A novel bioinformatics strategy to uncover the active ingredients and molecular mechanisms of Bai Shao in the treatment of non-alcoholic fatty liver disease

Introduction: As a new discipline, network pharmacology has been widely used to disclose the material basis and mechanism of Traditional Chinese Medicine in recent years. However, numerous researches indicated that the material basis of TCMs identified based on network pharmacology was the mixtures of beneficial and harmful substances rather than the real material basis. In this work, taking the anti-NAFLD (non-alcoholic fatty liver disease) effect of Bai Shao (BS) as a case, we attempted to propose a novel bioinformatics strategy to uncover the material basis and mechanism of TCMs in a precise manner.Methods: In our previous studies, we have done a lot work to explore TCM-induced hepatoprotection. Here, by integrating our previous studies, we developed a novel computational pharmacology method to identify hepatoprotective ingredients from TCMs. Then the developed method was used to discover the material basis and mechanism of Bai Shao against Non-alcoholic fatty liver disease by combining with the techniques of molecular network, microarray data analysis, molecular docking, and molecular dynamics simulation. Finally, literature verification method was utilized to validate the findings.Results: A total of 12 ingredients were found to be associated with the anti-NAFLD effect of BS, including monoterpene glucosides, flavonoids, triterpenes, and phenolic acids. Further analysis found that IL1-β, IL6, and JUN would be the key targets. Interestingly, molecular docking and molecular dynamics simulation analysis showed that there indeed existed strong and stable binding affinity between the active ingredients and the key targets. In addition, a total of 23 NAFLD-related KEGG pathways were enriched. The major biological processes involved by these pathways including inflammation, apoptosis, lipid metabolism, and glucose metabolism. Of note, there was a great deal of evidence available in the literature to support the findings mentioned above, indicating that our method was reliable.Discussion: In summary, the contributions of this work can be summarized as two aspects as follows. Firstly, we systematically elucidated the material basis and mechanism of BS against NAFLD from multiple perspectives. These findings further enhanced the theoretical foundation of BS on NAFLD. Secondly, a novel computational pharmacology research strategy was proposed, which would assist network pharmacology to uncover the scientific connotation TCMs in a more precise manner

Endoplasmic reticulum homeostasis: a potential target for diabetic nephropathy

The endoplasmic reticulum (ER) is the most vigorous organelle in intracellular metabolism and is involved in physiological processes such as protein and lipid synthesis and calcium ion transport. Recently, the abnormal function of the ER has also been reported to be involved in the progression of kidney disease, especially in diabetic nephropathy (DN). Here, we reviewed the function of the ER and summarized the regulation of homeostasis through the UPR and ER-phagy. Then, we also reviewed the role of abnormal ER homeostasis in residential renal cells in DN. Finally, some ER stress activators and inhibitors were also summarized, and the possibility of maintaining ER homeostasis as a potential therapeutic target for DN was discussed

water chemistry are new challenges possible from coda compositional data analysis point of view

John Aitchison died in December 2016 leaving behind an important inheritance: to continue to explore the fascinating world of compositional data. However, notwithstanding the progress that we have made in this field of investigation and the diffusion of the CoDA theory in different researches, a lot of work has still to be done, particularly in geochemistry. In fact most of the papers published in international journals that manage compositional data ignore their nature and their consequent peculiar statistical properties. On the other hand, when CoDA principles are applied, several efforts are often made to continue to consider the log-ratio transformed variables, for example the centered log-ratio ones, as the original ones, demonstrating a sort of resistance to thinking in relative terms. This appears to be a very strange behavior since geochemists are used to ratios and their analysis is the base of the experimental calibration when standards are evolved to set the instruments. In this chapter some challenges are presented by exploring water chemistry data with the aim to invite people to capture the essence of thinking in a relative and multivariate way since this is the path to obtain a description of natural processes as complete as possible

Numerical Modeling of the Hydrothermal Metallogenic Mechanism Associated with the Ergu Pb-Zn Deposit, Heilongjiang, China: An Example of Pore-Fluid Convection Controlled Mineralization

Skarn-hosted deposits are commonly recognized as the consequence of magma intrusion within the Earth’s upper crust. The Ergu Pb-Zn deposit can be regarded as a typical skarn-hosted deposit in the hydrothermal ore-forming system within the central Lesser Xing’an Range (LXR), Heilongjiang, China. Although extensive studies were conducted to understand the ore-forming system associated with the Ergu Pb-Zn deposit through using the traditional geoscience methods, the ore-forming process involved in this deposit has not been justified in a strictly scientific manner to date. In this paper, the hydrothermal ore-forming process of the Ergu Pb-Zn deposit is computationally simulated through using the dual length-scale approach associated with the finite element method (FEM). The related computational simulation results have demonstrated that: (1) the pore-fluid convection provides continuous ore-forming fluid and material sources for the Ergu Pb-Zn deposit at the quartz-Pb-Zn sulfide stage; (2) the convective flow of the pore fluid is the main dynamic mechanism, which controls the temperature, chemical species and pore-fluid velocity distributions in the Ergu Pb-Zn deposit; (3) the localized structure plays a key role in controlling the localized pore-fluid flow pattern, which can further control the location and formation of the orebody grade in the Ergu Pb-Zn deposit; (4) the dual length-scale approach associated with the FEM is very useful in dealing with the computational simulation of the hydrothermal ore-forming mechanism involved in the Ergu Pb-Zn deposit

