bluuebunny/crossref_metadata_2025 huggingface dataset:
Coagulation Profiles in Humans Exposed to Exertional Hypobaric Decompression Stress Determined by Calibrated Automated Thrombogram
Authors: Madden Leigh A. , Vince Rebecca V. , Edwards Victoria C. , Lee Vivienne M. , Connolly Desmond M.
Published: October 2023

The blood coagulation response to decompression stress in humans has yet to be fully investigated. Here we utilised calibrated automated thrombogram (CAT) on samples from healthy volunteers exposed to decompression stress to investigate real-time thrombin generation. To induce decompression stress, fifteen apparently healthy males (age 20–50 yr) were exposed to two consecutive ascents to 25,000 ft for 60 min (1st ascent) and then 90 min (2nd ascent) while breathing 100% oxygen. Citrated blood samples were taken prior to exposure (T0), following the 2nd ascent (T8) and at 24 h (T24). Thrombin generation curves were obtained using ThrombinoscopeTM. Parameters determined were lag time (LAG), time to peak (TTP), peak thrombin (PEAK), endogenous thrombin potential (ETP) and velocity index (VEL). Of the 15 subjects, 12 had validated coagulation profiles. TTP and ETP showed no significant differences. However, there was a significant increase in VEL from T0 to T8 (p = 0.025) and from T8 to T24 (p = 0.043). A non-significant trend of an overall increase in PEAK was also observed from T0 to T8 (p = 0.069) and from T8 to T24 (p = 0.098). PEAK and VEL were found to be correlated. Taken together, these two parameters suggest an overall shift towards a more procoagulant profile following hypobaric stress.
Information Sources for Investment Decisions: Evidence from Japanese Investors
Authors: Lal Sumeet , Sulemana Abdul-Salam , Nguyen Trinh Xuan Thi , Khan Mostafa Saidur Rahim , Kadoya Yoshihiko
Published: October 2023

Although the traditional sources of financial knowledge in Japan are financial advisors and investment groups, the digital era and artificial intelligence have made other sources of information, such as social media and mass media, more influential. As such, it has become important to examine the socioeconomic, demographic, and psychological factors influencing the use of these information sources in the context of investment decisions. However, little research has been carried out to examine such associations using a large-scale nationwide dataset. We fill this gap by utilizing a dataset comprising almost 65,000 active investors from one of the largest online security companies in Japan, ensuring the representativeness and generalizability of our results. We show that active investors are more inclined to use social media and mass media than financial advisors and investment groups. The probit regression model shows that the use of each of the four sources of information is strongly shaped by an individual’s characteristics, which, to some extent, are not mutually exclusive for each source type. The study results imply that the government should regulate and monitor the quality and accuracy of the information disseminated by mass media and social media and educate investors on how to critically evaluate and verify the information that they receive.
Tumor Cell Resistance to the Inhibition of BRAF and MEK1/2
Authors: Chen Wenjing , Park Jong-In
Published: October 2023

BRAF is one of the most frequently mutated oncogenes, with an overall frequency of about 50%. Targeting BRAF and its effector mitogen-activated protein kinase kinase 1/2 (MEK1/2) is now a key therapeutic strategy for BRAF-mutant tumors, and therapies based on dual BRAF/MEK inhibition showed significant efficacy in a broad spectrum of BRAF tumors. Nonetheless, BRAF/MEK inhibition therapy is not always effective for BRAF tumor suppression, and significant challenges remain to improve its clinical outcomes. First, certain BRAF tumors have an intrinsic ability to rapidly adapt to the presence of BRAF and MEK1/2 inhibitors by bypassing drug effects via rewired signaling, metabolic, and regulatory networks. Second, almost all tumors initially responsive to BRAF and MEK1/2 inhibitors eventually acquire therapy resistance via an additional genetic or epigenetic alteration(s). Overcoming these challenges requires identifying the molecular mechanism underlying tumor cell resistance to BRAF and MEK inhibitors and analyzing their specificity in different BRAF tumors. This review aims to update this information.
RTAD: A Real-Time Animal Object Detection Model Based on a Large Selective Kernel and Channel Pruning
Authors: Liu Sicong , Fan Qingcheng , Zhao Chunjiang , Li Shuqin
Published: October 2023

Animal resources are significant to human survival and development and the ecosystem balance. Automated multi-animal object detection is critical in animal research and conservation and ecosystem monitoring. The objective is to design a model that mitigates the challenges posed by the large number of parameters and computations in existing animal object detection methods. We developed a backbone network with enhanced representative capabilities to pursue this goal. This network combines the foundational structure of the Transformer model with the Large Selective Kernel (LSK) module, known for its wide receptive field. To further reduce the number of parameters and computations, we incorporated a channel pruning technique based on Fisher information to eliminate channels of lower importance. With the help of the advantages of the above designs, a real-time animal object detection model based on a Large Selective Kernel and channel pruning (RTAD) was built. The model was evaluated using a public animal dataset, AP-10K, which included 50 annotated categories. The results demonstrated that our model has almost half the parameters of YOLOv8-s yet surpasses it by 6.2 AP. Our model provides a new solution for real-time animal object detection.
Applicability of Transition State Theory to the (Proton-Coupled) Electron Transfer in Photosynthetic Water Oxidation with Emphasis on the Entropy of Activation
Authors: Dau Holger , Greife Paul
Published: October 2023

