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1.
PLoS One ; 19(5): e0302836, 2024.
Article in English | MEDLINE | ID: mdl-38722913

ABSTRACT

BACKGROUND: Frailty is a common condition among patients with liver cirrhosis. Nonetheless, its role in predicting liver transplant-free survival (TFS) remains unclear. AIM: This systematic review and meta-analysis were conducted to elucidate the relationship between frailty and TFS in patients with cirrhosis. METHODS: Cohort studies addressing the objective of this meta-analysis were extracted from PubMed, Embase, and Web of Science databases. Between-study heterogeneity was assessed with the Cochrane Q test, and the I^2 statistic was estimated. Random-effect models, considering potential heterogeneity, were employed to combine the results. RESULTS: The meta-analysis encompassed 17 cohort studies involving 6273 patients with cirrhosis, of whom 1983 (31.6%) were classified as frail at baseline. The follow-up periods in the included studies ranged from 3 to 29 months, with an average duration of 11.5 months. The analysis revealed that frailty was significantly associated with a poor TFS (risk ratio [RR]: 2.07, 95% confidence interval: 1.72 to 2.50, p<0.001; I2 = 51%). Sensitivity analyses that sequentially omitted one dataset consistently supported these findings (RR: 1.95 to 2.17, p<0.05 in all cases). Subgroup analyses based on variables such as study design, mean age of patients, baseline Model for End-Stage Liver Disease score, tool used for frailty evaluation, follow-up duration, and study quality score also yielded congruent results. CONCLUSIONS: The evidence suggests that frailty may be an independent risk factor for poor TFS in patients with liver cirrhosis, thus emphasizing the importance of early identification and management of frailty in this population.


Subject(s)
Frailty , Liver Cirrhosis , Liver Transplantation , Humans , Frailty/complications , Liver Cirrhosis/mortality , Liver Cirrhosis/complications , Risk Factors
2.
J Control Release ; 370: 501-515, 2024 May 09.
Article in English | MEDLINE | ID: mdl-38703950

ABSTRACT

Although nanomaterial-based nanomedicine provides many powerful tools to treat cancer, most focus on the "immunosilent" apoptosis process. In contrast, ferroptosis and immunogenic cell death, two non-apoptotic forms of programmed cell death (PCD), have been shown to enhance or alter the activity of the immune system. Therefore, there is a need to design and develop nanoplatforms that can induce multiple modes of cell death other than apoptosis to stimulate antitumor immunity and remodel the immunosuppressive tumor microenvironment for cancer therapy. In this study, a new type of multifunctional nanocomposite mainly consisting of HMME, Fe3+ and Tannic acid, denoted HFT NPs, was designed and synthesized to induce multiple modes of cell death and prime the tumor microenvironment (TME). The HFT NPs consolidate two functions into one nano-system: HMME as a sonosensitizer for the generation of reactive oxygen species (ROS) 1O2 upon ultrasound irradiation, and Fe3+ as a GSH scavenger for the induction of ferroptosis and the production of ROS ·OH through inorganic catalytic reactions. The administration of HFT NPs and subsequent ultrasound treatment caused cell death through the consumption of GSH, the generation of ROS, ultimately inducing apoptosis, ferroptosis, and immunogenic cell death (ICD). More importantly, the combination of HFT NPs and ultrasound irradiation could reshape the TME and recruit more T cell infiltration, and its combination with immune checkpoint blockade anti-PD-1 antibody could eradicate tumors with low immunogenicity and a cold TME. This new nano-system integrates sonodynamic and chemodynamic properties to achieve outstanding therapeutic outcomes when combined with immunotherapy. Collectively, this study demonstrates that it is possible to potentiate cancer immunotherapy through the rational and innovative design of relatively simple materials.

