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1.
J Control Release ; 354: 572-587, 2023 Jan 20.
Artigo em Inglês | MEDLINE | ID: mdl-36641119

RESUMO

Glioblastoma multiforme (GBM) is the most malignant brain tumor with high mortality. Knowledge of the stemness concept has developed recently, giving rising to a novel hallmark with therapeutic potential that can help in management of GBM recurrence and prognosis. However, limited blood-brain barrier (BBB) penetration, non-discriminatory distribution, and deficiency of diagnosis remain three major obstacles need to be overcome for further facilitating therapeutic effects. Herein, D4F and α-Melittin (a-Mel) are co-assembled to construct bio-fabricated nanoplatforms, which endowed with inherent BBB permeability, precise tumor accumulation, deep penetration, and immune activation. After carrying arsenic trioxide (ATO) and manganese dichloride (MnCl2), these elaborated nanodrugs, Mel-LNPs/MnAs, gather in tumor foci by natural pathways and respond to microenvironment to synchronously release Mn2+ and As3+, achieving real-time navigating-diagnosis and tumor cell proliferation inhibition. Through down regulating CD44 and CD133 expression, the GBM stemness was suppressed to overcome its high recurrence, invasion, and chemoresistance. After being combined with temozolomide (TMZ), the survival rate of GBM-bearing mice is significantly enhanced, and the rate of recurrence is powerfully limited. Collectively, this tumor-specific actuating multi-modality nanotheranostics provide a promising candidate for clinical application with high security.

2.
Sci Total Environ ; : 161790, 2023 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-36702267

RESUMO

Antimicrobial resistance (AMR) and pathogens derived from food animals and their associated environments have emerged as challenging threats to humans from a health perspective, but our understanding of these risks and their key prevention and control points in the current intensive breeding industry remains poor. By creating an integral composition and risk profile of the resistome and microbiome through metagenomics in feces, flies, dust, sewage, and soil along the four-stage laying hen production chain, we found that the whole production chain is a hotspot for antimicrobial resistance genes (ARGs) with 374 known subtypes and pathogens, including 157 human pathogenic bacteria (HPB). Feces and flies were identified as major risk sources for these contaminations. Also, we confirmed a twin-risk of AMR and pathogenicity prevailing throughout the chain, but with different frequencies in each stage; thus, high-risk ARGs in the young chicken stage and highly prioritized HPB in the chick stage contributed 37.33 % to the total AMR risk and 36.36 % to the pathogenic risks, respectively, thus rendering the two stages to be the key prevention points. Moreover, the prevalence of 112 binned ARG supercarriers (for example, Klebsiella pneumoniae harboring 20 ARGs) was unraveled along the production chain, especially in feces, flies, and dust, and 87 potential hosts exhibited high pathogenic risk, high-risk AMR, or both, with 262 ARGs and 816 virulence factor genes. Overall, this study provides first-hand comprehensive data on high-risk ARGs and their pathogenic hosts in the intensive laying hen production chain, and thus is fundamentally important for developing new measures to help control the global AMR crisis induced through the animal-environment-human pathway.

3.
Environ Res ; 221: 115257, 2023 Jan 13.
Artigo em Inglês | MEDLINE | ID: mdl-36642123

RESUMO

Scientific simulation of carbon emissions is an important prerequisite for achieving low-carbon green development and carbon peak and carbon neutralization. This study proposed a carbon emissions spatialization method based on nighttime light (NTL) remote sensing and municipal electricity social sensing. First, the economics-energy comprehensive index (EECI) was proposed by integrating the NTL and municipal electricity consumption (EC) data. Second, the carbon emissions were spatialized at a fine scale based on NTL, EC, and EECI, respectively. Finally, the geographical detector model was applied to quantify the influencing factors on carbon emissions from the perspectives of individuals and interactions. Results show that combining remote sensing and social sensing data helps depict carbon emissions accurately. The factor analysis found that GDP and population were the basis of carbon emissions, while the secondary industry and urbanization rate were the direct factors. This study is expected to provide constructive suggestions and methods for emission reduction, carbon peak, and carbon neutrality in high-density cities in China.