Recent advancements in the study of the protein complex photosystem II have clarified the sequence of events leading to the formation of oxygen during the S3 → S4 → S0 transition, wherein the inorganic Mn4Ca(µ-O)6(OHx)4 cluster finishes photo-catalyzing the water splitting reaction (Greife et al., Nature 2023, 617, 623–628; Bhowmick et al., Nature 2023, 617, 629–636). During this final step, a tyrosine radical (TyrZ), stable for a couple of milliseconds, oxidizes a cluster-bound oxygen while the hydrogen bonding patterns of nearby waters shift a proton away. A treatment of this redox reaction within the context of accepted transition state theories predicts rate constants that are significantly higher than experimentally recovered values (1012 s−1 versus 103 s−1). In an effort to understand this disparity, temperature-dependent experiments have revealed large entropic contributions to the rates with only a moderate enthalpy of activation. We suggest that the entropic source may be related to the observed proton rearrangements, and further possible near isoenergetic variations in the nearby extended H-bonding network delaying the realization of an ‘ideal’ transition state. In the following, we explore this relation in the context of Eyring’s transition state theory and Marcus’ electron transfer theory and evaluate their compatibility with the experimental evidence.
Thiourea Derivative Metal Complexes: Spectroscopic, Anti-Microbial Evaluation, ADMET, Toxicity, and Molecular Docking Studies
Authors: Al-Halbosy Ahmed T. F. , Hamada Adnan A. , Faihan Ahmed S. , Saleh Abdulrahman M. , Yousef Tarek A. , Abou-Krisha Mortaga M. , Alhalafi Mona H. , Al-Janabi Ahmed S. M.
Published: October 2023

The treatment of N-Phenylmorpholine-4-carbothioamide (HPMCT) with bivalent metal ions in a 2:1 mol ratio without a base present affords [MCl2(κ1S-HPMCT)2] {M = Cu(1), Pd(2), Pt(3), and Hg(4)} in a good yield. Furthermore, the reaction of two equivalents of HPMCT and one equivalent of bivalent metal ions in the presence of Et3N has afforded [M(κ2S,N-PMCT)2] {M = Ni(5), Cu(6), Pd(7), Pt(8), Zn(9), Cd(10), and Hg(11)}. Infrared, 1H, 13C Nuclear Magnetic Resonance molar conductivity, and elemental analysis were used to characterize the synthesized complexes. The results suggest that HPMCT is bonded as monodentate via an S atom in Complexes (1–4), whereas linkage as a bidentate chelating ligand via S and N atoms gives two chelate rings. Moreover, the synthesized ligand and the complexes were screened for antibacterial activity, which displayed that the very best antibacterial activities for Complexes (1), (6), and (3). In addition, the cytotoxic activity of the HPMCT ligand, [PdCl2(HPMCT)2] (2), and [PtCl2(HPMCT)2] (3) were screened on breast cancer cell lines (MCF-7), and Complex (3) reveals the most promising activity with an IC50 value 12.72 ± 0.4 μM. Using the B3LYP method and 6-311++G(d,p) basis sets for the ligand and the SDD basis set for the central metal, the synthesized complexes utilizing the prepared ligand were optimized. Various quantum parameters such as hardness, electron affinity, dipole moment, vibrational frequencies, and ionization energy for the ligand and its complexes have been calculated. In general, a favorable agreement was found between the experimental results and the obtained theoretical results.
Hedinger Syndrome—Lessons Learnt: A Single-Center Experience
Authors: El Gabry Mohamed , Arends Sven , Shehada Sharaf-Eldin , Lahner Harald , Kamler Markus , Wendt Daniel , Spetsotaki Konstantina
Published: October 2023

Background: Hedinger syndrome (HS) or carcinoid heart disease (CD) is a rare and challenging manifestation of malignant neuroendocrine tumours (NETs) involving the heart. We aimed to report our experience with surgical strategies and midterm results in HS patients. Methods: Eleven patients (58 ± 11 (range 41 to 79 years); 5 females) with HS who underwent cardiac surgery in our department between 07/2005 and 05/2023 were analysed. Results: All patients showed a New York Heart Association (NYHA) class III–IV and in all the tricuspid valve (TV) was involved. Four patients received a TV replacement, and three TV reconstruction. Recently, to preserve the geometry and function of the compromised right ventricle (RV), we have applied the TV “bio-prosthesis in native-valve” implantation technique with the preservation of the valve apparatus (tricuspid valve implantation: TVI) in four cases. Concomitant procedures included pulmonary valve replacement in four, pulmonary implantation in one, and aortic valve replacement in three cases. To treat RV failure, we adapted a combined TandemHeart®-CytoSorb® haemoperfusion strategy in Patient #10 and venoarterial extracorporeal membrane oxygenation (V-A ECMO) support avoidance, after experiencing an ECMO-induced carcinoid-storm-related death in Patient #8. Mortality at 30 days was 18% (2/11). The median follow up was 2 ± 2.1 years (range 1 month to 6 years) with an overall mortality during the follow-up period of 72.7% (8/11). Conclusions: HS surgery, despite being a high-risk procedure, can efficiently prolong survival, and represents a safe and feasible procedure. However, patient selection seems to be crucial. Further follow up and larger cohorts are needed.
Is Bronchiectasis (BE) Properly Investigated in Patients with Severe Asthma? A Real-Life Report from Eight Italian Centers
Authors: Carpagnano Giovanna Elisiana , Quaranta Vitaliano Nicola , Crimi Claudia , Santus Pierachille , Menzella Francesco , Pelaia Corrado , Scioscia Giulia , Caruso Cristiano , Bargagli Elena , Scichilone Nicola , Polverino Eva
Published: October 2023