4.
Nucleic Acids Res ; 2024 Apr 22.
Article in English | MEDLINE | ID: mdl-38647076

ABSTRACT

Absorption, distribution, metabolism, excretion and toxicity (ADMET) properties play a crucial role in drug discovery and chemical safety assessment. Built on the achievements of admetSAR and its successor, admetSAR2.0, this paper introduced the new version of the series, admetSAR3.0, as a comprehensive platform for chemical ADMET assessment, including search, prediction and optimization modules. In the search module, admetSAR3.0 hosted over 370 000 high-quality experimental ADMET data for 104 652 unique compounds, and supplemented chemical structure similarity search function to facilitate read-across. In the prediction module, we introduced comprehensive ADMET endpoints and two new sections for environmental and cosmetic risk assessments, empowering admetSAR3.0 to provide prediction for 119 endpoints, more than double numbers compared to the previous version. Furthermore, the advanced multi-task graph neural network framework offered robust and reliable support for ADMET prediction. In particular, a module named ADMETopt was added to automatically optimize the ADMET properties of query molecules through transformation rules or scaffold hopping. Finally, admetSAR3.0 provides user-friendly interfaces for multiple types of input data, such as SMILES string, chemical structure and batch molecule file, and supports various output types, including digital, chart displays and file downloads. In summary, admetSAR3.0 is anticipated to be a valuable and powerful tool in drug discovery and chemical safety assessment at http://lmmd.ecust.edu.cn/admetsar3/.

5.
Front Cardiovasc Med ; 11: 1342379, 2024.
Article in English | MEDLINE | ID: mdl-38682102

ABSTRACT

Background: The long-term prognosis of patients with stable coronary artery disease (CAD) combined with orthostatic hypotension (OH) has rarely been reported. This research was designed to examine whether OH increases the risk of all-cause mortality and cardiovascular death among patients with stable CAD. Methods: We retrospectively analyzed retired military personnel over 65 years of age who were hospitalized at the General Hospital of Southern Theater Command of the Chinese People's Liberation Army between March and July 2010. A total of 924 patients with stable CAD were included, among whom 263 had OH. The risk of all-cause mortality and cardiovascular death in OH and non-OH groups were analyzed with the Cox proportional hazards models, and restricted cubic spline plots were utilized for subgroup analyses. Furthermore, competing risk models were applied for sensitivity analyses. Results: The median age of the patients was 82.00 (80.00-85.00) years. Over 159 months of follow-up, the loss to follow-up rate was 2.27%, and all-cause mortality was observed in 574 (63.57%) patients, including 184 with OH. Moreover, cardiovascular death occurred in 127 patients (13.73%), with 58 cases associated with OH. Although the relationship between OH and all-cause mortality was non-significant [body mass index (BMI) < 25 group, adjusted hazard ratio (HR) = 1.10 with a 95% confidence interval (CI): 0.82-1.40; BMI ≥ 25 group, adjusted HR = 1.30, 95% CI: 0.98-1.70], it was independently related to a growing risk of cardiovascular death (adjusted HR = 1.80, 95% CI: 1.20-2.60). This finding was further validated by using a competing risk model (subdistribution HR = 1.74, 95% CI: 1.22-2.49). Moreover, age, low-density lipoprotein cholesterol, and frequency of hospital admissions were identified as risk factors of cardiovascular death among patients with OH (P < 0.05). Conclusion: Our study, based on retired military personnel with stable CAD, found that OH led to a significantly higher risk of cardiovascular death, but it was not noticeably associated with all-cause mortality on long-term prognosis.