4.
Bioresour Technol ; 371: 128647, 2023 Jan 18.
Artigo em Inglês | MEDLINE | ID: mdl-36681353

RESUMO

Enzyme-mediated hydrolysis of cellulose always starts with an initial rapid phase, which gradually slows down, sometimes resulting in incomplete cellulose hydrolysis even after prolonged incubation. Although mechanisms such as end-product inhibition are known to play a role, the predominant mechanism appears to be reduced cellulose accessibility to the enzymes. When using Simon's stain to quantify accessibility, the accessibility of mechanically disintegrated and phosphoric acid-swollen cellulose substrates decreased as hydrolysis proceeded. In contrast, the poor initial accessibility of Avicel remained low throughout hydrolysis. However, washing the residual cellulose increased cellulose accessibility, likely due to the removal of tightly bound but non-productive enzymes which blocked access to more active enzymes in solution. Atomic force microscopy (AFM) analysis of the initial and residual cellulose collected when the hydrolysis plateaued, showed an increase in the roughness of the cellulose surface, possibly resulting in the tighter binding of less active cellulases.

5.
Acta Pharmacol Sin ; 2023 Jan 25.
Artigo em Inglês | MEDLINE | ID: mdl-36697976

RESUMO

The inflammatory responses involving infiltration and activation of liver macrophages play a vital role in acute liver failure (ALF). In the liver of ALF mice, cannabinoid receptor 2 (CB2R) is significantly upregulated on macrophages, while CB2R agonist GW405833 (GW) could protect against cell death in acute liver damage. In this study, we investigated the molecular mechanisms underlying the protective effects of GW against ALF in vivo and in vitro from a perspective of macrophage glycometabolism. Mice were pretreated with GW (10 mg/kg, i.p.), then were injected with D-GalN (750 mg/kg, i.p.) and LPS (10 mg/kg, i.p.) to induce ALF. We verified the protective effects of GW pretreatment in ALF mice. Furthermore, GW pretreatment significantly reduced liver macrophage infiltration and M1 polarization, and inhibited the release of inflammatory factors TNF-α and IL-1ß in ALF mice. These protective effects were eliminated by CB2R antagonist SR144528 or in CB2R-/- ALF mice. We used LPS-stimulated RAW264.7 cells as an in vitro M1 macrophage-centered model of inflammatory response, and demonstrated that pretreatment with GW (10 µM) significantly reduced glucose metabolism by inhibiting glycolysis, which inhibited LPS-induced macrophage proliferation and inflammatory cytokines release. We verified these results in a stable CB2R-/- RAW264.7 cell line. Moreover, we found that GW significantly inhibited the expression of hypoxia inducible factor 1α (HIF-1α). Using a stable HIF-1α-/- RAW264.7 cell line, we confirmed that GW reduced the release of inflammatory cytokines from macrophages and inhibited glycolysis by downregulating HIF-1α expression. In conclusion, activation of CB2Rs inhibits the proliferation of hepatic macrophages and release of inflammatory factors in ALF mice through downregulating HIF-1α to inhibit glycolysis.

6.
Artigo em Inglês | MEDLINE | ID: mdl-36595175

RESUMO

The investigation of the influence of soil-structure coupling on the vibration propagation pattern is the key to ensuring the reliability of the prediction of train-induced building vibration. This study selects different metro depots with over-track buildings as the research objects based on the existing engineering examples. It analyzes the general laws of vibration propagation from the ground soil to the building columns. The study provides valuable references for predicting vibration and designing vibration isolation measures for over-track buildings. Additionally, this study proposes a vibration prediction method for over-track buildings above metro depots based on the back propagation (BP) neural network model in machine learning. This model considers the soil-structure coupling loss in a data-driven manner based on the rich data samples, which avoids the problems of complex numerical simulation calculations and parameter uncertainties to some extent. This prediction method has a good balance of efficiency and convenience and also meets the accuracy requirements. It was judged to be a promising prediction method for the preliminary design stage of the over-track buildings above metro depots.