Introduction: Asthma and bronchiectasis are often partners in a complex but uneven relationship with asthma receiving more attention. The aim of this study is to describe how bronchiectasis is investigated in some Severe Asthma (SA) Centers, scattered throughout the Italian territory. Materials and Methods: We enrolled 92 patients with SA and bronchiectasis from eight Italian SA Centers and recorded diagnostic approaches to investigate SA and bronchiectasis at the time of enrollment (T0), at the 6-month (T1), and at the 12-month (T2) follow-up visits. Results: A statistically significant heterogeneous diagnostic approach emerged across the centers under study. In fact, while, as expected, all involved centers made an in-depth investigation of SA, only a few of them provided a complete investigation of bronchiectasis in order to provide specific treatment. Discussion: This real-life multicenter study confirmed that patients with coexistent SA and bronchiectasis are mainly investigated for pheno-endotyping asthma but rarely for the complete assessment of bronchiectasis. We believe that the diagnostic flowchart of SA patients with suspicion or confirmed bronchiectasis needs to be clarified and implemented as the association of these conditions strongly influences the final outcome and management of these patients.
Computed Tomography Imaging Features of Pulmonary Sequestration
Authors: Yang Tingqian , Wang Zhaoyu , Qiang Jun , Mao Qinxiang , Kong Shufeng , Sun Zhonghua , Li Yu
Published: October 2023

Background: Pulmonary sequestration (PS), generally diagnosed using computed tomography pulmonary angiography (CTPA), is a rare congenital developmental malformation of the lung that is characterized by nonfunctional lung tissue, independent of the normal lung tissue. This paper summarizes the imaging features of the supplying arteries and draining vessels in patients with PS with an aim to assist in timely clinical diagnosis and operation guidance. Materials and Methods: A total of 55 patients with PS diagnosed using CTPA from multiple clinical centers were retrospectively analyzed. Data included demographic characteristics, imaging features, disease location, isolation type, and the features of supplying and draining vessels, as shown on CTPA images. Results: Of the 55 patients reviewed, 3 (5.45%) were children, 3 (5.45%) were adolescents, and 49 (89.09%) were adults; the mean age was 44 years. Fifty-four (98.18%) patients had intralobar sequestration and one (1.82%) had extralobar sequestration. PS was noted 3.5 times more frequently in the left lower lobe than in the right lower lobe. For the supplying arteries, 47 (85.45%) were derived from the descending thoracic aorta, 1 (1.82%) from the abdominal aorta, 7 (12.73%) from the celiac axis, and 1 (1.82%) from the bronchial artery. The draining vessels were the pulmonary veins in 49 patients (89.09%), the umbilical vein in 1 (1.82%), the venae intercostal in 1 (1.82%), the pulmonary arteries in 11 (20.00%), and the vessels were not shown on the images in 2 patients (3.64%). Conclusion: Clinical presentations of PS are non-specific and can be easily missed or misdiagnosed. However, CTPA can help to improve the diagnostic accuracy and identify the supplying arteries and draining vessels, which significantly contribute to surgical planning.
Finite Element Simulation and Fretting Wear Prediction of a Tenon Connection Structure
Authors: Zhang Zexin , Zhao Guang , Yuan Yunbo , Zhang Hongxiao , Wu Yuping
Published: October 2023

A tenon connection structure is widely used for the blade-disk connection in turbomachinery, and its ability to resist wear influences operation life. The finite element method (FEM) has been extensively applied in predicting fretting wear due to its advantage in solving problems like the non-linearity of boundary conditions. This work proposes a model that combines a modified Archard model with FEM to simulate fretting wear in multiple pairs of contact curved surfaces of the tenon connection structure. The model considers various factors, including the direction of fretting, time, load magnitude, and the application of aerodynamic load. The results indicate that the direction of fretting has a significant effect on the wear of the tenon connection structure. The wear depth of the tenon connection structure caused by axial fretting is nearly twice that of circumferential and radial fretting, and the corresponding wear depth values are 57.22, 30.85, and 24.36 µm in this study, respectively, and the rate of change in wear depth increases over time, while the contact pressure decreases initially and then increases with continuous wear. This study provides valuable insight into the impact of fretting under different working conditions on the wear of turbine tenon connection structures, which is of great significance for their wear-resistant design and life prediction.
Nanofluids Minimal Quantity Lubrication Machining: From Mechanisms to Application
Authors: Chu Anxue , Li Changhe , Zhou Zongming , Liu Bo , Zhang Yanbin , Yang Min , Gao Teng , Liu Mingzheng , Zhang Naiqing , Dambatta Yusuf Suleiman , Sharma Shubham
Published: October 2023