6.
ACS Nano ; 18(17): 11425-11437, 2024 Apr 30.
Article in English | MEDLINE | ID: mdl-38637308

ABSTRACT

A light beam can be spatially structured in the complex amplitude to possess orbital angular momentum (OAM), which introduces an extra degree of freedom alongside the intrinsic spin angular momentum (SAM) associated with circular polarization. Furthermore, superimposing two such twisted light (TL) beams with distinct SAM and OAM produces a vector vortex beam (VVB) in nonseparable states where not only complex amplitude but also polarization is spatially structured and entangled with each other. In addition to the nonseparability, the SAM and OAM in a VVB are intrinsically coupled by the optical spin-orbit interaction and constitute the profound spin-orbit physics in photonics. In this work, we present a comprehensive theoretical investigation, implemented on the first-principles base, of the intriguing light-matter interaction between VVBs and WSe2 monolayers (WSe2-MLs), one of the best-known and promising two-dimensional (2D) materials in optoelectronics dictated by excitons, encompassing bright exciton (BX) as well as various dark excitons (DXs). One of the key findings of our study is that a substantial enhancement of the photoexcitation of gray excitons (GXs), a type of spin-forbidden DX, in a WSe2-ML can be achieved through the utilization of a 3D-structured TL with the optical spin-orbit interaction. Moreover, we show that a spin-orbit-coupled VVB surprisingly allows for the imprinting of the carried optical information onto GXs in 2D materials, which is robust against the decoherence mechanisms in the materials. This suggests a promising method for deciphering the transferred angular momentum from structured light to excitons.

7.
Biochem Biophys Res Commun ; 712-713: 149955, 2024 Jun 18.
Article in English | MEDLINE | ID: mdl-38640737

ABSTRACT

We previously demonstrated a positive relation of secretory phospholipase A2 group IIA (sPLA2-IIA) with circulating high-density lipoprotein cholesterol (HDL-C) in patients with coronary artery disease, and sPLA2-IIA increased cholesterol efflux in THP-1 cells through peroxisome proliferator-activated receptor-γ (PPAR-γ)/liver X receptor α/ATP-binding cassette transporter A1 (ABCA1) signaling pathway. The aim of the present study was to examine the role of sPLA2-IIA over-expression on lipid profile in a transgenic mouse model. Fifteen apoE-/- and C57BL/7 female mice received bone marrow transplantation from transgenic SPLA2-IIA mice, and treated with specific PPAR-γ inhibitor GW9662. High fat diet was given after one week of bone marrow transplantation, and animals were sacrificed after twelve weeks. Immunohistochemical staining showed over-expression of sPLA2-IIA protein in the lung and spleen. The circulating level of HDL-C, but not that of low-density lipoprotein cholesterol (LDL-C), total cholesterol, or total triglyceride, was increased by sPLA2-IIA over-expression, and was subsequently reversed by GW9662 treatment. Over-expression of sPLA2-IIA resulted in augmented expression of cholesterol transporter ABCA1 at mRNA level in the aortas, and at protein level in macrophages, co-localized with macrophage specific antigen CD68. GW9662 exerted potent inhibitory effects on sPLA2-IIA-induced ABCA1 expression. Conclusively, we demonstrated the effects of sPLA2-IIA on circulating HDL-C level and the expression of ABCA1, possibly through regulation of PPAR-γ signaling in transgenic mouse model, that is in concert with the conditions in patients with coronary artery disease.


Subject(s)
ATP Binding Cassette Transporter 1 , CD68 Molecule , Mice, Inbred C57BL , Mice, Transgenic , Animals , ATP Binding Cassette Transporter 1/metabolism , ATP Binding Cassette Transporter 1/genetics , Female , Mice , Group II Phospholipases A2/metabolism , Group II Phospholipases A2/genetics , PPAR gamma/metabolism , Cholesterol, HDL/blood , Cholesterol, HDL/metabolism , Lung/metabolism , Lung/pathology , Antigens, Differentiation, Myelomonocytic/metabolism , Antigens, CD/metabolism , Antigens, CD/genetics , Spleen/metabolism , Bone Marrow Transplantation , Humans , Lipids/blood
8.
J Chem Inf Model ; 64(8): 3451-3464, 2024 Apr 22.
Article in English | MEDLINE | ID: mdl-38593186

