bluuebunny/crossref_metadata_2025_split huggingface dataset:
Population Pharmacokinetic Modeling of Adavosertib (AZD1775) in Patients with Solid Tumors
Authors: Johnson Martin , Kaschek Daniel , Ghiorghiu Dana , Lanke Shankar , Miah Kowser , Schmidt Henning , Mugundu Ganesh M. 
Published: July 2024

AbstractAdavosertib (AZD1775) is a potent small‐molecule inhibitor of Wee1 kinase. This analysis utilized pharmacokinetic data from 8 Phase I/II studies of adavosertib to characterize the population pharmacokinetics of adavosertib in patients (n = 538) with solid tumors and evaluate the impact of covariates on exposure. A nonlinear mixed‐effects modeling approach was employed to estimate population and individual parameters from the clinical trial data. The model for time dependency of apparent clearance (CL) was developed in a stepwise manner and the final model validated by visual predictive checks (VPCs). Using an adavosertib dose of 300 mg once daily on a 5 days on/2 days off dosing schedule given 2 weeks out of a 3‐week cycle, simulation analyses evaluated the impact of covariates on the following exposure metrics at steady state: maximum concentration during a 21‐day cycle, area under the curve (AUC) during a 21‐day cycle, AUC during the second week of a treatment cycle, and AUC on day 12 of a treatment cycle. The final model was a linear 2‐compartment model with lag time into the dosing compartment and first‐order absorption into the central compartment, time‐varying CL, and random effects on all model parameters. VPCs and steady‐state observations confirmed that the final model satisfied all the requirements for reliable simulation of randomly sampled Phase I and II populations with different covariate characteristics. Simulation‐based analyses revealed that body weight, renal impairment status, and race were key factors determining the variability of drug‐exposure metrics.
Application of in vivo reflectance confocal microscopy in the diagnosis of Bowen's disease
Authors: Ding Shu , Hu Lingxue , Rao Yu , Ren Ruijian , Tong Xiaoliang , Guo Aiyuan , Huang Jian , Tang Zhen 
Published: July 2024

AbstractBowen's disease (BD) is a relatively rare early‐stage squamous cell carcinoma in situ, most commonly affecting the middle‐aged and elderly, and occurring on the skin or mucous membranes of various parts of the body. Its onset is concealed, the course of the disease is chronic, and some patients have malignant tumors outside the skin; therefore, it is necessary to diagnose and evaluate the disease at an early stage. This study aimed to investigate the application of reflectance confocal microscopy (RCM) in the diagnosis of BD. We performed RCM imaging on the lesion site and underwent skin biopsy for histological diagnosis of 92 patients initially diagnosed with BD in clinic. A retrospective analysis of the RCM result as well as the histological examination revealed that after analyzing RCM images, out of 92 biopsy lesions, 61 were diagnosed with BD, of which 54 were consistent with RCM diagnosis. Among the 59 cases diagnosed with BD by RCM, 54 cases were consistent with the histological diagnosis. Afterwards, we analyzed the RCM characteristics in patients with BD verified by biopsy, and compared the RCM images of two different lesions, classic Bowen's disease and pigmented Bowen's disease, and further summarized the key points of BD under RCM. Finally, we focused on the differential characteristics between BD and other skin diseases in RCM. RCM is of great value in the diagnosis of BD.Research Highlights
A retrospective study of RCM and histological diagnosis in patients with clinical diagnosis of BD.
Analyze the RCM characteristics of skin lesions verified by biopsy.
RCM is of great value in the diagnosis and differentiation of BD.
Relationship between Salmonella enterica attachment and leaf hydrophobicity, roughness, and epicuticular waxes: a focus on 30 baby‐leaf salads
Authors: Truschi Stefania , Marini Lorenzo , Cacciari Ilaria , Baldi Ada , Bruschi Piero , Lenzi Anna , Baales Johanna , Zeisler‐Diehl Viktoria V. , Schreiber Lukas , Marvasi Massimiliano 
Published: July 2024