7.
Hypertens Res ; 2023 Jan 11.
Artigo em Inglês | MEDLINE | ID: mdl-36631552

RESUMO

The aim of this study was to assess the role of endothelial function measured by the reactive hyperemia index (RHI), arterial stiffness measured by the augmentation index (AIx), and Framingham's cardiovascular disease (CVD) risk score (FRS) in kidney function decline in patients with chronic kidney disease (CKD). The RHI and AIx@75 (adjusted for 75 heart beats per minute), both derived from peripheral arterial tonometry (EndoPAT), were measured in 428 CKD patients aged 18 years old and older during hospitalization. We evaluated kidney function and its decline (incident ≥40% decline in estimated glomerular filtration rate [eGFR] or initiation of renal replacement therapy) associated with the RHI, AIx@75, and FRS during follow-up for a median of 36 months. The mean age of the participants was 56 years old, and 63.8% were men. In Spearman correlation analysis, the FRS, AIx@75, and RHI levels inversely correlated with eGFR. Over a median follow-up of 36 months, 122 participants experienced kidney function decline. In multivariate Cox analysis, only the FRS remained independently associated with the progression of kidney function (HR, 1.37; 95% CI, 1.14 to 1.64; P = 0.001). Multivariable-adjusted spline regression models showed a positive linear relationship between the FRS and the risk of kidney function decline (P-overall = 0.001, P-nonlinear = 0.701). However, adding the FRS to a model containing kidney function markers did not improve risk prediction for kidney outcome (category-free net reclassification improvement index [cf-NRI] = 0.179, P = 0.084; integrated discrimination improvement [IDI] = 0.017, P = 0.128). Additionally, the increased risk of the outcome associated with an elevated FRS was particularly evident among CKD patients with eGFR ≥60 ml/min/1.73 m2 (eGFR ≥ 60 ml/min/1.73 m2 vs.< 60 ml/min/1.73 m2, P for interaction = 0.022). Participants with higher FRS levels were at increased risk of kidney function decline, emphasizing the important role of traditional CVD risk factors in the progression of CKD.

8.
Int J Ophthalmol ; 16(1): 60-66, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36659958

RESUMO

AIM: To characterize changes of corneal nerve morphology and tear indices in patients with neurotrophic keratitis (NK) treated with recombinant human nerve growth factor (rhNGF). METHODS: In a prospective observational study, six patients (nine eyes) were locally treated with rhNGF. Visual acuity, corneal fluorescein staining score, the heights of the tear river, lipid layer thickness (LLT), tear ferning (TF) test, conjunctival impression cytology (CIC) examination, the densities of cornea subbasal nerve fibers were determined before and after treatment. RESULTS: Compared with baseline, there was a significant difference in corneal fluorescence staining scores (P<0.01); all patient corneal epithelial defects recovered completely within 8wk, but there was no significant improvement in the height of the tear river (P=0.202). LLT was significantly increased when compared with baseline (P=0.042); however, the function of conjunctival goblet cells and mucin content did not significantly improve using the TF test and CIC examination (P=0.557, P=0.539). After 8wk of treatment, the average corneal subbasal nerve fiber density increased significantly (P<0.01), as did the number of corneal nerve fiber branches (P=0.001). CONCLUSION: RhNGF can increase the density of corneal subbasal nerve fibers, promote the healing of persistent corneal epithelial defects and corneal ulcers in patients with NK, also improving tear function partially.