ABSTRACT

Cytochrome P450 3A4 (CYP3A4) is one of the most important drug-metabolizing enzymes in the human body and is well known for its complicated, atypical kinetic characteristics. The existence of multiple ligand-binding sites in CYP3A4 has been widely recognized as being capable of interfering with the active pocket through allosteric effects. The identification of ligand-binding sites other than the canonical active site above the heme is especially important for understanding the atypical kinetic characteristics of CYP3A4 and the intriguing association between the ligand and the receptor. In this study, we first employed mixed-solvent molecular dynamics (MixMD) simulations coupled with the online computational predictive tools to explore potential ligand-binding sites in CYP3A4. The MixMD approach demonstrates better performance in dealing with the receptor flexibility compared with other computational tools. From the sites identified by MixMD, we then picked out multiple sites for further exploration using ensemble docking and conventional molecular dynamics (cMD) simulations. Our results indicate that three extra sites are suitable for ligand binding in CYP3A4, including one experimentally confirmed site and two novel sites.


Subject(s)
Cytochrome P-450 CYP3A , Molecular Dynamics Simulation , Solvents , Cytochrome P-450 CYP3A/chemistry , Cytochrome P-450 CYP3A/metabolism , Ligands , Binding Sites , Solvents/chemistry , Humans , Molecular Docking Simulation , Protein Binding , Protein Conformation
9.
Drug Des Devel Ther ; 18: 1189-1198, 2024.
Article in English | MEDLINE | ID: mdl-38645990

ABSTRACT

Purpose: Postoperative nausea and vomiting (PONV) frequently occur in patients after surgery. In this study, the authors investigated whether perioperative S-ketamine infusion could decrease the incidence of PONV in patients undergoing video-assisted thoracoscopic surgery (VATS) lobectomy. Patients and Methods: This prospective, randomized, double-blinded, controlled study was conducted a total of 420 patients from September 2021 to May 2023 at Xuzhou Central Hospital in China, who underwent elective VATS lobectomy under general anesthesia with tracheal intubation. The patients were randomly assigned to either the S-ketamine group or the control group. The S-ketamine group received a bolus injection of 0.5 mg/kg S-ketamine and an intraoperative continuous infusion of S-ketamine at a rate of 0.25 mg/kg/h. The control group received an equivalent volume of saline. All patients were equipped with patient-controlled intravenous analgesia (PCIA), with a continuous infusion rate of 0.03 mg/kg/h S-ketamine in the S-ketamine group or 0.03 µg/kg/h sufentanil in the control group. The primary outcome was the incidence of PONV. Secondary outcomes included perioperative opioid consumption, hemodynamics, postoperative pain, and adverse events. Results: The incidence of PONV in the S-ketamine group (9.7%) was significantly lower than in the control group (30.5%). Analysis of perioperative opioid usage revealed that remifentanil usage was 40.0% lower in the S-ketamine group compared to the control group (1414.8 µg vs 2358.2 µg), while sufentanil consumption was 75.2% lower (33.1 µg vs 133.6 µg). The S-ketamine group demonstrated better maintenance of hemodynamic stability. Additionally, the visual analogue scale (VAS) scores on postoperative day 1 (POD-1) and postoperative day 3 (POD-3) were significantly lower in the S-ketamine group. Finally, no statistically significant difference in other postoperative adverse reactions was observed between the two groups. Conclusion: The results of this trial indicate that perioperative S-ketamine infusion can effectively reduce the incidence of PONV in patients undergoing VATS lobectomy.


