical properties for a given polymer system. However, due to the reduction of atomistic degree of freedom a faithful reproduction of structure and especialy dynamics properties of the system is the maijor challenge. In this review, after a brief introduction of some widely used generic models, we present an overview of both recent achievements and remainning challendges in the development of chemically‐specific CG approaches, for the simulations of polymer systems.This article is categorized under:Structure and Mechanism > Computational Materials ScienceMolecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods
Francis Williams: Shedding light on the production, materials and techniques of the portrait of a Jamaican scholar
Authors: Melita Lucia Noor , Amato Silvia Rita , Risdonne Valentina , Ledwina Laura , Nevin Austin , Burgio Lucia 
Published: August 2023

AbstractThe Victoria and Albert Museum holds an important portrait of the Jamaican scholar and writer Francis Williams (c.1692/97–1762), portrayed as a scholar in his study. It is believed to have been painted around 1745 by an unknown artist, but the circumstances of its production are unknown. A technical examination of the painting was performed using x‐radiography and infrared reflectography (IRR), macro x‐ray fluorescence scanning (XRF), digital microscopy, scanning electron microscopy with energy‐dispersive x‐ray spectroscopy (SEM–EDX) and reflectance imaging spectroscopy in the short‐wave infrared (SWIR). XRF, IRR and reflectance imaging spectroscopy in the SWIR revealed the distribution of inorganic pigments including lead white, earth pigments, Prussian blue, vermilion, orpiment (or pararealgar) and bone or ivory black. Pentimenti and a different sketched landscape were observed in the IRR images, highlighting changes in the final composition. Three‐dimensional (3D) digital microphotography provided additional historical and contextual information through the observation of book titles and details. High‐resolution digital imaging complemented analytical data. Results of the technical examination revealed the material composition and the development of the painting, contributing to shed new light on the production of the portrait, the history and significance of the portrait.
BI 1291583: a novel selective inhibitor of cathepsin C with superior in vivo profile for the treatment of bronchiectasis
Authors: Kreideweiss Stefan , Schänzle Gerhard , Schnapp Gisela , Vintonyak Viktor , Grundl Marc A. 
Published: August 2023

Abstract
Background
Airway inflammation in chronic inflammatory lung diseases (e.g. bronchiectasis) is partly mediated by neutrophil-derived serine protease (NSP)/antiprotease imbalance. NSPs are activated during neutrophil myelopoiesis in bone marrow by cathepsin C (CatC; DPP1). CatC is therefore an attractive target to reduce NSP activity in the lungs of patients with bronchiectasis, restoring the protease/antiprotease balance. We report results from the preclinical pharmacological assessment of the novel CatC inhibitor BI 1291583.

Methods
Binding kinetics of BI 1291583 to human CatC were determined by surface plasmon resonance. In vitro inhibition of human CatC activity was determined by CatC-specific fluorescent assay, and selectivity was assessed against related cathepsins and unrelated proteases. Inhibition of NSP neutrophil elastase (NE) production was assessed in a human neutrophil progenitor cell line. In vivo inhibition of NE and NSP proteinase 3 (PR3) in bronchoalveolar lavage fluid (BALF) neutrophils after lipopolysaccharide (LPS) challenge and distribution of BI 1291583 was determined in a mouse model.

Results
BI 1291583 bound human CatC in a covalent, reversible manner, selectively and fully inhibiting CatC enzymatic activity. This inhibition translated to concentration-dependent inhibition of NE activation in U937 cells and dose-dependent, almost-complete inhibition of NE and PR3 activity in BALF neutrophils in an in vivo LPS-challenge model in mice. BI 1291583 exhibited up to 100 times the exposure in the target tissue bone marrow compared with plasma.

Conclusion
BI 1291583-mediated inhibition of CatC is expected to restore the protease–antiprotease balance in the lungs of patients with chronic airway inflammatory diseases such as bronchiectasis.
Earlier consolidation and improved knee function of medial open wedge high tibial osteotomy with autologous bone graft
Authors: Bodenbeck Eva-Maria , Böpple Jessica C. , Doll Julian , Bürkle Franziska , Schmidmaier Gerhard , Fischer Christian 
Published: August 2023

Abstract
Purpose
Medial knee osteoarthritis can be treated with medial open wedge high tibial osteotomy (OWHTO). We sought to investigate osseous consolidation of the osteotomy with and without autologous bone grafts (ABG) to detect possible benefits of ABG in osseous healing and functional outcome.

Methods
In this prospective study, patients without graft transplantation were compared to those receiving ABG after medial OWHTO. They were followed up 6 weeks, 12 weeks, 6 months and 12 months postoperatively. Radiographic progress of consolidation, clinical scores, contrast-enhanced ultrasound (CEUS) and dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) were assessed at each appointment.