Minimizing the negative effects of the manufacturing process on the environment, employees, and costs while maintaining machining accuracy has long been a pursuit of the manufacturing industry. Currently, the nanofluid minimum quantity lubrication (NMQL) used in cutting and grinding has been studied as a useful technique for enhancing machinability and empowering sustainability. Previous reviews have concluded the beneficial effects of NMQL on the machining process and the factors affecting them, including nanofluid volume fraction and nanoparticle species. Nevertheless, the summary of the machining mechanism and performance evaluation of NMQL in processing different materials is deficient, which limits preparation of process specifications and popularity in factories. To fill this gap, this paper concentrates on the comprehensive assessment of processability based on tribological, thermal, and machined surface quality aspects for nanofluids. The present work attempts to reveal the mechanism of nanofluids in processing different materials from the viewpoint of nanofluids’ physicochemical properties and atomization performance. Firstly, the present study contrasts the distinctions in structure and functional mechanisms between different types of base fluids and nanoparticle molecules, providing a comprehensive and quantitative comparative assessment for the preparation of nanofluids. Secondly, this paper reviews the factors and theoretical models that affect the stability and various thermophysical properties of nanofluids, revealing that nanoparticles endow nanofluids with unique lubrication and heat transfer mechanisms. Finally, the mapping relationship between the parameters of nanofluids and material cutting performance has been analyzed, providing theoretical guidance and technical support for the industrial application and scientific research of nanofluids.
Restorative Dental Resin Functionalized with Calcium Methacrylate with a Hydroxyapatite Remineralization Capacity
Authors: Zhang Xin , Zhang Yuxuan , Li Ying , Wang Xiaoming , Zhang Xueqin
Published: October 2023

The ability of dental materials to induce the mineralization of enamel like hydroxyapatite (HA) is of great importance. In this article, a novel kind of dental restorative material characterized by a mineralization ability was fabricated by photopolymerization. Calcium methacrylate (CMA) was introduced into the classical bisphenol A-glycidyl methacrylate (Bis-GMA) and triethylene glycol dimethacrylate (TEGDMA) dental resin formulation. This functional dental resin (BTCM) was calcium-rich and can be prepared simply by one-step photopolymerization. The influence of CMA on the photopolymerization kinetics, the dental resin’s mechanical properties, and its capacity to induce dynamic in situ HA mineralization were examined. Real-time FTIR, compression modulus, scanning electron microscopy, X-ray spectroscopy, MTT assay, and cell attachment test were carried out. The obtained data were analyzed for statistical significance using analysis of variance (ANOVA). Double bond conversion could be completed in less than 300 s, while the compression modulus of BTCM decreased with the increase in CMA content (30 wt%, 40 wt%, and 50 wt%). After being soaked in Ca(NO3)2 and Na2HPO4 solutions alternatively, dense HA crystals were found on the surface of the dental resin which contained CMA. The amount of HA increased with the increase in CMA content. The MTT results indicated that BTCM possesses good biocompatibility, while the cell adhesion and proliferation investigation demonstrated that L929 cells can adhere and proliferate well on the surface of BTM. Thus, our approach provides a straightforward, cost-effective, and environmentally friendly solution that has the potential for immediate clinical use.
Design, Modelling, and Control of Continuum Arms with Pneumatic Artificial Muscles: A Review
Authors: Sokolov Oleksandr , Hošovský Alexander , Trojanová Monika
Published: October 2023

In this research paper, we present a comprehensive analysis of the current state of soft robots actuated with pneumatic artificial muscles and emphasise their distinct advantages over rigid robots, including exceptional flexibility, adaptability, and safety. Our study explores the design principles of soft robots, drawing inspiration from biological systems and human hands, and identifies promising avenues for further development. The emergence of hybrid robots is also recognised as a significant advancement, particularly in scenarios requiring high precision. The article explores mathematical models encompassing kinematics, dynamics, and statics, as well as alternative model-free approaches. These theoretical frameworks are instrumental in understanding and manipulating the behaviour of soft robots. However, despite substantial progress, soft robots’ practical application and simulation face limitations, primarily due to the demanding requirements and implementation challenges associated with their deployment. Consequently, this paper highlights the need for continued research and advancements to bridge the gap between the theoretical potential and practical utilisation of soft robots.
Numerical Modeling of Elastic Wave Propagation in Porous Soils with Vertically Inhomogeneous Fluid Contents Due to Infiltration
Authors: Fomenko Sergey I. , Jana Raghavendra B. , Golub Mikhail V.
Published: October 2023

The structure of soils is often heterogeneous with layered strata having distinct permeabilities. An advanced mathematical and numerical coupled model of elastic wave propagation in poroelastic multi-layered soils subjected to subsoil water infiltration is proposed in this study. The coupled model was based on the introduction of an inhomogeneous functionally graded fluid-saturation of the considered soil depending on the infiltration time, which was evaluated employing Richards’ equation. The time-harmonic solution was formulated in terms of the Fourier transform of Green’s matrix and the surface load that excites the vibration. The convergence and efficiency of the proposed approach are demonstrated. An example of dispersion curves for partially saturated porous strata made of loam, sand, and rock at different infiltration times is provided, and it is shown that the characteristics of the surface acoustic waves change with time, which can be further used for inverse problems’ solution.
Study on Scheduling Problems with Learning Effects and Past Sequence Delivery Times
Authors: He Hongyu , Zhao Yanzhi , Ma Xiaojun , Lu Yuan-Yuan , Ren Na , Wang Ji-Bo
Published: October 2023

