bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development and application of a PBPK modeling strategy to support antimalarial drug development
Authors: Abla Nada , Howgate Eleanor , Rowland‐Yeo Karen , Dickins Maurice , Bergagnini‐Kolev Mackenzie C. , Chen Kuan‐Fu , McFeely Savannah , Bonner Jennifer J. , Santos Laura G. A. , Gobeau Nathalie , Burt Howard , Barter Zoe , Jones Hannah M. , Wesche David , Charman Susan A. , Möhrle Jörg J. , Burrows Jeremy N. , Almond Lisa M. 
Published: August 2023

AbstractAs part of a collaboration between Medicines for Malaria Venture (MMV), Certara UK and Monash University, physiologically‐based pharmacokinetic (PBPK) models were developed for 20 antimalarials, using data obtained from standardized in vitro assays and clinical studies within the literature. The models have been applied within antimalarial drug development at MMV for more than 5 years. During this time, a strategy for their impactful use has evolved. All models are described in the supplementary material and are available to researchers. Case studies are also presented, demonstrating real‐world development and clinical applications, including the assessment of the drug–drug interaction liability between combination partners or with co‐administered drugs. This work emphasizes the benefit of PBPK modeling for antimalarial drug development and decision making, and presents a strategy to integrate it into the research and development process. It also provides a repository of shared information to benefit the global health research community.
Comparing an imageless hand‐held robotic‐assisted system versus conventional technique for component positioning and early clinical outcomes in total knee arthroplasty
Authors: Hasegawa Masahiro , Hattori Yoshio , Naito Yohei , Tone Shine , Sudo Akihiro 
Published: August 2023

AbstractBackgroundThis study aimed to examine the component positioning and early clinical outcomes in total knee arthroplasty (TKA) using an imageless hand‐held robotic‐assisted system compared with those without robotics.MethodsComponent positioning, hip‐knee‐ankle angle (HKA), and clinical outcome 1‐year postoperatively were compared between 40 patients who underwent TKA with Navio (robot group) and 40 control patients who underwent TKA with a jig‐based technique (manual group). The clinical outcomes evaluated were range of motion and the 2011 Knee Society Score.ResultsImplantation errors in the coronal and sagittal alignments were significantly fewer in the robotic group than in the manual group. All knees in the robotic group achieved component positions within 3°. However, the HKA and clinical outcomes did not differ between the groups.ConclusionAlthough the accuracy of implantation in the robotic group was superior to that in the manual group, the clinical outcomes were similar.
Dynamic event‐triggered control for delayed switched neural networks: A merging signal scheme
Authors: Wang Ping , Wang Zhen , Huang Xia , Shen Hao 
Published: August 2023

AbstractThis paper investigates the asynchronous control of delayed switched neural networks via a dynamic event‐triggering mechanism (DETM) and a merging signal scheme. Firstly, an improved DETM is proposed through adding an exponential decaying term into the triggering condition, which is proved to have a larger lower bound by comparison with the static event‐triggering mechanism (SETM) and the existing DETM. Next, a merging signal is constructed by introducing a time‐varying delay to combine the system switching signal with the controller switching signal, which is convenient to deal with the synchronous and asynchronous switching in a unified framework. Then, the closed‐loop system which integrates the proposed DETM with the merging signal is formulated. Moreover, by constructing multiple time‐dependent Lyapunov functionals, sufficient conditions which ensure the asymptotical stability of the resulting closed‐loop system are derived, and a design algorithm for the feedback controller is designed consequently. Finally, the validity and superiority of the proposed results are demonstrated by numerical examples.
Bio‐fabricated ZnO Nanoparticles for Enhanced Photocatalytic Degradation of Methylene Blue and in vitro Antibacterial Activity
Authors: Sarangi Biswaprakash , Gourav Behuria Himadri , Behera Tankadhar , Kumar Prusty Sunil , Prabha Mishra Sneha , Behera Nabakrushna 
Published: August 2023

