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1.
J Colloid Interface Sci ; 670: 152-162, 2024 Sep 15.
Article in English | MEDLINE | ID: mdl-38761568

ABSTRACT

Metal selenides are promising anode candidates for sodium ion batteries (SIBs) because of their high theoretical capacity, low cost, and environmental friendship. However, the low rate capability at high current density due to its inherent low electrical conductivity and poor cycle stability caused by inevitable volume variations during cycling frustrate its practical applications. Herein, we have developed a simple metallic-organic frameworks (MOFs)-derived selenide strategy to synthesize a series of heterogeneous bimetallic selenides encapsulated within graphene aerogels (GA) as anodes for SIBs. The bimetallic selenides/GA composites have unique structural characteristics that can shorten the migration path for Na+/electrons and accommodate the volume variations via additional void space during cycling. The built-in electric fields induced at the heterointerfaces can greatly reduce the activation energy for rapid charge transfer kinetics and promote the diffusion of Na+/electrons. GA is also beneficial for accommodating the volume variations during cycling and improving conductivity. As an advanced anode for SIBs, the MoSe2-Cu1.82Se@GA with a special porous octahedron can deliver the highest capacity of 444.8 mAh/g at a high rate of 1 A/g even after 1000 cycles among the bimetallic selenides/GA composites.

2.
J Cancer Res Clin Oncol ; 150(5): 285, 2024 May 30.
Article in English | MEDLINE | ID: mdl-38814494

ABSTRACT

INTRODUCTION: For HR-positive/HER2-negative patients who can undergo breast-conserving surgery (BCS) but have a tumor size of 2-5 cm or 1-3 lymph node metastases, neoadjuvant chemotherapy (NAC) is still controversial. METHODS: Patients with T2N0-1M0 HR-positive/HER2-negative BC who underwent BCS between 2010 and 2017 were selected from the SEER database. Propensity score matching (PSM) was used to minimize the influence of confounding factors. The overall survival (OS) and breast cancer-specific survival (BCSS) of patients were estimated by Kaplan‒Meier curves and Cox proportional hazard models. Independent prognostic factors were included to construct a nomogram prediction model. RESULTS: A total of 6475 BC patients were enrolled, of whom 553 received NAC and 5922 received adjuvant chemotherapy (AC). In the T2N0-1M0 population and T2N1M0 subgroup, AC patients before PSM had better OS and BCSS than NAC patients. After PSM, there was no significant difference in OS or BCSS between the two groups. However, in the T2N0M0 subgroup, there was no difference in survival between the AC and NAC groups before and after PSM. Stratified analysis revealed that for complete response (CR) patients, survival was roughly equivalent between the NAC and AC groups. However, the survival of no response (NR) and partial response (PR) patients was significantly worse than that of AC patients. Cox analysis revealed that radiotherapy after BCS was an independent protective factor for OS. NAC is an independent risk factor for NR and PR patients. The nomogram has good prediction efficiency. CONCLUSION: NAC before BCS is not necessary for T2N0-1M0 HR-positive/HER2-negative BC patients.


Subject(s)
Breast Neoplasms , Mastectomy, Segmental , Neoadjuvant Therapy , Receptor, ErbB-2 , Humans , Female , Breast Neoplasms/pathology , Breast Neoplasms/drug therapy , Breast Neoplasms/surgery , Breast Neoplasms/metabolism , Breast Neoplasms/mortality , Breast Neoplasms/therapy , Neoadjuvant Therapy/methods , Middle Aged , Receptor, ErbB-2/metabolism , Chemotherapy, Adjuvant/methods , Adult , Aged , Receptors, Estrogen/metabolism , Receptors, Progesterone/metabolism , Retrospective Studies , Neoplasm Staging , Prognosis , SEER Program
3.
Polymers (Basel) ; 16(7)2024 Mar 26.
Article in English | MEDLINE | ID: mdl-38611170