9.
BMC Med Educ ; 23(1): 44, 2023 Jan 19.
Artigo em Inglês | MEDLINE | ID: mdl-36658530

RESUMO

BACKGROUND: In recent years, flipped classes have emerged and become popular in college medical education. However, due to the huge medical learning system and the limited pre-class study time of students, it is difficult to implement in all courses. And then we adopted the semi-flipped classes (SFCs) to evaluate its teaching effect. This study analysed three educational methods that can be used in oral medicine courses: online education, offline education, and semi-flipped classes. METHODS: We used two surveys to evaluate the three educational methods. In the first survey 46 teachers and 238 undergraduates shared their experience of the live-streaming and traditional offline courses offered in the different oral medicine curricula; we used anonymous questionnaires to evaluate their class experience. In the second survey 94 students shared their experience of the semi-flipped and traditional classrooms. Students who attended the SFCs in the experimental group learned about the oral mucosa disease by themselves using an online video course and then participated in offline interaction with teachers. The evaluation of the above educational methods was conducted using the anonymous questionnaires and final exam assessment. RESULTS: According to the first survey, teachers and students both agreed that the overall teaching experience and learning effectiveness in offline education are superior to those in online education. According to the second survey, students who participated in the SFCs performed better in the final exam than those who participated in the simple offline classes. Additionally, the survey showed that the new teaching method helped students gain more knowledge and positively influenced their clinical practice. CONCLUSIONS: Compared with the online and offline educational methods, the SFC showed better results in both the questionnaire and final exam assessment. Hence, the effectiveness of medical education can be improved by adopting a teaching mode that combines online and offline teaching methods. Scientific and logical SFCs designs, along with their effective implementation, would eventually make SFCs an important tool for medical education.


Assuntos
Medicina Bucal , Humanos , Currículo , Aprendizagem , Estudantes , Escolaridade , Aprendizagem Baseada em Problemas , Ensino
10.
Clin Interv Aging ; 18: 61-69, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36660542

RESUMO

Purpose: To investigate the relationship between benign prostatic hyperplasia (BPH)/lower urinary tract symptoms (LUTS) and renal function in elderly men aged 80 years and older. Patients and Methods: We selected 389 elderly men aged 80-97 years with BPH/LUTS hospitalized at The Second Division of General Geriatrics, The First Affiliated Hospital of Zhengzhou University, between July 2018 and July 2020. In the cross-sectional study, patients were divided into the treatment (233 patients) and non-treatment (156 patients) groups based on whether they received treatment for BPH/LUTS. In the prospective self-case-control study, we included 129 of the non-treatment group patients who received oral BPH/LUTS medication and completed the 6-month outpatient follow-up. We compared prostate indicators and renal function in the cross-sectional study and baseline and after-treatment data in the prospective self-case-control study. Multiple linear regression analysis was performed for risk factors affecting renal function before and after BPH/LUTS treatment. Results: In the cross-sectional study, renal function was significantly better in the treatment group than in the non-treatment group. In the subgroup analysis of the prospective self-case-control study, renal function significantly improved after treatment among patients with hypertension and those with chronic kidney disease (CKD) 3a, but not in the entire cohort. Multivariable linear regression analysis showed that hypertension (ß=2.06, 95% CI 0.40 to 3.71) and CKD 3a (ß=17.16, 95% CI 15.53 to 18.79) were independent risk factors for creatinine differences before and after treatment, whereas hypertension (ß=-2.27, 95% CI -3.65 to -0.89), CKD 3a (ß=-11.93, 95% CI -13.29 to -10.58), and baseline prostate volume (ß=-0.11, 95% CI -0.20 to -0.02) were independent risk factors for estimated glomerular filtration rate differences before and after treatment. Conclusion: Treatment for moderate and severe BPH/LUTS can improve renal function in elderly patients with hypertension or CKD 3a.


Assuntos
Hipertensão , Sintomas do Trato Urinário Inferior , Hiperplasia Prostática , Insuficiência Renal Crônica , Masculino , Idoso , Humanos , Hiperplasia Prostática/complicações , Hiperplasia Prostática/tratamento farmacológico , Estudos de Casos e Controles , Estudos Prospectivos , Estudos Transversais , Sintomas do Trato Urinário Inferior/tratamento farmacológico , Sintomas do Trato Urinário Inferior/etiologia , Hipertensão/complicações , Insuficiência Renal Crônica/complicações , Rim/fisiologia
11.
Heliyon ; 9(1): e12718, 2023 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-36685479