AbstractNovel bio‐fabricated ZnO nanoparticles were made from the solution of zinc nitrate in the presence of bio‐components of Jasminum grandiflorum L. The bio‐fabricated ZnO nanoparticles, represented as Jg‐ZnO NPs, were suitably characterized by several state‐of‐the‐art tools. The UV‐Vis absorption band at λmax=370 nm and the characteristic XRD peaks at appropriate positions suggest the formation of ZnO NPs. The XRD pattern revealed the formation of highly crystalline, hexagonal phase and impurity free Jg‐ZnO NPs. The presence of biomolecules on the surface of ZnO NPs was confirmed by FTIR spectral analysis. These NPs have hexagonal structures and flake‐like morphology as revealed by their TEM and SEM analysis, respectively. Further, the Jg‐ZnO NPs exhibit excellent photocatalytic activity against the MB dye under sunlight with a dye degradation efficiency of 99.8 %. Besides, the Jg‐ZnO NPs were also remarkably effective in inhibiting the growth of gram‐positive (S. aureus) as well as gram‐negative (P. aeruginosa and K. pneumoniae) pathogenic bacteria.
Seven Nuclei Cluster of Copper: Synthesis, Structure and Assembly
Authors: Wang Lin , Tang Xiongkai , Huo Rong , Xu Xiaoxuan , Xu Zhen , Li Simin , Jia Yanyuan , He Jinlu , Shen Hui 
Published: August 2023

AbstractThe determination of molecular and assembly structure of small clusters is a key step toward understanding the complicated nanostructures or even bulk materials. We report herein the synthesis, molecular structure, and assembly structure of novel copper clusters with seven nuclei. The clusters, with the total molecular formula of [Cu7Cl6(PPh3)7]+, has been obtained by (PPh3)2CuBH4‐mediated reduction of CuCl2 in one pot. Molecular structure of the clusters has been determined by X‐ray single crystal analysis, revealing a Cu7Cl6 metal core protected by phosphine ligands. Interestingly, the clusters are assembled as dimers in the unit cell, in which the cluster interacts with each other via π⋅⋅π interaction from the phenyl groups of the phosphine ligands. This work not only provides an atomically precise copper cluster that may find applications in future, but also reveals the assembly structure of the cluster at the atomic level thus shedding light on the structural dedication of larger nanostructures.
Preparation and characterization of polymeric Schiff's base for carbon dioxide adsorption
Authors: Siai Amira , Policicchio Alfonso , Alzahrani Abdullah Y. A. , Ahmed Zakarya , Charradi Khaled , Keshk Sherif M. A. S. , Chtourou Radhouane 
Published: August 2023

AbstractThe increasing concentration of carbon dioxide in the atmosphere poses significant challenges for its capture. Carbon dioxide emissions contribute substantially to the greenhouse effect, leading to detrimental effects on ecosystems and drastic climate change. In this study, we synthesized two polymeric Schiff's bases, by condensing partially oxidized polyvinyl alcohol (OPVA) with 1,2‐ethylene diamine and 1,6‐hexamethylene diamine. The formed Schiff's bases are abbreviated OPVA‐ED and OPVA‐HMD, respectively. OPVA was initially prepared through oxidation of polyvinyl alcohol using potassium permanganate. We investigated the potential of these Schiff's bases for CO2 adsorption. Structural elucidation of the Schiff's bases was conducted using Fourier transform infrared (FTIR), 1H nuclear magnetic resonance (NMR), and X‐ray diffraction (XRD) techniques. Thermogravimetric analysis (TGA) and gas adsorption experiments were employed to determine their physical properties. The capture and release of CO2 were evaluated at a temperature of 25 °C using these Schiff's bases as adsorbents. The findings indicate that OPVA‐ED exhibits superior CO2 adsorption capacity compared to OPVA‐HMD, with adsorption capacities of 0.22 mmol/g and 0.18 mmol/g at 15 bars for OPVA‐ED and OPVA‐HMD, respectively.
Catalytic Conversion of Lignin Model Compound and Kraft Lignin over Reduced Ru/C Catalyst
Authors: Pham Xuan‐Tien , Pham Thong Le Minh , Cao Xuan Thang , Vu Khanh B. , Tran Vy Anh , Garbarino Gabriella , Phung Thanh Khoa 
Published: August 2023

AbstractCatalytic conversion of lignin into valuable liquid products has been a promising approach. Herein, we reported the catalytic conversion of the lignin model compound and Kraft lignin over reduced Ru/C catalyst with different industrial organic solvents using a high‐pressure/ high‐temperature reactor in a nitrogen atmosphere. The results showed reduced Ru/C catalyst is stable for two runs and active for the conversion of the lignin model compound (2‐phenoxy‐1‐phenyl ethanol) with a breaking of the C−O ether bond at high temperature. In the case of Kraft lignin, 2‐butanol and ethanol were potential solvents for the lignin conversion. The Ru/C catalyst enhanced the conversion of lignin, and the highest Kraft lignin conversion (~68 %) was obtained by using ethanol solvent at 220 °C for 1 h reaction. The product distribution with most small phenolic compounds demonstrated the potential of Kraft lignin conversion over the Ru/C catalyst.
Synthesis of Two Types of 1,3‐Diarylpropane Derivatives by Cobalt‐Catalyzed Cycloaddition of 1,6‐Diynes
Authors: Ishida Kento , Mizusawa Shu , Nakamura Koji , Ogiwara Yohei , Sakai Norio 
Published: August 2023