In this paper, we study a single-machine green scheduling problem with learning effects and past-sequence-dependent delivery times. The problem can be properly applied to tackle green manufacturing where production and delivery time are variable and highly subject to process-reengineering. Our goal is to determine the optimal sequence such that total weighted completion time and maximum tardiness are minimized. For the general case, we provide the analysis procedure of lower bound, and also propose the heuristic and branch-and-bound algorithms. Furthermore, computational experiments are conducted to demonstrate the effectiveness of our algorithms.
Effectiveness of Principal-Component-Based Mixed-Frequency Error Correction Model in Predicting Gross Domestic Product
Authors: Wang Yunxu , Su Chi-Wei , Zhang Yuchen , Lobonţ Oana-Ramona , Meng Qin
Published: October 2023

As an important indicator that can reflect a country’s macroeconomic situation and future trend, experts and scholars have long focused on analyses and predictions of gross domestic product (GDP). Combining principal component analysis (PCA), the mixed-frequency data sampling (MIDAS) model and the error correction model (ECM), this investigation constructs the principal-component-based ECM-MIDAS and co-integration MIDAS (CoMIDAS) models, respectively. After that, this investigation uses the monthly consumption, investment and trade data to build a mixed-frequency model to predict quarterly GDP. The empirical results can be summarized as follows: First, the predictive effectiveness of the mixed-frequency model is better than that of the same-frequency model. Second, the three variables have a strong correlation, and applying the principal component idea when modelling the same and mixed frequencies can lead to more favourable predictive effectiveness. Third, adding an error correction term to the principal-component-based mixed-frequency model has a significant coefficient and a higher predictive accuracy. Based on the above, it can be concluded that combining the MIDAS model with error correction and a principal component is effective; thus, this combination may be applied to support real-time and accurate macroeconomic prediction.
Two-Dimensional Equivalent Models in the Analysis of a Multibody Elastic System Using the Finite Element Analysis
Authors: Scutaru Maria Luminita , Vlase Sorin
Published: October 2023

Analytical mechanics provides methods for analyzing multibody systems with mathematically equivalent elastic elements. The paper analyzes several of these models, highlighting the advantages and disadvantages offered by each of these methods. The main methods used by the researchers are described in a unitary form, presenting the methods of obtaining the evolution equations in each of these cases, mentioning the strengths and weaknesses of each method. The equations of Lagrange, Gibbs–Appell, Kane, Maggi, and Hamilton are analyzed for the particular case of two-dimensional systems, which present certain particularities that facilitate the analysis.
On the Reliability of Machine Learning Models for Survival Analysis When Cure Is a Possibility
Authors: Ezquerro Ana , Cancela Brais , López-Cheda Ana
Published: October 2023

In classical survival analysis, it is assumed that all the individuals will experience the event of interest. However, if there is a proportion of subjects who will never experience the event, then a standard survival approach is not appropriate, and cure models should be considered instead. This paper deals with the problem of adapting a machine learning approach for classical survival analysis to a situation when cure (i.e., not suffering the event) is a possibility. Specifically, a brief review of cure models and recent machine learning methodologies is presented, and an adaptation of machine learning approaches to account for cured individuals is introduced. In order to validate the proposed methods, we present an extensive simulation study in which we compare the performance of the adapted machine learning algorithms with existing cure models. The results show the good behavior of the semiparametric or the nonparametric approaches, depending on the simulated scenario. The practical utility of the methodology is showcased through two real-world dataset illustrations. In the first one, the results show the gain of using the nonparametric mixture cure model approach. In the second example, the results show the poor performance of some machine learning methods for small sample sizes.
Genus Litophyton: A Hidden Treasure Trove of Structurally Unique and Diversely Bioactive Secondary Metabolites
Authors: Yan Xian-Yun , Zhang Ling , Yang Qi-Bin , Ge Zeng-Yue , Liang Lin-Fu , Guo Yue-Wei
Published: October 2023

Marine soft corals are prolific sources of various natural products that have served as a wealthy reservoir of diverse chemical scaffolds with potential as new drug leads. The genus Litophyton contains almost 100 species but only a small proportion of them has been chemically investigated, which calls for more attentions from global researchers. In the current work, 175 secondary metabolites have been discussed, drawing from published data spanning almost five decades, up to July 2023. The studied species of the genus Litophyton resided in various tropical and temperate regions and encompassed a broad range of biologically active natural products including terpenes, steroids, nitrogen-containing metabolites, lipids, and other metabolites. A wide spectrum of pharmacological effects of these compounds had been evaluated, such as cytotoxic, antiviral, antibacterial, antifungal, anti-malarial, antifeedant, anti-inflammatory, molluscicidal, PTP1B inhibitory, insect growth inhibitory, and neuroprotective activities. This review aims to offer an up-to-date survey of the literature and provide a comprehensive understanding of the chemical structures, taxonomical distributions, and biological activities of the reported metabolites from the title genus whenever available.
Is COPD the Determinant Factor for Myocardial Injury and Cardiac Wall Stress in OSA Patients?
Authors: Voulgaris Athanasios , Archontogeorgis Kostas , Apessos Ioulianos , Paxinou Nikoleta , Nena Evangelia , Steiropoulos Paschalis
Published: October 2023