Subject(s)
Ketamine , Postoperative Nausea and Vomiting , Thoracic Surgery, Video-Assisted , Adult , Aged , Female , Humans , Male , Middle Aged , Double-Blind Method , Ketamine/administration & dosage , Postoperative Nausea and Vomiting/prevention & control , Prospective Studies , Thoracic Surgery, Video-Assisted/adverse effects
10.
Parkinsonism Relat Disord ; 123: 106949, 2024 Mar 29.
Article in English | MEDLINE | ID: mdl-38564831

ABSTRACT

INTRODUCTION: Gait initiation (GI) includes automatic and voluntary movements. However, research on their impact on the first step in patients with Parkinson's disease (PD) and their relationship to freezing of gait (FOG) is lacking. We examined the effects of automatic movements (anticipatory postural adjustments [APAs]) and voluntary movements (limits of stability [LOS]) on the first step (first-step duration and first-step range of motion), along with their early recognition and prediction of slight FOG. METHODS: Twenty-three patients with PD and slight freezing (PD + FOG) and 25 non-freezing patients with PD (PD-FOG) were tested while off medications and compared with 24 healthy controls (HC). All participants completed a 7-m Stand and Walk Test (7 m SAW) and wore inertial sensors to quantify the APAs and first step. LOS was quantified by dynamic posturography in different directions using a pressure platform. We compared differences among all three groups, analysed correlations, and evaluated their predictive value for slight FOG. RESULTS: In PD + FOG, APAs and LOS were worse than those in the PD-FOG and HC groups (p < 0.001), and the first step was worse than that in HC (p < 0.001). APAs were correlated mainly with the first-step duration. APAs and LOS were correlated with the first-step range of motion. APAs have been recognized as independent predictors of FOG, and their combination with LOS enhances predictive sensitivity. CONCLUSION: APAs and LOS in patients with PD directly affect the first step during GI. In addition, the combination of APAs and LOS helped predict slight FOG.

11.
Am J Transl Res ; 16(2): 584-591, 2024.
Article in English | MEDLINE | ID: mdl-38463587

ABSTRACT

OBJECTIVE: To explore the effect of Shixiao Huoxue Decoction on pain and tumor necrosis factor (TNF)-α and interleukin (IL)-8 levels in patients with adenomyosis. METHODS: A total of 65 patients with adenomyosis admitted to South District of Guang'anmen Hospital from January 2020 to December 2021 were divided into two groups according to the treatment methods. The control group was treated with pregnatrienone, and the study group was treated with additional Shixiaohuoxue decoction. The incidence of complications, treatment efficacy, levels of inflammatory factors, Traditional Chinese Medicine symptom score, dysmenorrhea score, menstrual volume score, dysmenorrhea symptom score, changes in uterine volume, level of insulin-like growth factor 1 (IGF-1), and changes in the level of carbohydrate antigen (CA125) were observed before and after treatment in both two groups. Univariate Logistic analysis showed that uterine volume, IGF-1, CA125, serum IL-8 and TNF-α were correlated with the short-term efficacy of Meixiaohuoxue Decoction in the treatment of uterine adenomyosis (P<0.05). RESULTS: The levels of IL-8 and TNF-α in the study group were significantly lower than those in the control group after treatment (P<0.05). The scores of dyspareunia and non-menstrual pelvic pain in the study group were significantly lower than those in the control group (P<0.05). The overall response rate in the study group (93.75%) was significantly higher than that in the control group (66.66%) (P<0.05). The scores of Traditional Chinese Medicine symptoms, dysmenorrhea, menstrual volume, and dysmenorrhea symptoms in the study group were significantly lower than those in the control group after treatment (P<0.05). The IGF-1 and CA125 levels in the study group were significantly lower than those in the control group after treatment (P<0.05). However, no significant difference in uterine volume was found between the two groups after treatment (P>0.05). CONCLUSION: Xiaoxiao Huoxue Decoction demonstrated a better treatment efficacy in patients with adenomyosis through improving dysmenorrhea and Traditional Chinese Medicine symptoms, as well as reducing the levels of body inflammatory factors, non-menstrual pelvic pain, and dyspareunia, thus contributing to early recovery of patients. Therefore, Xiaoxiao Huoxue Decoction is worthy of promotion in clinical treatment of adenomyosis.