AbstractThe development of the synthesis of 1,3‐diarylpropanes is important because some of them have been reported to have biological activities. We report herein the synthesis of two types of 1,3‐diarylpropane derivatives by using cobalt‐catalyzed cycloaddition of 1,6‐diynes. CoCl(PPh3)3‐catalyzed cyclotrimerization of 1,6‐diynes afforded a series of 1,3‐diarylpropane derivatives. Furthermore, double [4+2]‐cycloaddition between 1,6‐diynes and 1,3‐dienes proceeded in the presence of CoBr2−DPPE−Zn−ZnBr2, and the successive oxidation by 2,3‐dichloro‐5,6‐dicyano‐1,4‐benzoquinone (DDQ) afforded another type of 1,3‐diarylpropane derivatives.
YF3 with Nanostructure: A Rare Earth Metal Fluoride Anode for Lithium‐Ion Batteries
Authors: Jiao Ai‐Jun , Duan You‐Kang , Li Zhi‐Wei , Zhang Shi‐Chun , Su Tong , Zhang Zhi‐Hong , Fu Zhen‐Hai 
Published: August 2023

AbstractThe emergence of Li‐ion batteries provides a new path and scheme for carbon neutrality and carbon peak. The performance of lithium‐ion batteries is mainly determined by the electrode material. Among them, transition metal compounds have been widely studied in the anode and cathode materials of lithium‐ion batteries. Here, pure rare earth metal fluoride YF3 was synthesized by solvothermal method and subsequent calcination. The specific capacity of YF3 as a Li‐ion battery anode can increase from 29.3 mAh g−1 to 148.5 mAh g−1 after 1000 cycles at 0.1 A g−1, with a growth rate of up to 407 %. XPS and XRD tests confirmed that the lithium storage process was a typical conversion reaction. The successful application of YF3 in Li‐ion batteries provides a wider range for the selection of Li‐ion electrode materials and also provides a new idea for the exploration of new materials for lithium‐ion batteries.
Transformation of 2D Flakes to 3D Hollow Bowls: Matthew Effect Enables Defects to Prevail in Electromagnetic Wave Absorption of Hollow rGO Bowls
Authors: Zhao Biao , Li Ruosong , Men Qiaoqiao , Yan Zhikai , Lv Hualiang , Wu Le , Che Renchao 
Published: August 2023

AbstractHigh‐efficiency electromagnetic (EM) wave (EMW)‐absorbing materials have attracted extensive scientific and technical interest. Although identifying the dominant EM loss mechanism in dielectric‐loss materials is indispensable, it is challenging due to a complex synergism between dipole/interfacial polarization and conduction loss. Modulation of defects and microstructures can be a possible approach to determine the dominant EM loss mechanism and realize high‐efficiency absorption. Herein, 2D reduced graphene oxide (rGO) flakes are integrated into a 3D hollow bowl‐like structure, which increases defect sites (i.e., oxygen vacancy and lattice defect) and reduces the stacked thickness of rGO. Despite their lower stacked thicknesses, the hollow rGO bowls with more defects exhibit lower conductivities but higher permittivities. Accompanied by the transformation from 2D flakes to 3D hollow bowls, the dominant EM loss mechanism of rGO transforms from conduction loss to defect‐induced polarization. Furthermore, the defect engineering and structural design endow rGO with well‐matched impedance and strong EMW‐absorbing capacity. A minimum reflection loss of −41.6 dB (1.3 mm) and an effective absorption bandwidth of 4.8 GHz (1.5 mm) is achieved at a filler loading of 5 wt%. This study will provide meaningful insights into the development of materials with superior EMW‐absorbing performances via defect engineering and structural design.
Utilizing Topological Insulator Two‐Dimensional Bismuth for Ultrasensitive Acoustic Detection
Authors: Xiao Qi , Ma Bo , Wang Shu‐Yan , Li Xiang‐Yang , Yan Feng , Wang Qiang , Zhang Hao‐Li 
Published: August 2023