Flexible Power Supply System of AC Electric Arc Furnace

The AC electric arc furnace (EAF) is becoming a core apparatus of the modern steel industry. Nevertheless, it used to be a major threat of power quality in the traditional power supply system. In this paper, a flexible power supply system of the AC EAF is proposed, which is expected to completely alter its inherent cognition of impact load in the power grid. The basics of the power supply for EAF are first reviewed and the novel techniques to enhance the operation flexibility of EAF are introduced. The power circuit and the control structure are then presented, followed by the detailed strategies of various operations fully considering the features of EAF. A large disturbance stability criterion based on the mixed potential theory is also established for the practical application. Both electromagnetic transient simulations using PSCAD and benefit analyses verify the feasibility of the proposed system

A Scoping Review of Frailty Assessment Tools for Elderly Orthopedic Inpatients

Background With the aggravation of population aging in China, the number of elderly perioperative orthopedic patients is increasing, and the growing prevalence of frailty in older patients undergoing orthopedic surgery has attracted increasing attention. Early preoperative assessment and intervention of frailty are of great significance for improving postoperative prognosis and reducing the occurrence of complications in this population. Objective To perform a scoping review of frailty assessment tools for elderly orthopedic inpatients, and to provide a reference for the selection of frailty assessment tools for this group. Methods Seven databases (PubMed, CINAHL, PsycINFO, Scopus, Embase, CNKI and Wanfang Data) were searched for studies on frailty assessment tools for older orthopedic inpatients from 2006 to 2021. Two researchers independently screened the literature and extracted the basic characteristics of the literature (the flint author, publication time, country, basic information, research tools and outcome indicators) and the basic characteristics of involved frailty assessment tools (name, study country, study type, scale dimension, number of items, assessment cut-off value, assessment time, etc.) . Results A total of 1733 studies were retrieved, and 25 of them with 12 frailty assessment tools were included. The analysis showed that there are a variety of assessment tools, and different studies have used different frailty assessment tools. Frailty Phenotype and Frailty Index are the two common tools. The application of accurate and effective tools for frailty screening is crucial to improving preoperative risk stratification and postoperative prognosis. Frailty assessment using the Reported Edmonton Frail Scale, FRAIL Scale, PRISMA-7 Questionnaire or the Groningen Frailty Index can be completed without the use of additional measuring equipment and surveyors with an experience of training. Conclusion The selection of an optimal frailty assessment tool for elderly orthopedic inpatients should be in accordance with patient features, clinical resources and the performance of the tool. However, there is still lack of a gold standard for frailty assessment. Future studies are needed to assess the reliability and validity of existing frailty assessment scales or to develop frailty assessment tools applicable to Chinese older orthopedic inpatients

Optimizing Load Capacity Predictions in Gas Foil Thrust Bearings: A Novel Full-Ramp Model

Gas film thickness significantly influences the performance prediction of Gas Foil Thrust Bearings (GFTB). However, the Classical Model (CM) for GFTBs exhibits inaccuracies in describing gas film thickness. In this paper, we explore the differences in the details of gas film thickness modeling and propose a Parallel Segmentation Model (PSM), which fixes the errors of the CM in describing the gas film thickness in the ramp section, and a Full-Ramp Model (FRM), to which a more realistic description of the gas film in the flat section is also added. Comparative analysis, utilizing a publicly available test dataset based on the open-source GFTB structure, establishes that the FRM surpasses the CM and PSM in accurately predicting load capacity. In-depth analysis shows that the location of the minimum gas film thickness for determining the load capacity is located at the innermost circle of the free end of the top foil, whereas the FRM is subjected to the same load with a larger film thickness at this location, which may be due to the unique geometry of the top foil of the FRM. Subsequently, employing the FRM, a parametric study explores load capacity in GFTB, considering variables such as ramp height, top foil thickness, bump foil stiffness, ramp section extent, and top foil area. The results demonstrate that GFTB load capacity exhibits a linear increase with the expansion of the top foil area. Moreover, the load capacity increases with augmented top foil thickness and bump foil stiffness, albeit at a decreasing rate. Additionally, an increase in ramp section extent initially enhances load capacity, reaching a maximum value before declining. Similarly, an increase in ramp height initially augments load capacity, attaining a maximum before subsequent diminution

CS-SAR Imaging Method Based on Inverse Omega-K Algorithm

Compressed Sensing (CS) has been proved to be effective in Synthetic Aperture Radar (SAR) imaging. Previous CS-SAR imaging algorithms are very time consuming, especially for producing high-resolution images. In this study, we propose a new CS-SAR imaging method based on the well-known omega-K algorithm, which is precise and convenient to use in SAR imaging. First, we derive an inverse omega-K algorithm to directly obtain echoes without any convolution between the transmitted signal and scene. Then, we formulate the SAR imaging problem into a sparse regularization problem and solve it using an iterative thresholding algorithm. With our derived inverse omega-K algorithm, we can save significant amounts of computation time and computer memory usage. Simulation results show that the proposed method can effectively recover SAR images with much less data than that required by the Nyquist rate