AbstractBACKGROUNDThe first step in the contamination of leafy vegetables by human pathogens is their attachment to the leaf surface. The success of this is influenced strongly by the physical and chemical characteristics of the surface itself (number and size of stomata, presence of trichomes and veins, epicuticular waxes, hydrophobicity, etc.). This study evaluated the attachment of Salmonella enterica to 30 baby‐leaf salads and tested whether the differences found among them were related to the following leaf traits: hydrophobicity, roughness, and epicuticular waxes.RESULTSDifferences in susceptibility to contamination by S. enterica were found between the 30 baby‐leaf salads investigated. The lowest attachment was found in wild lettuce (Lactuca serriola L.) and lamb's lettuce ‘Trophy F1’ (Valerianella locusta [L.] Laterr.), with values of 1.63 ± 0.39 Log(CFU/cm2) and 1.79 ± 0.54 Log(CFU/cm2), respectively. Attachment was correlated with hydrophobicity (measured as contact angle) (r = −0.39) and epicuticular waxes (r = −0.81) but not with roughness (r = 0.24). The most important wax components for attachment were alcohols and, in particular, the three‐dimensional (3D) wax crystals of C26 alcohol, but fatty acids probably also had a role. Both these compounds increased hydrophobicity. The presence of thymol, whose antimicrobial properties are well known, was found in lamb's lettuce.CONCLUSIONSThe findings of this study can help to predict and control the attachment and contamination of leafy salads by enterobacteria. They also provide useful information for breeding programs aiming to develop cultivars that are less susceptible to human pathogens, enhancing the food safety of vegetables. © 2024 The Author(s). Journal of the Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Optimization of cold chain logistics distribution paths for community buying considering cost and time window: The case of J Center
Authors: Feng Qun , Hua Wei , Chen Chuanhao , Shi Xuejun , Ma Junyun 
Published: July 2024

AbstractIn recent years, the community group buying market has been developing rapidly, and the group buying categories are mainly fresh food, so one of the keys to the success of the community group buying platform lies in the supply chain logistics, in which the cold chain logistics is the key to guarantee the fresh food products for the time and quality. In this paper, on the combing research of the theories and problems of community group purchase, cold chain logistics, and vehicle path planning, in view of the existing problems of cold chain logistics and distribution business in Jinan distribution center of J company's community group purchase, taking into account the actual demand of the grid station and the characteristics of the fresh products to be stored at low temperatures, we constructed the optimization model of the cold chain logistics and distribution path that minimizes the total cost under the demand of the fuzzy time window of the grid station, and designed the distribution area is divided by using K‐means clustering, and then, the distribution path in each sub‐distribution area is optimized and solved by genetic algorithm, and then, the validity of the optimization scheme is verified, the number of distribution trucks used is reduced by two, and the distribution cost is reduced by 12.77%, and optimization measures such as promoting the standardization of warehousing and distribution, and creating a digital and integrated logistics information platform are proposed.
Looking beyond LCI: Multiple breath washout phase III slope derived indices and their application in chronic respiratory disease in children
Authors: Riley Mollie , Arigliani Michele , Davies Gwyneth , Aurora Paul 
Published: July 2024

AbstractThe multiple breath washout (MBW) test is widely reported in the context of Lung Clearance Index (LCI). LCI reflects global ventilation inhomogeneity but does not provide information regarding the localization of disease along the respiratory tree. The MBW‐derived normalized phase III slope (SnIII) indices (Scond and Sacin), instead, can distinguish between convective‐dependent and diffusion‐convection‐dependent ventilation inhomogeneity considered to occur within the conductive and acinar airways, respectively. In cystic fibrosis, Scond tends to become abnormal even earlier than LCI and spirometry. The value of Scond and Sacin in clinical practice has been recently explored in other respiratory conditions, including asthma, primary ciliary dyskinesia, bronchopulmonary dysplasia, bronchiolitis obliterans, and sickle cell disease. In this narrative review we offer an overview on the theoretical background, potentialities, and limitations of SnIII analysis in children, including challenges and feasibility aspects. Moreover, we summarize current evidence on the use of SnIII‐derived indices across different groups of pediatric chronic respiratory disease and we highlight the gaps in knowledge that need to be addressed in future studies.
Evidence of isochorismate channeling between the Escherichia coli enterobactin biosynthetic enzymes EntC and EntB
Authors: Bin Xue , Pawelek Peter D. 
Published: July 2024