AbstractTopological insulators (TIs) are characterized by a full insulating gap in the bulk and gapless edge or surface states, which have attracted tremendous attention. 2D Bi (110), as a typical TI, is of particular interest due to its low symmetry structure and topologically protected and spin‐momentum‐locked Dirac surface states. However, the material's potential applications are hindered by difficulties in fabrication, due to its strong semi‐metallic bonding and poor stability. In this study, a novel electrochemical intercalation method for the fabrication of ultrathin Bi (110) nanosheets with the highest yield ever reported is presented. These nanosheets are stabilized through cathodic exfoliation in a reductive environment and further modification with polymer ionic liquids. The versatility of these nanosheets is demonstrated by fabricating flexible acoustic sensors with ultrahigh sensitivity. These sensors can even detect sounds as quiet as 45 dB. Furthermore, these sensors are utilized for acoustic‐to‐electric energy conversion and information transfer. This work offers a promising approach for scalable fabrication and preservation of ultrathin 2D TI Bi (110) nanosheets and paves the way for their integration into smart devices.
Construction of cardiac fibrosis for biomedical research
Authors: Shang Yixuan , Liu Rui , Gan Jingjing , Yang Yuzhi , Sun Lingyun 
Published: August 2023

AbstractCardiac remodeling is critical for effective tissue recuperation, nevertheless, excessive formation and deposition of extracellular matrix components can result in the onset of cardiac fibrosis. Despite the emergence of novel therapies, there are still no lifelong therapeutic solutions for this issue. Understanding the detrimental cardiac remodeling may aid in the development of innovative treatment strategies to prevent or reverse fibrotic alterations in the heart. Further combining the latest understanding of disease pathogenesis with cardiac tissue engineering has provided the conversion of basic laboratory studies into the therapy of cardiac fibrosis patients as an increasingly viable prospect. This review presents the current main mechanisms and the potential tissue engineering of cardiac fibrosis. Approaches using biomedical materials‐based cardiac constructions are reviewed to consider key issues for simulating in vitro cardiac fibrosis, outlining a future perspective for preclinical applications.
Investigating practical wisdom in complex system management: What is it and how do we get more?
Authors: Hallo Leonie , Nguyen Tiep , Chileshe Nicholas 
Published: August 2023

AbstractSystems are now extremely complex with the continuous involvement of multiple stakeholders and rapidly advancing technology, and a new way of viewing high‐performance system management and decision‐making is needed. This paper considers the use of practical wisdom as a promising way of revitalising system management to improve the success rate in making critical decisions. Practical wisdom has been investigated as a useful approach in many fields, including philosophy, psychology, health, education and organisation studies: however, its application to system management is sparse. Questionnaires were sent to 124 manager participants to assess their view of the importance of various practical wisdom attributes as these relate to system management success. Applying the exploratory factor analysis technique emerged the following factors: (1) practical mindset; (2) stakeholder mindset; (3) moral mindset; (4) win‐win mindset; and (5) holistic thinking mindset. Two of these factors, stakeholder mindset and win‐win mindset, have not previously emerged in practical wisdom research. The factors extracted were validated via both technical techniques and considered commentary by senior leadership practitioners. The results of this study can assist managers to develop greater insight into optimal management of increasingly complex systems via consideration of these practical wisdom factors and the interplay between them.
Morphological, Thermal, and Cytotoxicity Features Assessment of Starch–Myristic Acid Complex‐Derived Nanostructured Materials
Authors: Almushawah Mushawah Abdullah , Periasamy Vaiyapuri Subbarayan , Athinarayanan Jegan , Alhussain Maha , Alwarthan Abdulrahman , Alshatwi Ali A. 
Published: August 2023

AbstractThe present study investigates the morphological and cytotoxic properties of starch–myristic acid complex (SMC) derivatives. The study attempts to prepare a SMC by frying. By liquid–liquid extraction, starch–myristic acid complex nanostructured materials are isolated. X‐ray diffractometry and transmission electron microscopy are used to determine the morphology and crystallization of the extract. The study performs various assays to assess the toxicological profile of starch–myristic acid complex‐derived nanostructured materials (SMC‐NMs), including cellular viability tests, cellular and nuclear morphological examinations, mitochondrial membrane potential (MMP), and intracellular reactive oxygen species (ROS) measurements. Transmission electron microscopy (TEM) images reveal nanoscale particles between 30 and 90 nm in water fraction‐based SMC‐NMs (WSMC‐NMs) and 160 and 250 nm in methanol fraction‐based SMC‐NMs (MSMC‐NMs). The WSMC‐NMs and MSMC‐NMs decrease the cell viability by 77% and 91% at 250 µg mL−1, respectively. The SMC‐NMs enhance necrotic cell death by increasing the level of ROS in human mesenchymal stem cells (hMSCs). The SMC‐NMs alter gene expression within 24 h. Gene expression of GSTM3 and GSR has explicitly upregulated in a dose‐dependent manner in WSMC‐NMs and MSMC‐NMs exposed cells. The study finds that nanoscale particles may develop during cooking, increasing the risk of diabetes, cardiovascular diseases, and obesity.
Minimising conflicts among run‐time non‐functional requirements within DevOps
Authors: Das Souvick , Deb Novarun , Chaki Nabendu , Cortesi Agostino 
Published: August 2023