ABSTRACT

In order to improve the preparation efficiency, quality stability, and large-area preparation of superhydrophobic thin films, a roll-to-roll continuous micro-nano imprinting method for the efficient preparation of superhydrophobic polymer films is proposed. A wear-resistant mold roller with hierarchical microstructure is prepared by wire electrical discharge machining (WEDM). The rheological filling model is constructed for revealing the forming mechanism of superhydrophobic polymer films during continuous micro/nano imprinting. The effects of imprinting temperature, rolling speed and the surface texture size of the template on the surface texture formation rate of polymer films are analyzed. The experimental results show that, compared with other process methods, the template processed by WEDM shows excellent wear resistance. Moreover, the optimal micro/nano imprinting parameters are the mold temperature of 190 °C (corresponding film temperature of 85 ± 5 °C), rolling speed of 3 rpm and roller gap of 0.1 mm. The maximum contact angle of the polymer film is 154°. In addition, the superhydrophobic polymer thin film has been proven to have good self-cleaning and anti-icing performance.

4.
J Colloid Interface Sci ; 666: 424-433, 2024 Jul 15.
Article in English | MEDLINE | ID: mdl-38608637

ABSTRACT

High-nickel cobalt-free layered cathode is regarded as a highly potential cathode material for the next generation lithium ion batteries (LIBs) because of its high energy density, low cost and environmentally benign. However, the poor cycle performance caused by its intrinsic unstable structure and chemo-mechanical instability frustrates its practical applications. Herein, we have developed a new core-shell high-nickel cobalt-free layered LiNi0.95Mg0.02Al0.03O2@Li2ZrO3 (LZO-NMA9523) cathode for high-performance LIBs. The Li2ZrO3 coating layer firstly helps to suppress and reduce the degree of Li+/Ni2+ cation mixing during the material preparation process. In addition, the Li2ZrO3 coating layer can not only accommodate the volume variations and enhance the electricity of the active materials, but also effectively inhibit the harmful irreversible phase transition during the charging/discharging process, thus greatly stabilizing the structure of the high-nickel cobalt-free cathode. As an advanced cathode for LIBs, the LZO-NMA9523 exhibits an excellent reversible capacity of 146.9 mAh g-1 after 100 cycles at 0.5 C with capacity retention of about 80%. This study provides a possible high-nickel cobalt-free layered cathode material for the next generation LIBs.

5.
Small ; : e2312241, 2024 Mar 20.
Article in English | MEDLINE | ID: mdl-38506575

ABSTRACT

Solar interfacial evaporation technology has the advantages of environmentally conscious and sustainable benefits. Recent research on light absorption, water transportation, and thermal management has improved the evaporation performance of solar interfacial evaporators. However, many studies on photothermal materials and structures only aim to improve performance, neglecting explanations for heat and mass transfer coupling or providing evidence for performance enhancement. Numerical simulation can simulate the diffusion paths and heat and water transfer processes to understand the thermal and mass transfer mechanism, thereby better achieving the design of efficient solar interfacial evaporators. Therefore, this review summarizes the latest exciting findings and tremendous advances in numerical simulation for solar interfacial evaporation. First, it presents a macroscopic summary of the application of simulation in temperature distribution, salt concentration distribution, and vapor flux distribution during evaporation. Second, the utilization of simulation in the microscopic is summed up, specifically focusing on the movement of water molecules and the mechanisms of light responses during evaporation. Finally, all simulation methods have the goal of validating the physical processes in solar interfacial evaporation. It is hoped that the use of numerical simulation can provide theoretical guidance and technical support for the application of solar-driven interfacial evaporation technology.