12.
Article in English | MEDLINE | ID: mdl-38498763

ABSTRACT

Seasonal influenza vaccines play a crucial role in saving numerous lives annually. However, the constant evolution of the influenza A virus necessitates frequent vaccine updates to ensure its ongoing effectiveness. The decision to develop a new vaccine strain is generally based on the assessment of the current predominant strains. Nevertheless, the process of vaccine production and distribution is very time-consuming, leaving a window for the emergence of new variants that could decrease vaccine effectiveness, so predictions of influenza A virus evolution can inform vaccine evaluation and selection. Hence, we present FluPMT, a novel sequence prediction model that applies an encoder-decoder architecture to predict the hemagglutinin (HA) protein sequence of the upcoming season's predominant strain by capturing the patterns of evolution of influenza A viruses. Specifically, we employ time series to model the evolution of influenza A viruses, and utilize attention mechanisms to explore dependencies among residues of sequences. Additionally, antigenic distance prediction based on graph network representation learning is incorporated into the sequence prediction as an auxiliary task through a multi-task learning framework. Experimental results on two influenza datasets highlight the exceptional predictive performance of FluPMT, offering valuable insights into virus evolutionary dynamics, as well as vaccine evaluation and production.

13.
J Appl Toxicol ; 2024 Mar 27.
Article in English | MEDLINE | ID: mdl-38544296

ABSTRACT

Cytochrome P450 (CYP) enzymes are involved in the metabolism of approximately 75% of marketed drugs. Inhibition of the major drug-metabolizing P450s could alter drug metabolism and lead to undesirable drug-drug interactions. Therefore, it is of great significance to explore the inhibition of P450s in drug discovery. Currently, machine learning including deep learning algorithms has been widely used for constructing in silico models for the prediction of P450 inhibition. These models exhibited varying predictive performance depending on the use of machine learning algorithms and molecular representations. This leads to the difficulty in the selection of appropriate models for practical use. In this study, we systematically evaluated the conventional machine learning and deep learning models for three major P450 enzymes, CYP3A4, CYP2D6, and CYP2C9 from several perspectives, such as algorithms, molecular representation, and data partitioning strategies. Our results showed that the XGBoost and CatBoost algorithms coupled with the combined fingerprint/physicochemical descriptor features exhibited the best performance with Area Under Curve (AUC)  of 0.92, while the deep learning models were generally inferior to the conventional machine learning models (average AUC reached 0.89) on the same test sets. We also found that data volume and sampling strategy had a minor effect on model performance. We anticipate that these results are helpful for the selection of molecular representations and machine learning/deep learning algorithms in the P450 model construction and the future model development of P450 inhibition.

14.
iScience ; 27(4): 109425, 2024 Apr 19.
Article in English | MEDLINE | ID: mdl-38551004

ABSTRACT

Directed self-assembly (DSA) lithography has demonstrated significant potential in fabricating integrated circuits. However, DSA encounters limited processing windows due to the requirement for precise matching between the period of block copolymers (BCPs) and graphoepitaxy templates. We propose a binary BCP/homopolymer blending strategy to manipulate the self-assembly behavior and the processing window of graphoepitaxy DSA in contact hole shrinking. By carefully tailoring the blending rates of poly(methyl methacrylate) (PMMA) with different molecular weights in cylindrical polystyrene-b-poly(methyl methacrylate) (PS-b-PMMA), we manipulate the period and morphology of BCP/homopolymer self-assembly. Specifically, we employ BCP/homopolymer blending to fine-tune the critical dimension (CD) of contact holes with PS-affined topographical templates. Subsequent pattern transferring is achieved by selectively etching defect-free shrinkable cylinders as hard masks. Furthermore, self-consistent field theory (SCFT) simulation was employed to explore the self-assembly of BCP/homopolymer blending in confined cylindrical space and the results were in good consistency with the experimental results.