AbstractSignificant contributions in the existing literature highlight the potential of softgoal interdependency graphs towards analyzing conflicting non‐functional requirements (NFRs). However, such analysis is often at a very abstract level and does not quite consider the run‐time performance statistics of NFR operationalizations. On the contrary, some initial empirical evaluations demonstrate the importance of the run‐time statistics. In this paper, a framework is proposed that uses these statistics and combines the same with NFR priorities for computing the impact of NFR conflicts. The proposed framework is capable of identifying the best possible set of NFR operationalizations that minimizes the impact of conflicting NFRs. A detailed space analysis of the solution framework helps proving the efficiency of the proposed pruning mechanism in terms of better space management. Furthermore, a Dynamic Bayesian Network (DBN) ‐ based system behavioral model that works on top of the proposed framework, is defined and analyzed. An appropriate tool prototype for the framework is implemented as part of this research.
Tau as a diagnostic instrument in clinical trials to predict amyloid in Alzheimer's disease
Authors: Shcherbinin Sergey , Morris Amanda , Higgins Ixavier A. , Tunali Ilke , Lu Ming , Deveau Carmen , Southekal Sudeepti , Kotari Vikas , Evans Cynthia D. , Arora Anupa K. , Collins Emily C. , Pontecorvo Michael , Mintun Mark A. , Sims John R. 
Published: August 2023

AbstractINTRODUCTIONAlzheimer's disease (AD) is characterized by the presence of both amyloid and tau pathology. In vivo diagnosis can be made with amyloid and tau positron emission tomography (PET) imaging. Emergent evidence supports that amyloid and tau accumulation are associated and that amyloid accumulation may precede that of tau. This report further investigates the relationship between amyloid and tau to assess whether elevated cortical tau can predict elevated amyloid in participants with early symptomatic AD.METHODSFlorbetapir F18 and flortaucipir F18 uptake were evaluated from baseline PET scans collected in three multi‐center studies with cognitively impaired participants, including A05 (N = 306; NCT02016560), TB (N = 310; TRAILBLAZER‐ALZ; NCT03367403), and TB2 (N = 1165; TRAILBLAZER‐ALZ 2; NCT04437511). Images were assessed using visual and quantitative approaches to establish amyloid (A+) and tau (T+) positivity, as well as a combination method (tauVQ) to establish T+. Associations between global amyloid and tau were evaluated with positive and negative predictive values (PPV, NPV) and likelihood ratios (LR+, LR–). Predictive values within subgroups according to ethnicity, race, cognitive score, age, and sex were also evaluated. The relationship between regional tau (four target and two reference regions were tested) and global amyloid was investigated in A05 participant scans using receiver‐operating characteristic (ROC) curves.RESULTSPPV for amyloid positivity was ≥93% for all three trials using various A+ and T+ definitions, including visual, quantitative, and combination methods. Population characteristics did not have an impact on A+ predictability. Regional analyses (early tau (Eτ) volume of interest (VOI), temporal, parietal, frontal) revealed significant area under the ROC curve in Eτ VOI compared to frontal region, regardless of reference region and consistent among visual and quantitative A+ definitions (p < 0.001).DISCUSSIONThese findings suggest that a positive tau PET scan is associated (≥93%) with amyloid positivity in individuals with early symptomatic AD, with the potential benefits of reducing clinical trial and health care expenses, radiation exposure, and participant time.Highlights
Positron emission tomography (PET) evaluates candidates for Alzheimer's disease (AD) research. A positive tau PET scan is associated (≥93%) with amyloid positivity.
A positive amyloid PET is not necessarily associated with tau positivity.
Tau PET could be the sole diagnostic tool to confirm candidates for AD trials.