6.
Sleep Med ; 116: 129-137, 2024 Apr.
Article in English | MEDLINE | ID: mdl-38460418

ABSTRACT

IMPORTANCE: Pediatric obstructive sleep apnea (OSA) is a common disease that can have significant negative impacts on a child's health and development. A comprehensive evaluation of different pharmacologic interventions for the treatment of OSA in children is still lacking. OBJECTIVE: This study aims to conduct a comprehensive systematic review and network meta-analysis of pharmacological interventions for the management of obstructive sleep apnea in pediatric population. DATA SOURCES: PubMed, Web of Science, Embase, The Cochrane Library, and CNKI were searched from 1950 to November 2022 for pediatric OSA. STUDY SELECTION: Multiple reviewers included Randomized controlled trials (RCTs) concerning drugs on OSA in children. DATA EXTRACTION AND SYNTHESIS: Multiple observers followed the guidance of the PRISMA NMA statement for data extraction and evaluation. Bayesian network meta-analyses(fixed-effect model) were performed to compare the weighted mean difference (WMD), logarithmic odds ratios (log OR), and the surface under the cumulative ranking curves (SUCRA) of the included pharmacological interventions. Our protocol was registered in PROSPERO website (CRD42022377839). MAIN OUTCOME(S) AND MEASURE(S): The primary outcomes were improvements in the apnea/hypopnea index (AHI), while secondary outcomes included adverse events and the lowest arterial oxygen saturation (SaO2). RESULTS: 17 RCTs with a total of 1367 children with OSA aged 2-14 years that met the inclusion criteria were eventually included in our systematic review and network meta-analysis. Ten drugs were finally included in the study. The results revealed that Mometasone + Montelukast (WMD-4.74[95%CrIs -7.50 to -2.11], Budesonide (-3.45[-6.86 to -0.15], and Montelukast(-3.41[-5.45 to -1.39] exhibited significantly superior therapeutic effects compared to the placebo concerning apnea hypopnea index (AHI) value with 95%CrIs excluding no effect. Moreover, Mometasone + Montelukast achieved exceptionally high SUCRA values for both AHI (85.0 %) and SaO2 (91.0 %). CONCLUSIONS AND RELEVANCE: The combination of mometasone furoate nasal spray and oral montelukast sodium exhibits the highest probability of being the most effective intervention. Further research is needed to investigate the long-term efficacy and safety profiles of these interventions in pediatric patients with OSA.


Subject(s)
Acetates , Cyclopropanes , Quinolines , Sleep Apnea, Obstructive , Sulfides , Child , Humans , Network Meta-Analysis , Acetates/therapeutic use , Sleep Apnea, Obstructive/drug therapy , Mometasone Furoate/therapeutic use
7.
J Colloid Interface Sci ; 658: 827-835, 2024 Mar 15.
Article in English | MEDLINE | ID: mdl-38154245

ABSTRACT

Transition metal selenides are promising anode candidates for sodium ion batteries (SIBs) because of their higher theoretical capacity and conductivity than metal oxides. However, the disadvantages of severe capacity degradation and poor magnification performance greatly limit their commercial applications. Herein, we have developed a new hollow bimetallic selenides (CoSe2-ZnSe)@reduced graphene oxide (rGO) composite with abundant heterointerfaces. The rGO could not only alleviate the volume variations of hollow CoSe2-ZnSe microspheres during cycling, but also improve the conductivity of composite. The presence of the heterointerfaces could help to accelerate ionic diffusion kinetics and improve electron transfer, resulting in the improved sodium storage performance. As an advanced anode for SIBs, the CoSe2-ZnSe@rGO exhibits an enhanced initial coulombic efficiency of 75.1% (65.2% of CoSe2@rGO), extraordinary rate capability, and outstanding cycling stability (540.3 mAh/g at 0.2 A/g after 150 cycles, and 395.2 mAh/g at 1 A/g after 600 cycles). The electrochemical mechanism was also studied by kinetic analysis, showing that the charging/discharging process of CoSe2-ZnSe@rGO is mostly related to a capacitive-controlled behavior.