AbstractEnterobactin is a high‐affinity iron chelator produced and secreted by Escherichia coli and Salmonella typhimurium to scavenge scarce extracellular Fe3+ as a micronutrient. EntC and EntB are the first two enzymes in the enterobactin biosynthetic pathway. Isochorismate, produced by EntC, is a substrate for EntB isochorismatase. By using a competing isochorismate‐consuming enzyme (the E. coli SEPHCHC synthase MenD), we found in a coupled assay that residual EntB isochorismatase activity decreased as a function of increasing MenD concentration. In the presence of excess MenD, EntB isochorismatase activity was observed to decrease by 84%, indicative of partial EntC‐EntB channeling (16%) of isochorismate. Furthermore, addition of glycerol to the assay resulted in an increase of residual EntB isochorismatase activity to approximately 25% while in the presence of excess MenD. These experimental outcomes supported the existence of a substrate channeling surface identified in a previously reported protein‐docking model of the EntC‐EntB complex. Two positively charged EntB residues (K21 and R196) that were predicted to electrostatically guide negatively charged isochorismate between the EntC and EntB active sites were mutagenized to determine their effects on substrate channeling. The EntB variants K21D and R196D exhibited a near complete loss of isochorismatase activity, likely due to electrostatic repulsion of the negatively charged isochorismate substrate. Variants K21A, R196A, and K21A/R196A retained partial EntB isochorismatase activity in the absence of EntC; in the presence of EntC, isochorismatase activity in all variants increased to near wild‐type levels. The MenD competition assay of the variants revealed that while K21A channeled isochorismate as efficiently as wild‐type EntB (~ 15%), the variants K21A/R196A and R196A exhibited an approximately 5‐fold loss in observed channeling efficiency (~3%). Taken together, these results demonstrate that partial substrate channeling occurs between EntC and EntB via a leaky electrostatic tunnel formed upon dynamic EntC‐EntB complex formation and that EntB R196 plays an essential role in isochorismate channeling.
Constrained model predictive control for networked jump systems under denial‐of‐service attacks and time delays
Authors: Qiu Li , Chen Runjie , Lin Shaolie , Liu Xueliang , Najariyan Marzieh 
Published: July 2024

AbstractThis article addresses the problem of model predictive control of networked jump systems in the presence of DoS attacks and time delays. In the structural framework of the network predictive control system, we mathematically model the networked jump system by using Markov chains to describe the time delays and a polytope model to describe the jump system phenomenon, considering the properties of DoS attacks and time delays. Based on this, we propose a strategy to lessen the effect of network constraints on the control performance of the system. This strategy involves the corresponding control inputs from the control sequence for real‐time active compensation. It includes adjusting the control sequence application length variation based on the duration of the DoS attacks and time delays at each moment. In addition, we demonstrate the recursive feasibility of the control strategy and the global asymptotic stability of the control system from a theoretical perspective through the Lyapunov stability theory. Finally, the effectiveness of the proposed strategy is verified by simulation arithmetic.
A differentiable dynamic modeling approach to integrated motion planning and actuator physical design for mobile manipulators
Authors: Lu Zehui , Wang Yebin 
Published: July 2024

AbstractThis paper investigates the differentiable dynamic modeling of mobile manipulators to facilitate efficient motion planning and physical design of actuators, where the actuator design is parameterized by physically meaningful motor geometry parameters. The proposed differentiable modeling comprises two major components. First, the dynamic model of the mobile manipulator is derived, which differs from the state‐of‐the‐art in two aspects: (1) the model parameters, including magnetic flux, link mass, inertia, and center‐of‐mass, are represented as analytical functions of actuator design parameters; (2) the dynamic coupling between the base and the manipulator is captured. Second, the state and control constraints, such as maximum angular velocity and torque capacity, are established as analytical functions of actuator design parameters. This paper further showcases two typical use cases of the proposed differentiable modeling work: integrated locomotion and manipulation planning; simultaneous actuator design and motion planning. Numerical experiments demonstrate the effectiveness of differentiable modeling. That is, for motion planning, it can effectively reduce computation time as well as result in shorter task completion time and lower energy consumption, compared with an established sequential motion planning approach. Furthermore, actuator design and motion planning can be jointly optimized toward higher performance.
Dynamics identification‐driven diving control for unmanned underwater vehicles
Authors: Zhong Yiming , Yu Caoyang , Xiang Xianbo , Lian Lian 
Published: July 2024