15.
Dalton Trans ; 53(15): 6747-6757, 2024 Apr 16.
Article in English | MEDLINE | ID: mdl-38530769

ABSTRACT

Developing new photocatalysts and deciphering the structure-property relationship are always the central topics in photocatalysis. In this study, a new photocatalyst Ba3SnGa10O20 containing two d10 metal cations was prepared by a high temperature solid state reaction, and its crystal structure was investigated by Rietveld refinements of monochromatic X-ray powder diffraction data for the first time. There are 2 Ba, 4 metal cations and 6 O independent atoms in a unit cell. Sn4+ and Ga3+ co-occupy the octahedral cavities named M1 and M2 sites, and the other two metal sites are fully occupied by Ga3+. Rational In3+-to-Ga3+ substitution was performed to reduce the potential of the conduction band minimum and enhance the light absorption ability, which was indeed confirmed using UV-vis diffuse reflectance spectra and Mott-Schottky plots for Ba3SnGa10-xInxO20 (0 ≤ x ≤ 2). Interestingly, In3+ exhibits site selective doping at M1 and M2 sites exclusively. With the light absorption ability enhanced, the photocatalytic overall water splitting activity was also improved, i.e. the photocatalytic H2 generation rate was 1.7(1) µmol h-1 for Ba3SnGa10O20, and the optimal catalyst Ba3SnGa8.5In1.5O20 loaded with 1.0 wt% Pd exhibited the H2 generation rate of 27.5(4) µmol h-1 and the apparent quantum yield at 254 nm was estimated to be 2.28% in pure water.

16.
Sci Rep ; 14(1): 6387, 2024 03 16.
Article in English | MEDLINE | ID: mdl-38493254

ABSTRACT

A within-host and between-host hand, foot and mouth disease (HFMD) mathematical model is established and the affect of optimal control in its within-host part on HFMD transmission is studied. Through define two basic reproduction numbers, by using the fast-slow system analysis method of time scale, the global stabilities of the between-host (slow) system and within-host (fast) system are researched, respectively. An optimal control problem with drug-treatment control on coupled within-host and between-host HFMD model is formulated and analysed theoretically. Finally, the purposed optimal control measures are applied to the actual HFMD epidemic analysis in Zhejiang Province, China from April 1, 2021 to June 30, 2021. The numerical results show that the drug control strategies can reduce the virus load per capita and can effectively prevent large-scale outbreaks of HFMD.


Subject(s)
Epidemics , Hand, Foot and Mouth Disease , Humans , Hand, Foot and Mouth Disease/epidemiology , Hand, Foot and Mouth Disease/prevention & control , Disease Outbreaks/prevention & control , Models, Theoretical , Epidemics/prevention & control , China/epidemiology , Incidence
17.
Chem Res Toxicol ; 37(3): 513-524, 2024 03 18.
Article in English | MEDLINE | ID: mdl-38380652

ABSTRACT

The research on acute dermal toxicity has consistently been a crucial component in assessing the potential risks of human exposure to active ingredients in pesticides and related plant protection products. However, it is difficult to directly identify the acute dermal toxicity of potential compounds through animal experiments alone. In our study, we separately integrated 1735 experimental data based on rabbits and 1679 experimental data based on rats to construct acute dermal toxicity prediction models using machine learning and deep learning algorithms. The best models for the two animal species achieved AUC values of 78.0 and 82.0%, respectively, on 10-fold cross-validation. Additionally, we employed SARpy to extract structural alerts, and in conjunction with Shapley additive explanation and attentive FP heatmap, we identified important features and structural fragments associated with acute dermal toxicity. This approach offers valuable insights for the detection of positive compounds. Moreover, a standalone software tool was developed to make acute dermal toxicity prediction easier. In summary, our research would provide an effective tool for acute dermal toxicity evaluation of pesticides, cosmetics, and drug safety assessment.