Background and Objectives: Evidence shows that COPD-OSA overlap syndrome (OS) is more frequently accompanied by cardiovascular disease (CVD) in comparison to either disease alone. The aim of the study was to explore whether patients with OS have a higher burden of subclinical myocardial injury and wall stress compared with OSA patients. Materials and Methods: Consecutive patients, without established CVD, underwent polysomnography and pulmonary function testing, due to suspected sleep-disordered breathing. An equal number of patients with OS (n = 53, with an apnea hypopnea index (AHI) > 5/h and FEV1/FVC < 0.7) and patients with OSA (n = 53, AHI > 5/h and FEV1/FVC > 0.7) were included in the study. The detection of asymptomatic myocardial injury and wall stress was performed via the assessment of serum high-sensitivity cardiac troponin T (hs-cTnT) and N-terminal pro-B-type natriuretic peptide (NT-proBNP), respectively. Results: OS patients were older (p < 0.001) and had worse hypoxemic parameters, namely average oxyhemoglobin saturation (SpO2) (p = 0.002) and time spent with SpO2 < 90% (p = 0.003) during sleep as well as daytime pO2 (p < 0.001), than patients with OSA. No difference was observed between groups in terms of Epworth Sleepiness Scale (p = 0.432) and AHI (p = 0.587). Both levels of hs-cTnT (14.2 (9.1–20.2) vs. 6.5 (5.6–8.7) pg/mL, p < 0.001) and NT-proBNP (93.1 (37.9–182.5) vs. 19.2 (8.3–35.4) pg/mL, p < 0.001) were increased in OS compared to OSA patients. Upon multivariate linear regression analysis, levels of NT-proBNP and hs-cTnT correlated with age and average SpO2 during sleep. Conclusions: Our study demonstrated higher levels of hs-cTnT and NT-proBNP in OS patients, indicating an increased probability of subclinical myocardial injury and wall stress, compared with OSA individuals.
Colorectal Carcinomas: Searching for New Histological Parameters Associated with Lymph Node Metastases
Authors: Jurescu Aura , Văduva Adrian , Vița Octavia , Gheju Adelina , Cornea Remus , Lăzureanu Codruța , Mureșan Anca , Cornianu Marioara , Tăban Sorina , Dema Alis
Published: October 2023

Background and Objectives: Colorectal cancer (CRC) continues to be an essential public health problem. Our study aimed to evaluate the prognostic significance of classic prognostic factors and some less-studied histopathological parameters in CRC. Materials and Methods: We performed a retrospective study on 71 colorectal carcinoma patients who underwent surgery at the “Pius Brînzeu” County Clinical Emergency Hospital in Timișoara, Romania. We analyzed the classic parameters but also tumor budding (TB), poorly differentiated clusters (PDCs) of cells, tumor-infiltrating lymphocytes (TILs), and the configuration of the tumor border on hematoxylin–eosin slides. Results: A high degree of malignancy (p = 0.006), deep invasion of the intestinal wall (p = 0.003), an advanced stage of the disease (p < 0.0001), lymphovascular invasion (p < 0.0001), perineural invasion (p < 0.0001), high-grade TB (p < 0.0001), high-grade PDCs (p < 0.0001), infiltrative tumor border configuration (p < 0.0001) showed a positive correlation with lymph node metastases. Conclusions: The analyzed parameters positively correlate with unfavorable prognostic factors in CRC. We highlight the value of classic prognostic factors along with a series of less-known parameters that are more accessible and easier to evaluate using standard staining techniques and that could predict the risk of relapse or aggressive evolution in patients with CRC.
The Changes of Phyllosphere Fungal Communities among Three Different Populus spp.
Authors: Sun Zhuo , Zhang Weixi , Liu Yuting , Ding Changjun , Zhu Wenxu
Published: October 2023

As an ecological index for plants, the diversity and structure of phyllosphere microbial communities play a crucial role in maintaining ecosystem stability and balance; they can affect plant biogeography and ecosystem function by influencing host fitness and function. The phyllosphere microbial communities reflect the immigration, survival, and growth of microbial colonists, which are influenced by various environmental factors and leaves’ physical and chemical properties. This study investigated the structure and diversity of phyllosphere fungal communities in three different Populus spp., namely—P. × euramaricana (BF3), P. nigra (N46), and P. alba × P. glandulosa (84K). Leaves’ chemical properties were also analyzed to identify the dominant factors affecting the phyllosphere fungal communities. N46 exhibited the highest contents of total nitrogen (Nt), total phosphorus (Pt), soluble sugar, and starch. Additionally, there were significant variations in the abundance, diversity, and composition of phyllosphere fungal communities among the three species: N46 had the highest Chao1 index and observed_species, while 84K had the highest Pielou_e index and Simpson index. Ascomycota and Basidiomycota are the dominant fungal communities at the phylum level. Results from typical correlation analyses indicate that the chemical properties of leaves, especially total phosphorus (Pt), total nitrogen (Nt), and starch content, significantly impact the structure and diversity of the phyllosphere microbial community. However, it is worth noting that even under the same stand conditions, plants from different species have distinct leaf characteristics, proving that the identity of the host species is the critical factor affecting the structure of the phyllosphere fungal community.
Machine Learning in the Stochastic Analysis of Slope Stability: A State-of-the-Art Review
Authors: Xu Haoding , He Xuzhen , Shan Feng , Niu Gang , Sheng Daichao
Published: October 2023