RESUMO

Objective: Rotavirus (RV), one of non-enveloped double-strained RNA viruses, can cause infantile diarrheal illness. It is widely accepted that RV is transmitted mainly via feces-oral route. However, infected asymptomatic adults are becoming the source of infection. It is necessary to explore the underlying mechanism of RV replication in adult's intestine. Methods: After recruiting healthy volunteers and RV asymptomatic carriers, we firstly investigated the association of animal-derived food intake with antibiotic level in urine samples. Secondly, we compared the difference in the structure of gut microbiota, and identified the taxa that most likely explained the difference. Finally, we investigated the impact of lipopolysaccharide (LPS), produced by gram-negative bacteria, on RV replication in vivo and in vitro. Results: We found that 10% of participants were RV asymptomatic carriers in our study. High intake of animal-derived food was positively correlated to antibiotic level in urine samples. The disrupted gut microbiota in RV carriers was characterized by high abundance of antibiotic resistant gram-negative bacteria and high level of LPS. The disrupted gut microbiota caused by penicillin treatment was benefit to RV replication in vivo. LPS enhanced RV thermal stability in vitro. Conclusions: Our findings suggest that the imbalanced gut microbiota caused by antibiotic exposure plays an important role in RV replication, and brings risk to health complications.

12.
Dig Liver Dis ; 2023 Jan 22.
Artigo em Inglês | MEDLINE | ID: mdl-36693767

RESUMO

BACKGROUND: The prognosis of patients with alcohol-associated cirrhosis (ALC) admitted to the intensive care unit (ICU) is poor. We developed and validated a nomogram (NIALC) for ICU patients with ALC. METHODS: Predictors of mortality were defined by a machine learning method in a cohort of 394 ICU patients with ALC from the Medical Information Mart for Intensive Care database. Then the nomogram (NIALC) was constructed and evaluated using the AUC. The MELD, MELD-sodium, Child-Pugh, and CLIF-SOFA scores were then compared with NIALC. Two datasets of 394 and 501 ICU patients with ALC were utilized for model validation. RESULTS: In-hospital mortality was 41% and 21% in the training and external validation sets. Predictors included were blood urea nitrogen, total bilirubin, prothrombin time, serum creatinine, lactate, partial thromboplastin time, phosphate, mean arterial pressure, lymphocytes, fibrinogen, and albumin. The AUCs for the NIALC were 0.767 and 0.760 in the two validation cohorts, which were better than those of the MELD, MELD-sodium, Child-Pugh, and CLIF-SOFA. CONCLUSION: We developed a nomogram for ICU patients with ALC, which demonstrated better discriminative ability than previous prognostic scores. This nomogram could be conveniently used to facilitate the individualized prediction of death in ICU patients with ALC.

13.
Inorg Chem ; 62(3): 1240-1249, 2023 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-36631392

RESUMO

Photocatalytic reduction of CO2 to value-added chemicals is known to be a promising approach for CO2 conversion. The design and preparation of ideal photocatalysts for CO2 conversion are of pivotal significance for the sustainable development of the whole society. In this work, we integrated two functional organic linkers to prepare a novel metal organic framework (MOF) photocatalyst {[Co(9,10-bis(4-pyridyl)anthracene)0.5(bpda)]·4DMF} (Co-MOF). The existence of anthryl and amino groups leads to a wide range of visible light absorption and efficient separation of photogenerated electrons. To extend the lifetime of photogenerated electrons in the photocatalytic system, we modified Co-MOF particles onto g-C3N4. As expected, Co-MOF/g-C3N4 composites exhibited an ultrahigh selectivity (more than 97%) in the photocatalytic process, and the highest CO production rate (1824 µmol/g/h) was 7.1 and 27.2 times of Co-MOFs and g-C3N4, respectively. What's more, we also discussed the reaction mechanism of the Co-MOF/g-C3N4 photocatalytic CO2 reduction, and this work paves the pathway for designing photocatalysts with ideal CO2 reduction performance.