8.
NPJ Biofilms Microbiomes ; 9(1): 82, 2023 Oct 30.
Article in English | MEDLINE | ID: mdl-37903770

ABSTRACT

There has been an increase in cardiovascular morbidity and mortality over the past few decades, making cardiovascular disease (CVD) the leading cause of death worldwide. However, the pathogenesis of CVD is multi-factorial, complex, and not fully understood. The gut microbiome has long been recognized to play a critical role in maintaining the physiological and metabolic health of the host. Recent scientific advances have provided evidence that alterations in the gut microbiome and its metabolites have a profound influence on the development and progression of CVD. Among the trillions of microorganisms in the gut, bifidobacteria, which, interestingly, were found through the literature to play a key role not only in regulating gut microbiota function and metabolism, but also in reducing classical risk factors for CVD (e.g., obesity, hyperlipidemia, diabetes) by suppressing oxidative stress, improving immunomodulation, and correcting lipid, glucose, and cholesterol metabolism. This review explores the direct and indirect effects of bifidobacteria on the development of CVD and highlights its potential therapeutic value in hypertension, atherosclerosis, myocardial infarction, and heart failure. By describing the key role of Bifidobacterium in the link between gut microbiology and CVD, we aim to provide a theoretical basis for improving the subsequent clinical applications of Bifidobacterium and for the development of Bifidobacterium nutritional products.


Subject(s)
Cardiovascular Diseases , Metabolic Diseases , Humans , Cardiovascular Diseases/therapy , Cardiovascular Diseases/etiology , Cardiovascular Diseases/metabolism , Bifidobacterium , Risk Factors , Obesity , Metabolic Diseases/complications
9.
ACS Nano ; 17(18): 18103-18113, 2023 Sep 26.
Article in English | MEDLINE | ID: mdl-37676245

ABSTRACT

Ether-based electrolytes are competitive choices to meet the growing requirements for fast-charging and low-temperature lithium-ion batteries (LIBs) due to the low viscosity and low melting point of ether solvents. Unfortunately, the graphite (Gr) electrode is incompatible with commonly used ether solvents due to their irreversible co-intercalation into Gr interlayers. Here, we propose cyclopentyl methyl ether (CPME) as a co-intercalation-free ether solvent, which contains a cyclopentane group with large steric hindrance to obtain weakly solvating power with Li+ and a wide liquid-phase temperature range (-140 to +106 °C). A weakly solvating electrolyte (WSE) based on CPME and fluoroethylene carbonate (FEC) cosolvents can simultaneously achieve fast desolvation ability and high ionic conductivity, which also induces a LiF-rich solid electrolyte interphase (SEI) on the Gr anode. Therefore, the Gr/Li half-cell with this WSE can deliver outstanding rate capability, stable cycling performance, and high specific capacity (319 mAh g-1) at an ultralow temperature of -60 °C. Furthermore, a practical LiFePO4 (loading ≈25 mg cm-2)/Gr (loading ≈12 mg cm-2) pouch cell with this WSE also reveals outstanding rate capability and stable long-term cycling performance above 1000 cycles with a high Coulombic efficiency (≈99.9%) and achieves an impressive low-temperature application potential at -60 °C.

10.
Adv Sci (Weinh) ; 10(30): e2302966, 2023 Oct.
Article in English | MEDLINE | ID: mdl-37712183

ABSTRACT

The development of lithium-sulfur (Li-S) batteries is severely limited by the shuttle effect and instability of Li-metal anode. Constructing Li-ion S batteries (LISBs), by using more stable commercial graphite (Gr) anode instead of Li-metal, is an effective way to realize long-cycle-life Li-S batteries. However, Gr electrode is usually incompatible with the ether-based electrolytes commonly used for Li-S batteries due to the Li+ -ether complex co-intercalation into Gr interlayers. Herein, a solvent molecule structure regulation strategy is provided to weaken the Li+ -solvent binding by increasing steric hindrance and electronegativity, to accelerate Li+ de-solvation process and prevent Li+ -ether complex co-intercalation into Gr anode. Meanwhile, the weakly solvating power of solvent can suppress the shuttle effect of lithium polysulfides and makes more anions participate in Li+ solvation structure to generate a stable anion-derived solid electrolyte interface on Gr surface. Therefore, a LISB coin-cell consisting of lithiated graphite anode and S@C cathode displays a stable capacity of ≈770 mAh g-1 within 200 cycles. Furthermore, an unprecedented practical LISB pouch-cell with a high Gr loading (≈10.5 mg cm-2 ) also delivers a high initial capacity of 802.3 mAh g-1 and releases a stable capacity of 499.1 mAh g-1 with a high Coulombic efficiency (≈95.9%) after 120 cycles.