In traditional slope stability analysis, it is assumed that some “average” or appropriately “conservative” properties operate over the entire region of interest. This kind of deterministic conservative analysis often results in higher costs, and thus, a stochastic analysis considering uncertainty and spatial variability was developed to reduce costs. In the past few decades, machine learning has been greatly developed and extensively used in stochastic slope stability analysis, particularly used as surrogate models to improve computational efficiency. To better summarize the current application of machine learning and future research, this paper reviews 159 studies of supervised learning published in the past 20 years. The achievements of machine learning methods are summarized from two aspects—safety factor prediction and slope stability classification. Four potential research challenges and suggestions are also given.
FT-MIR-ATR Associated with Chemometrics Methods: A Preliminary Analysis of Deterioration State of Brazil Nut Oil
Authors: da Silva Braian Saimon Frota , Ferreira Nelson Rosa , Alamar Priscila Domingues , de Melo e Silva Thiago , Pinheiro Wandson Braamcamp de Souza , dos Santos Lucely Nogueira , Alves Cláudio Nahum
Published: October 2023

Brazil nut oil is highly valued in the food, cosmetic, chemical, and pharmaceutical industries, as well as other sectors of the economy. This work aims to use the Fourier transform infrared (FTIR) technique associated with partial least squares regression (PLSR) and principal component analysis (PCA) to demonstrate that these methods can be used in a prior and rapid analysis in quality control. Natural oils were extracted and stored for chemical analysis. PCA presented two groups regarding the state of degradation, subdivided into super-degraded and partially degraded groups in 99.88% of the explained variance. The applied PLS reported an acidity index (AI) prediction model with root mean square error of calibration (RMSEC) = 1.8564, root mean square error of cross-validation (REMSECV) = 4.2641, root mean square error of prediction (RMSEP) = 2.1491, R2cal (calibration correlation coefficient) equal to 0.9679, R2val (validation correlation coefficient) equal to 0.8474, and R2pred (prediction correlation coefficient) equal to 0, 8468. The peroxide index (PI) prediction model showed RMSEC = 0.0005, REMSECV = 0.0016, RMSEP = 0.00079, calibration R2 equal to 0.9670, cross-validation R2 equal to 0.7149, and R2 of prediction equal to 0.9099. The physical–chemical analyses identified that five samples fit in the food sector and the others fit in other sectors of the economy. In this way, the preliminary monitoring of the state of degradation was reported, and the prediction models of the peroxide and acidity indexes in Brazil nut oil for quality control were determined.
A Review of Mn-Based Catalysts for Abating NOx and CO in Low-Temperature Flue Gas: Performance and Mechanisms
Authors: Li Xiaodi , Ren Shan , Chen Zhichao , Wang Mingming , Chen Lin , Chen Hongsheng , Yin Xitao
Published: October 2023

Mn-based catalysts have attracted significant attention in the field of catalytic research, particularly in NOx catalytic reductions and CO catalytic oxidation, owing to their good catalytic activity at low temperatures. In this review, we summarize the recent progress of Mn-based catalysts for the removal of NOx and CO. The effects of crystallinity, valence states, morphology, and active component dispersion on the catalytic performance of Mn-based catalysts are thoroughly reviewed. This review delves into the reaction mechanisms of Mn-based catalysts for NOx reduction, CO oxidation, and the simultaneous removal of NOx and CO. Finally, according to the catalytic performance of Mn-based catalysts and the challenges faced, a possible perspective and direction for Mn-based catalysts for abating NOx and CO is proposed. And we expect that this review can serve as a reference for the catalytic treatment of NOx and CO in future studies and applications.
Physico-Chemical Properties and Valorization of Biopolymers Derived from Food Processing Waste
Authors: Silvestri Teresa , Di Donato Paola , Bonadies Irene , Poli Annarita , Frigione Mariaenrica , Biondi Marco , Mayol Laura
Published: October 2023

The widespread use of synthetic plastics, as well as the waste produced at the end of their life cycle, poses serious environmental issues. In this context, bio-based plastics, i.e., natural polymers produced from renewable resources, represent a promising alternative to petroleum-based materials. One potential source of biopolymers is waste from the food industry, the use of which also provides a sustainable and eco-friendly solution to waste management. Thus, the aim of this work concerns the extraction of polysaccharide fractions from lemon, tomato and fennel waste. Characterizing the chemical–physical and thermodynamic properties of these polysaccharides is an essential step in evaluating their potential applications. Hence, the solubility of the extracted polysaccharides in different solvents, including water and organic solvents, was determined since it is an important parameter that determines their properties and applications. Also, acid-base titration was carried out, along with thermoanalytical tests through differential scanning calorimetry. Finally, the electrospinning of waste polysaccharides was investigated to explore the feasibility of obtaining polysaccharide-based membranes. Indeed, electrospun fibers are a promising structure/system via which it is possible to apply waste polysaccharides in packaging or well-being applications. Thanks to processing feasibility, it is possible to electrospin waste polysaccharides by combining them with different materials to obtain porous 3D membranes made of nanosized fibers.
Antioxidant and Anti-Aging Phytoconstituents from Faucaria tuberculosa: In Vitro and In Silico Studies
Authors: Ahmed Hayam S. , Abouzeid Hala , Mansour Mostafa A. , Owis Asmaa I. , Amin Elham , Darwish Hany W. , Alanazi Ashwag S. , Naguib Ibrahim A. , Afifi Naglaa
Published: October 2023