Assuntos
Dióxido de Carbono , Estruturas Metalorgânicas , Luz , Elétrons
14.
Pharmacol Ther ; : 108344, 2023 Jan 09.
Artigo em Inglês | MEDLINE | ID: mdl-36632846

RESUMO

Precision oncology informed by genomic information has evolved in leaps and bounds over the last decade. Although non-small cell lung cancer (NSCLC) has moved to center-stage as the poster child of precision oncology, multiple targetable genomic alterations have been identified in various cancer types. RET alterations are occur in roughly 2% of all human cancers. The role of RET as oncogenic driver was initially identified in 1985 after the discovery that transfection with human lymphoma DNA transforms NIH-3 T3 fibroblasts. Germline RET mutations are causative of multiple endocrine neoplasia type 2 syndrome, and RET fusions are found in 10-20% of papillary thyroid cases and are detected in most patients with advanced sporadic medullary thyroid cancer. RET fusions are oncogenic drivers in 2% of Non-small cell lung cancer. Rapid translation and regulatory approval of selective RET inhibitors, selpercatinib and pralsetinib, have opened up the field of RET precision oncology. This review provides an update on RET precision oncology from bench to bedside and back. We explore the impact of selective RET inhibitor in patients with advanced NSCLC, thyroid cancer, and other cancers in a tissue-agnostic fashion, resistance mechanisms, and future directions.

15.
Nanoscale Horiz ; 2023 Jan 12.
Artigo em Inglês | MEDLINE | ID: mdl-36633326

RESUMO

Transition metal sulfides (TMSs) are promising electrocatalysts for hydrogen evolution reaction (HER), while TMSs usually suffer from inevitable surface oxidation in air, and the impact of the surface oxidation on their HER catalytic activity remains unclear. Herein, we demonstrate an effective strategy for reducing the surface oxidation degree of easily oxidized CoS2 by introducing glued vanadium pentoxide (V2O5) nanoclusters, taking advantage of the preferential adsorption and strong interaction between high-valence V and O2. Combining oxidation protection and elaborate oxidation control experiments reveal that reduced surface oxidation degree of CoS2 is conducive to affording promising HER catalytic performance, as the oxidized surface of CoS2 can hinder the dissociation of water and thus is harmful to the HER process. Direct evidence is provided that surface oxidation should be carefully considered for TMS-based HER catalysts. The present work not only develops a new strategy for protecting CoS2 from surface oxidation, but also provides deep insight into the impact of surface oxidation on the HER performance of transition metal compounds.

16.
iScience ; 26(1): 105732, 2023 Jan 20.
Artigo em Inglês | MEDLINE | ID: mdl-36590162

RESUMO

Huntington disease (HD) is a neurodegenerative disorder caused by expanded CAG repeats in the huntingtin gene that alters cellular homeostasis, particularly in the striatum and cortex. Astrocyte signaling that establishes and maintains neuronal functions are often altered under pathological conditions. We performed single-nuclei RNA-sequencing on human HD patient-induced pluripotent stem cell (iPSC)-derived astrocytes and on striatal and cortical tissue from R6/2 HD mice to investigate high-resolution HD astrocyte cell state transitions. We observed altered maturation and glutamate signaling in HD human and mouse astrocytes. Human HD astrocytes also showed upregulated actin-mediated signaling, suggesting that some states may be cell-autonomous and human specific. In both species, astrogliogenesis transcription factors may drive HD astrocyte maturation deficits, which are supported by rescued climbing deficits in HD drosophila with NFIA knockdown. Thus, dysregulated HD astrocyte states may induce dysfunctional astrocytic properties, in part due to maturation deficits influenced by astrogliogenesis transcription factor dysregulation.

17.
Artigo em Inglês | MEDLINE | ID: mdl-36598727

RESUMO

Assessing China's carbon emission efficiency (CEE) and analyzing efficiency state transition trends are necessary to accelerate the promotion of carbon emission reduction and achieve low carbon goals. This study evaluates China's economic and social environments by using the entropy weight method. The CEE of 30 Chinese provinces from 2006 to 2020 is measured using the three-stage slack-based model with an undesirable output. Then, this study introduces a Markov chain to explore the state transition trend of China's CEE. The research conclusions are as follows. First, compared with the social environment, the economic environment has a more significant impact on CEE. Second, the CEE of the eastern region is the highest, followed by that of the central region and the western region, which has the worst CEE. Third, the inefficiency of the central and western regions pulls down the overall CEE of China. Fourth, the state of China's CEE is gradually shifting to a high level; however, achieving a leapfrog shift is difficult.