AbstractThis paper presents a comprehensive study of dynamics identification‐driven diving control for unmanned underwater vehicles (UUVs). Initially, a diving dynamics model of UUVs is established, serving as the foundation for the development of subsequent algorithms. A noise‐reduction least squares (NRLS) algorithm is then derived for parameter identification, demonstrating convergence under measurement noise from a probabilistic perspective. A notable feature of this algorithm is its skill in correcting raw data, thereby improving parameter identification accuracy. Based on the identified model, an improved fast terminal sliding mode control (FTSMC) algorithm is introduced for diving control, consistently ensuring rapid convergence under 16 scenarios. Importantly, the proposed diving control algorithm effectively mitigates chattering by incorporating a dedicated filter, adaptively adjusting the switching gain, and substituting saturation function for sign function. Through experimental validation, the NRLS algorithm's advantage over the traditional least squares method becomes evident, with depth errors consistently below 3.5 cm. This indicates that the identified model closely aligns with the actual model, showcasing a commendable fit. Additionally, when compared to the traditional sliding mode controller and the proportional‐integral‐derivative algorithm, the FTSMC algorithm has superior performance, as indicated by a mean absolute percentage error consistently below 4%.
Self‐Consistent Thermodynamics and Dynamics during Polymer Glass Transitions
Authors: Liu Kun , Xu Shisen , Tian Ming , Ren Yongqiang , Mi. Jianguo 
Published: July 2024

AbstractThe mechanisms behind the polymer glass transition, though not fully elucidated, have garnered significant attention. The Locally Correlated Lattice (LCL) theory [R. P. White, J. E. Lipson, Macromolecules 2016, 49, 3987] provides a novel perspective on free volume and establishes the relationship between polymer glass transition and free volume. In this study, we present a dynamic theoretical model based on the thermodynamic LCL theory, focusing on the kinetic evolution of free volume during polymer glass transition. Our analysis simultaneously examines the segmental diffusion coefficient, dynamic correlation length, free volume, and isobaric heat capacity. The results indicate that, upon reaching a critical temperature, heterogeneous dynamics and singular thermodynamics emerge concurrently. This study establishes a comprehensive correlation between thermodynamic singularities and dynamic inhomogeneities, offering valuable insights into the polymer glass transition process.
Flexocatalysis Enhances Tumor Photodynamic Therapy
Authors: Li Anshuo , Xu Liuyang , Jia Yanmin , Yuan Meng , Zhang Jinhui , Liu Hengrui , Liu Shiqi , Zhu Yuhui , Wei Xindi , Tu Wenkang , He Yuchu , Ni Song , Jiang Xinquan , Zhang Xuwu 
Published: July 2024

AbstractPhotodynamic therapy (PDT) is long‐standing suffered from elevated tumor interstitial fluid pressure (TIFP) and prevalent hypoxic microenvironment within the solid malignancies. Herein, sound‐activated flexocatalysis is developed to overcome the dilemma of PDT through both enhancing tumor penetration of photosensitizers by reducing TIFP and establishing an oxygen‐rich microenvironment. In detail, a Schottky junction is constructed by flexocatalyst MoSe2 nanoflowers and Pt. Subsequently, the Schottky junction is loaded with the photosensitizer indocyanine green (ICG) and encapsulated within tumor cytomembrane to constitute a bionic‐flexocatalytic nanomedicine (MPI@M). After targeting the tumor, MPI@M orchestrates flexocatalytic water splitting in tumor interstitial fluid under acoustic stimulation to lower TIFP, which boosted the tumor penetration of ICG. Concurrently, the oxygen released from the flexocatalytic water splitting overcomes the limitation of hypoxia against PDT. Furthermore, superfluous singlet oxygen generated by PDT can induce mitochondrial dysfunction for further tumor cell apoptosis. After 60 min of flexocatalysis, both the 30% decrease of TIFP and the relieved tumor hypoxia are observed, significantly promoting the therapeutic effect of PDT. Consequently, MoSe2/Pt junction nanoflowers, with the excellent flexocatalytic performance, hold significant potential for future applications in biocatalytic cancer therapies.
Nanometric‐Mapping and In Situ Quantification of Site‐specific Photoredox Activities on 2D Nanoplates
Authors: Wu Shuyang , Lee Jinn‐Kye , Zhang Zhengyang 
Published: July 2024