Research targeting natural cosmeceuticals is now increasing due to the safety and/or limited side effects of natural products that are highly valued in cosmetology. Within a research program exploring botanical sources for valuable skincare antioxidant components, the current study investigated the phytochemical content and the biological potential of Faucaria tuberculosa. Phytochemical investigation of F. tuberculosa extract resulted in purification and characterization of six phytoconstituents, including a new one. The structure of the new constituent was elucidated as (-) catechin-(2→1′,4→2′)-phloroglucinol (4). The structural identity of all isolated compounds were confirmed on the basis of extensive physical and spectral (1D, 2D-NMR and HRESIMS) investigations. The ethanolic extract exhibits a rich content of total phenolics (TPC) and total flavonoids (TFC), estimated as 32 ± 0.034 mg GAE/g and 43 ± 0.004 mg RE/g, respectively. In addition, the antioxidant (ABTS and FRAP), antihyaluronidase and antityrosinase activities of all purified phytoconstituents were evaluated. The results noted (-) catechin-(2→1′,4→2′) phloroglucinol (4) and phloroglucinol (1) for their remarkable antioxidant activity, while isorhamnetin 3-O-rutinoside (3) and 3,5-dihydroxyphenyl β-D-glucopyranoside (2) achieved the most potent inhibitory activity against tyrosinase (IC50 22.09 ± 0.7 µM and 29.96 ± 0.44 µM, respectively) and hyaluronidase enzymes (IC50 49.30 ± 1.57 µM and 62.58 ± 0.92, respectively) that remarkably exceeds the activity of the standard drugs kojic acid (IC50 = 65.21 ± 0.47 µM) and luteolin, (IC50 = 116.16 ± 1.69 µM), respectively. A molecular docking study of the two active compounds (3 and 2) highlighted their high potential to bind to the active sites of the two enzymes involved in the study.
Formulation and Characterization of Matrine Oil Dispersion to Improve Droplet Wetting and Deposition
Authors: Li Meng , Wang Zhen , Meng Huanwen , Wang Dong , Deng Xile , Zhou Hongyou
Published: October 2023

The unreasonable use of chemical pesticides has caused serious damage to crops and the ecological environment. The botanical pesticide matrine has attracted attention as an environmentally friendly pesticide. Compared with traditional spraying methods, unmanned aerial vehicle (UAV) spraying has the advantages of safety, rapidity, uniform droplets, low dosages, and no terrain or crop restrictions. In this study, matrine OD was prepared according to the application requirements of flight prevention preparations using three different emulsifiers. The stability, wettability, particle size and distribution, and spraying performance of matrine OD were studied. The results indicated that when the amount of emulsifier was 8%, the three types of matrine OD had good stability. The stability, wettability, particle size and distribution, and spray performance of the suspension prepared using emulsifier VO/03 were better than the other two emulsifiers. Therefore, matrine OD prepared using 8% VO/03 could be used for ultra-low-volume sprays and aerial applications. In this study, we provide a theoretical basis and technical guidance to develop pesticide formulations for aerial applications.
Molecular Dynamics Simulation Study of the Selective Inhibition of Coagulation Factor IXa over Factor Xa
Authors: Yoon Hyun Jung , Kundu Sibsankar , Wu Sangwook
Published: October 2023

Thromboembolic disorders, arising from abnormal coagulation, pose a significant risk to human life in the modern world. The FDA has recently approved several anticoagulant drugs targeting factor Xa (FXa) to manage these disorders. However, these drugs have potential side effects, leading to bleeding complications in patients. To mitigate these risks, coagulation factor IXa (FIXa) has emerged as a promising target due to its selective regulation of the intrinsic pathway. Due to the high structural and functional similarities of these coagulation factors and their inhibitor binding modes, designing a selective inhibitor specifically targeting FIXa remains a challenging task. The dynamic behavior of protein–ligand interactions and their impact on selectivity were analyzed using molecular dynamics simulation, considering the availability of potent and selective compounds for both coagulation factors and the co-crystal structures of protein–ligand complexes. Throughout the simulations, we examined ligand movements in the binding site, as well as the contact frequencies and interaction fingerprints, to gain insights into selectivity. Interaction fingerprint (IFP) analysis clearly highlights the crucial role of strong H-bond formation between the ligand and D189 and A190 in the S1 subsite for FIXa selectivity, consistent with our previous study. This dynamic analysis also reveals additional FIXa-specific interactions. Additionally, the absence of polar interactions contributes to the selectivity for FXa, as observed from the dynamic profile of interactions. A contact frequency analysis of the protein–ligand complexes provides further confirmation of the selectivity criteria for FIXa and FXa, as well as criteria for binding and activity. Moreover, a ligand movement analysis reveals key interaction dynamics that highlight the tighter binding of selective ligands to the proteins compared to non-selective and inactive ligands.