Subject(s)
Cosmetics , Pesticides , Humans , Rats , Rabbits , Animals , Toxicity Tests , Cosmetics/chemistry
18.
Biomimetics (Basel) ; 9(2)2024 Feb 09.
Article in English | MEDLINE | ID: mdl-38392150

ABSTRACT

In this paper, a new approach involving the use of a mobile manipulator to assist humans with mobility impairments to walk is proposed. First, in order to achieve flexible interaction between humans and mobile manipulators, we propose a variable admittance controller that can adaptively regulate the virtual mass and damping parameters based on the interaction forces and the human motion intention predicted using the fuzzy theory. Moreover, a feedforward velocity compensator based on a designed state observer is proposed to decrease the inertia resistance of the manipulator, effectively enhancing the compliance of the human-robot interaction. Then, the configuration of the mobile manipulator is optimized based on a null-space approach by considering the singularity, force capacity, and deformation induced by gravity. Finally, the proposed assisted walking approach for the mobile manipulator is implemented using the human-robot interaction controller and the null-space controller. The validity of the proposed controllers and the feasibility of assisted human walking are verified by conducting a set of tests involving different human volunteers.

19.
Biomimetics (Basel) ; 9(2)2024 Feb 15.
Article in English | MEDLINE | ID: mdl-38392162

ABSTRACT

Teleoperated robots have attracted significant interest in recent years, and data gloves are one of the commonly used devices for their operation. However, existing solutions still encounter two challenges: the ways in which data gloves capture human operational intentions and achieve accurate mapping. In order to address these challenges, we propose a novel teleoperation method using data gloves based on fuzzy logic controller. Firstly, the data are collected and normalized from the flex sensors on data gloves to identify human manipulation intentions. Then, a fuzzy logic controller is designed to convert finger flexion information into motion control commands for robot arms. Finally, experiments are conducted to demonstrate the effectiveness and precision of the proposed method.

20.
Comput Methods Programs Biomed ; 247: 108080, 2024 Apr.
Article in English | MEDLINE | ID: mdl-38382306

ABSTRACT

BACKGROUND AND OBJECTIVE: Ulcerative colitis (UC) is a chronic disease characterized by recurrent symptoms and significant morbidity. The exact cause of the disease remains unknown. The selection of current treatment options for ulcerative colitis depends on the severity and location of the disease in each patient. Therefore, developing a fully automated endoscopic images for evaluating UC is crucial for guiding treatment plans and facilitating early prevention efforts. METHODS: We propose a network called ulcerative colitis evaluation based on fine-grained lesion learner and noise suppression gating (UCFNNet). UCFNNet contains three novel modules. Firstly, a fine-grained lesion feature learner (FG-LF Learner) is proposed by integrating local features and a Softmax category prediction (SCP) module to improve the feature accuracy in small lesion areas. Subsequently, a graph convolutional feature combiner (GCFC) is developed to connect features across adjacent convolutional layers and to incorporate short connections between input and output, thereby mitigating feature loss during transmission. Thereafter, a noise suppression gating (NS gating) technique is designed by implementing a grid attention mechanism and a feature gating (FG) module to prioritize significant lesion features and suppress irrelevant and noisy regions in the input feature map. RESULTS: We evaluate the performance of the proposed network on both privately-collected and publicly-available datasets. The evaluation of UC achieves excellent results on privately-collected dataset, with an accuracy (ACC) of 89.57 %, Matthews correlation coefficient (MCC) of 85.52 %, precision of 89.26 %, recall of 89.48 %, and F1-score of 89.78 %. The results are also impressive on publicly-available dataset, with ACC of 85.47 %, MCC of 80.42 %, precision of 85.62 %, recall of 84.00 %, and F1-score of 84.53 %, surpassing the performance of state-of-the-art techniques. CONCLUSION: Our proposed model introduces three innovative algorithm modules, which outperform the current state-of-the-art methods and achieve high ACC and F1-score. This indicates that our method has superior performance compared to traditional machine learning and existing deep methods, which means that our method has good application prospects. Meanwhile, it has been verified that the proposed model demonstrates good interpretability. The source code is available at github.com/YinLeRenNB/UCFNNet.

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