11.
Pharmacol Res ; 194: 106837, 2023 08.
Article in English | MEDLINE | ID: mdl-37379962

ABSTRACT

Major depressive disorder (MDD) is a chronic relapsing psychiatric disorder. Conventional antidepressants usually require several weeks of continuous administration to exert clinically significant therapeutic effects, while about two-thirds of the patients are prone to relapse of symptoms or are completely ineffective in antidepressant treatment. The recent success of the N-methyl-D-aspartic acid (NMDA) receptor antagonist ketamine as a rapid-acting antidepressant has propelled extensive research on the action mechanism of antidepressants, especially in relation to its role in synaptic targets. Studies have revealed that the mechanism of antidepressant action of ketamine is not limited to antagonism of postsynaptic NMDA receptors or GABA interneurons. Ketamine produces powerful and rapid antidepressant effects by affecting α-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid receptors, adenosine A1 receptors, and the L-type calcium channels, among others in the synapse. More interestingly, the 5-HT2A receptor agonist psilocybin has demonstrated potential for rapid antidepressant effects in depressed mouse models and clinical studies. This article focuses on a review of new pharmacological target studies of emerging rapid-acting antidepressant drugs such as ketamine and hallucinogens (e.g., psilocybin) and briefly discusses the possible strategies for new targets of antidepressants, with a view to shed light on the direction of future antidepressant research.


Subject(s)
Depressive Disorder, Major , Ketamine , Animals , Mice , Ketamine/pharmacology , Ketamine/therapeutic use , Depressive Disorder, Major/drug therapy , Psilocybin/therapeutic use , Antidepressive Agents/pharmacology , Antidepressive Agents/therapeutic use , Disease Models, Animal , Receptors, N-Methyl-D-Aspartate
12.
Polymers (Basel) ; 15(11)2023 Jun 02.
Article in English | MEDLINE | ID: mdl-37299368

ABSTRACT

Coordination polymers (CPs) are organo-inorganic porous materials consisting of metal ions or clusters and organic linkers. These compounds have attracted attention for use in the fluorescence detection of pollutants. Here, two Zn-based mixed-ligand-bearing CPs, [Zn2(DIN)2(HBTC2-)2] (CP-1) and [Zn(DIN)(HBTC2-)]·ACN·H2O (CP-2) (DIN = 1,4-di(imidazole-1-yl)naphthalene, H3BTC = 1,3,5-benzenetricarboxylic acid, and ACN = acetonitrile), were synthesized under solvothermal conditions. CP-1 and CP-2 were characterized by single-crystal X-ray diffraction, Fourier transform infrared spectroscopy, thermogravimetric analysis, elemental analysis, and powder X-ray diffraction analysis. Solid-state fluorescence analysis revealed an emission peak at 350 nm upon excitation at 225 and 290 nm. Fluorescence sensing tests showed that CP-1 was highly efficient, sensitive, and selective for detecting Cr2O72- at 225 and 290 nm, whereas I- was only detected well at an excitation of 225 nm. CP-1 detected pesticides differently at excitation wavelengths of 225 and 290 nm; the highest quenching rates were for nitenpyram at 225 nm and imidacloprid at 290 nm. The quenching process may occur via the inner filter effect and fluorescence resonance energy transfer.