18.
J Chem Inf Model ; 2023 Jan 16.
Artigo em Inglês | MEDLINE | ID: mdl-36647267

RESUMO

Molecular descriptors are essential to quantitative structure activity/property relationship (QSAR/QSPR) models and machine learning models. Here we propose persistent path-spectral (PPS), PPS-based molecular descriptors, and PPS-based machine learning model for the prediction of the protein-ligand binding affinity, for the first time. For the graph, simplicial complex, and hypergraph representation of molecular structures and interactions, the path-Laplacian can be constructed and the derived path-spectral naturally gives a quantitative description of molecules. Further, by introducing the filtration process of the representation, the persistent path-spectral can be derived, which gives a multiscale characterization of molecules. Molecular descriptors from the persistent path-spectral attributes then are combined with the machine learning model, in particular, the gradient boosting tree, to form our PPS-ML model. We test our model on three most commonly used data sets, i.e., PDBbind-v2007, PDBbind-v2013, and PDBbind-v2016, and our model can achieve competitive results.

19.
Aging Clin Exp Res ; 2023 Jan 11.
Artigo em Inglês | MEDLINE | ID: mdl-36629995

RESUMO

BACKGROUND: The relationship between the ratio of blood urea nitrogen to creatinine (BUN/Cr) and physical frailty in elderly patients remains unclear. The study aims to investigate the association between the BUN/Cr ratio and physical frailty in the elderly Chinese population. METHODS: In this cross-sectional analysis, the clinical data of 5213 participants from 2015 were selected from the China Health and Retirement Longitudinal Study (CHARLS). The demographic variables (including age and gender) and health behavior (including smoking and drinking history), anthropometric (including systolic and diastolic blood pressure, waist circumference (WC), etc.), physical performances (i.e., grip strength, repeated chair stands, etc.), and biochemical indicators (i.e., blood urea nitrogen (BUN), creatinine(Cr), total cholesterol (TC), triglycerides (TG), etc.) were measured. The association between the BUN/Cr ratio and physical frailty was analyzed. RESULTS: After adjusting for potential confounding factors, smooth curve fitting showed a linear relationship between the BUN/Cr ratio and grip strength, a non-linear relationship between the BUN/Cr ratio, and repeated chair-rising time. The fully adjusted linear regression results showed a negative association between the BUN/Cr ratio and grip strength. In the multivariate, piecewise linear regression, when the BUN/Cr ratio was greater than 18.60, the repeated chair-rising time increased with the increase in BUN/Cr ratio (ß = 0.046, 95%CI 0.025, 0.066; p < 0.001). However, we did not observe a significant correlation when the BUN/Cr ratio was less than 18.60 (ß = -0.007, 95%CI -0.046, 0.032; p = 0.717). CONCLUSION: This study demonstrated that the BUN/Cr ratio might be associated with physical frailty in older-aged Chinese, and this association requires further investigation.

20.
J Phys Chem Lett ; : 954-964, 2023 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-36688834

RESUMO

The structures of molecules and materials determine their functions. Understanding the structure and function relationship is the holy grail of molecular and materials sciences. However, the rational design of molecules and materials with desirable functions remains a grand challenge despite decades of efforts. A major obstacle is the lack of an intrinsic mathematical characteristic that attributes to a specific function. This work introduces persistent path topology (PPT) to effectively characterize directed networks extracted from functional units, such as constitutional isomers, cis-trans isomers, chiral molecules, Jahn-Teller isomerism, and high-entropy alloy catalysts. Path homology (PH) theory is utilized to decipher the role of mirror-symmetric sublattices that hinder the formation of periodic unit cells in amorphous solids. Topological perturbation analysis (TPA) is proposed to reveal the critical target in the blood coagulation system. The proposed topological tools can be directly applied to systems biology, omics sciences, topological materials, and machine learning study of molecular and materials sciences.

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