AbstractDefective layered bismuth oxychloride (BiOCl) exhibits excellent photocatalytic activities in water purification and environmental remediation. Herein, in situ single‐molecule fluorescence microscopy is used to spatially resolve the photocatalytic heterogeneity and quantify the photoredox activities on individual structural features of BiOCl. The BiOCl nanoplates with respective dominant {001} and {010} facets (BOC‐001 and BOC‐010) are fabricated through tuning the pH of the solution. The corner position of BOC‐001 exhibits the highest photo‐oxidation turnover rate of 262.7 ± 30.8 s−1 µm−2, which is 2.1 and 65.7 times of those of edges and basal planes, respectively. A similar trend is also observed on BOC‐010, which can be explained by the heterogeneous distribution of defects at each structure. Besides, BOC‐001 shows a higher photoredox activity than BOC‐010 at corners and edges. This can be attributed to the superior charge separation ability, active high‐index facets of BOC‐001, and its co‐exposure of anisotropic facets steering the charge flow. Therefore, this work provides an effective strategy to understand the facet‐dependent properties of single‐crystalline materials at nanometer resolution. The quantification of site‐specific photoredox activities on BiOCl nanoplates sheds more light on the design and optimization of 2D materials at the single‐molecule level.
Pressure‐Induced Re‐Entrant Superconductivity in Transition Metal Dichalcogenide TiSe2
Authors: Xia Wei , Wu Jiaxuan , Xia Chengliang , Li Zhongyang , Yuan Jian , An Chao , Liu Xiangqi , Wang Xia , Yu Na , Zou Zhiqiang , Liu Gang , Feng Jiajia , Zhang Lili , Dong Zhaohui , Chen Bin , Yang Zhaorong , Yu Zhenhai , Chen Hanghui , Guo Yanfeng 
Published: July 2024

AbstractTransition metal dichalcogenide TiSe2 exhibits a superconducting dome within a low pressure range of 2–4 GPa, which peaks with the maximal transition temperature Tc of ≈1.8 K. Here it is reported that applying high pressure induces a new superconducting state in TiSe2, which starts at ≈16 GPa with a substantially higher Tc that reaches 5.6 K at ≈21.5 GPa with no sign of decline. Combining high‐throughput first‐principles structure search, X‐ray diffraction, and Raman spectroscopy measurements up to 30 GPa, It is found that TiSe2 undergoes a first‐order structural transition from the 1T phase under ambient pressure to a new 4O phase under high pressure. Comparative ab initio calculations reveal that while the conventional phonon‐mediated pairing mechanism may account for the superconductivity observed in 1T‐TiSe2 under low pressure, the electron‐phonon coupling of 4O‐TiSe2 is too weak to induce a superconducting state whose transition temperature is as high as 5.6 K under high pressure. The new superconducting state found in pressurized TiSe2 requires further study on its underlying mechanism.
Advancements and Challenges in the Integration of Indium Arsenide and Van der Waals Heterostructures
Authors: Cheng Tiantian , Meng Yuxin , Luo Man , Xian Jiachi , Luo Wenjin , Wang Weijun , Yue Fangyu , Ho Johnny C. , Yu Chenhui , Chu Junhao 
Published: July 2024

AbstractThe strategic integration of low‐dimensional InAs‐based materials and emerging van der Waals systems is advancing in various scientific fields, including electronics, optics, and magnetics. With their unique properties, these InAs‐based van der Waals materials and devices promise further miniaturization of semiconductor devices in line with Moore's Law. However, progress in this area lags behind other 2D materials like graphene and boron nitride. Challenges include synthesizing pure crystalline phase InAs nanostructures and single‐atomic‐layer 2D InAs films, both vital for advanced van der Waals heterostructures. Also, diverse surface state effects on InAs‐based van der Waals devices complicate their performance evaluation. This review discusses the experimental advances in the van der Waals epitaxy of InAs‐based materials and the working principles of InAs‐based van der Waals devices. Theoretical achievements in understanding and guiding the design of InAs‐based van der Waals systems are highlighted. Focusing on advancing novel selective area growth and remote epitaxy, exploring multi‐functional applications, and incorporating deep learning into first‐principles calculations are proposed. These initiatives aim to overcome existing bottlenecks and accelerate transformative advancements in integrating InAs and van der Waals heterostructures.