Results
A total of 35 patients were enrolled, 20 without and 15 with graft transplantation. Radiologic evaluation showed a significantly earlier consolidation of the osteotomy gaps (p = 0.012) in patients with ABG, resulting in a significantly higher rate of consolidation 12 months after surgery (60% without bone graft vs. 100% with bone graft, p = 0.006). At 6 weeks as well as 6-month follow-up, a tendency of earlier consolidation with ABG was apparent, but not statistically significant (6 weeks: 50% vs. 80%, p = 0.089; 6 months: 30% vs. 60%, p = 0.097). CEUS and DCE-MRI showed physiological perfusion of the osteotomy gaps in both groups. A tendency to better function and less pain in patients with ABG was recognizable.

Conclusion
In our study, autologous bone grafting evocated earlier osseous consolidation after medial OWHTO and showed a tendency to a better functional outcome.
Dielectric and dynamic antibacterial investigations of organic–inorganic conductive membranes based on oxidized cellulose with BNKT nanoceramics
Authors: Ali Ahmed I. , Hemdan Bahaa A. , Mansour A. M. , Abou Hammad Ali B. , Kamel Samir , El Nahrawy Amany M. 
Published: August 2023

AbstractThe development of eco-friendly materials for advanced applications is highly demanded. The current study focuses on the preparation of conductive membranes based on tricarboxylic cellulose (TCC) loaded with cubic bismuth sodium titanate (BNKT) nanoceramics. FTIR, SEM, and EDX analyses confirm the presence of loaded BNKT on the membranes. The electrical response of the cellulose/xBNKT (x = 5, 10, 15, and 20% wt/wt) membrane is investigated using impedance spectroscopy. The real part (Z′) and the imaginary part (Z″) of the complex impedance are studied as a function of frequency (4Hz ~ 8MHz) and temperature (20 ~ 160 °C) for the different compositions. Impedance and modulus studies reveal a Debye-type relaxation phenomenon. The dielectric studies manifest promising dielectric properties. The bactericidal performance of all nanomembranes is evaluated. The nanomembrane with 20% BNKT (C20) exhibits bactericidal activity against Gram-negative and Gram-positive bacteria, with 6 log CFU reductions observed after an exposure time of 180 min. Treatment with the C20 nanomembrane shows the highest amounts of protein efflux. The results indicate that the C20 nanomembrane layer eradicated all bacterial cells. The findings suggest that the C20 nanomembrane is recommended as an intelligent and innovative antibacterial nano-system for bio-applications.
Glass supported SERS chips for emerging pollutant analyses
Authors: Albini B. , Parmigiani M. , Pellegrini G. , Taglietti A. , Galinetto P. 
Published: August 2023

AbstractThe dramatic increase of environmental pollution leads to the demand of new sampling strategies that could perform in-situ monitoring and rapid identification. In this regard, Surface Enhanced Raman Spectroscopy is a good candidate among the possible analytical techniques. Thus, enormous efforts are in course to select best nanoplatforms able to maximize the SERS effect and in turn to reach the lowest limit of pollutant detection. In this work, we investigated the SERS response of colloidal gold nanostars (GNS) coated with a layer of silver with increasing thickness. In particular, we observed a maximum in the SERS signal at a precise silver thickness. The so-optimized GNS@Ag were used to prepare glass supported SERS substrates, displaying good enhancement factor and high homogeneity intra sample. We also evaluate the reproducibility on large-scale production, demonstrating again a good homogeneity of the response and the overall goodness of the substrates. Our glassy SERS-active chips were fruitfully used to detect norfloxacin and thiram, as representative of harmful and toxic pollutants.
Design and applications of morphing aircraft and their structures
Authors: Zhu Jihong , Yang Jiannan , Zhang Weihong , Gu Xiaojun , Zhou Han 
Published: August 2023

AbstractMorphing aircraft can adaptively regulate their aerodynamic layout to meet the demands of varying flight conditions, improve their aerodynamic efficiency, and reduce their energy consumption. The design and fabrication of high-performance, lightweight, and intelligent morphing structures have become a hot topic in advanced aircraft design. This paper discusses morphing aircraft development history, structural characteristics, existing applications, and future prospects. First, some conventional mechanical morphing aircraft are examined with focus on their morphing modes, mechanisms, advantages, and disadvantages. Second, the novel applications of several technologies for morphing unmanned aerial vehicles, including additive manufacturing for fabricating complex morphing structures, lattice technology for reducing structural weight, and multi-mode morphing combined with flexible skins and foldable structures, are summarized and categorized. Moreover, in consideration of the further development of active morphing aircraft, the paper reviews morphing structures driven by smart material actuators, such as shape memory alloy and macro-fiber composites, and analyzes their advantages and limitations. Third, the paper discusses multiple challenges, including flexible structures, flexible skins, and control systems, in the design of future morphing aircraft. Lastly, the development and application of morphing structures in the aerospace field are discussed to provide a reference for future research and engineering applications.