13.
Int J Nanomedicine ; 18: 2087-2107, 2023.
Article in English | MEDLINE | ID: mdl-37122500

ABSTRACT

Purpose: The present study aimed to construct a co-loading platform encapsulating curcumin and paclitaxel at ratios of 2:1-80:1 (w/w) designated "CU-PTX-LNP" and explored the synergistic effects of CU-PTX at different composite proportions on liver cancer cells using the combination index (CI) method. Methods: The CU lipid nanoplatform (CU-LNP) formulation was optimized via single-factor and orthogonal experiments. Various concentrations of PTX were added to the optimal formulation of CU-LNP to generate CU-PTX-LNP and the nanoplatform characterized via differential scanning calorimetry (DSC), transmission electron microscope (TEM), X-ray diffraction (XRD), zeta potential, polydispersity index (PDI), and size analyses. The cumulative release, stability, and cytotoxicity of CU-PTX-LNP in LO2, HepG2, and SMMC-7221 cells were assessed in vitro, followed by safety investigation and pharmacokinetic studies in vivo. The anti-tumor activity of CU-PTX-LNP was also evaluated using nude mice. Results: CU-PTX-LNP formulations containing CU:PTX at a range of proportions (2:1-80:1; w/w) appeared as uniformly dispersed nanosized spherical particles with high entrapment efficiency (EE> 90%), sustained release and long-lasting stability. Data from in vitro cytotoxicity assays showed a decrease in the IC50 value of PTX of CU-PTX-LNP (by 5.47-332.7 times in HepG2 and 4.29-143.21 times in SMMC-7221 cells) compared to free PTX. In vivo, CU-PTX-LNP displayed excellent biosafety, significant anti-tumor benefits and enhanced pharmacokinetic behavior with longer mean residence time (MRT(0-t); CU: 4.31-fold, PTX: 4.61-fold) and half-life (t1/2z; CU: 1.83-fold, PTX: 2.28-fold) relative to free drugs. Conclusion: The newly designed CU-PTX-LNP platform may serve as a viable technological support system for the successful production of CU-PTX composite preparations.


Subject(s)
Carcinoma, Hepatocellular , Curcumin , Liver Neoplasms , Animals , Mice , Carcinoma, Hepatocellular/drug therapy , Curcumin/pharmacology , Lipids/chemistry , Liver Neoplasms/drug therapy , Mice, Nude , Paclitaxel/pharmacokinetics
14.
Micromachines (Basel) ; 14(5)2023 May 06.
Article in English | MEDLINE | ID: mdl-37241626

ABSTRACT

The use of green and sustainable biomass-derived compounds to obtain excellent electrochemical properties is important to address growing environmental and energy issues. In this paper, cheap and abundant watermelon peel was used as a raw material to successfully synthesize nitrogen-phosphorus double-doped bio-based porous carbon by a one-step carbonization method and explore it as a renewable carbon source for low-cost energy storage devices. The supercapacitor electrode exhibited a high specific capacity of 135.2 F/g at a current density of 1 A/g in a three-electrode system. A variety of characterization methods and electrochemical tests indicate that porous carbon prepared by this simple method has great potential as electrode materials for supercapacitors.

15.
Molecules ; 28(8)2023 Apr 10.
Article in English | MEDLINE | ID: mdl-37110584

ABSTRACT

The carbon materials derived from discarded masks and lignin are used as adsorbent to remove two types of reactive dyes present in textile wastewater: anionic and cationic. This paper introduces the results of batch experiments where Congo red (CR) and Malachite green (MG) are removed from wastewater onto the carbon material. The relationship between adsorption time, initial concentration, temperature and pH value of reactive dyes was investigated by batch experiments. It is discovered that pH 5.0-7.0 leads to the maximum effectiveness of CR and MG removal. The equilibrium adsorption capacities of CR and MG are found to be 232.02 and 352.11 mg/g, respectively. The adsorption processes of CR and MG are consistent with the Freundlich and Langmuir adsorption models, respectively. The thermodynamic processing of the adsorption data reveals the exothermic properties of the adsorption of both dyes. The results show that the dye uptake processes follow secondary kinetics. The primary adsorption mechanisms of MG and CR dyes on sulfonated discarded masks and alkaline lignin (DMAL) include pore filling, electrostatic attraction, π-π interactions and the synergistic interactions between the sulphate and the dyes. The synthesized DMAL with high adsorption efficiency is promising as an effective recyclable adsorbent for adsorbing dyes, especially MG dyes, from wastewater.

16.
J Nanobiotechnology ; 21(1): 143, 2023 Apr 29.
Article in English | MEDLINE | ID: mdl-37120534

ABSTRACT

Colorectal cancer (CRC) has high incidence and mortality rates and is one of the most common cancers of the digestive tract worldwide. Metastasis and drug resistance are the main causes of cancer treatment failure. Studies have recently suggested extracellular vesicles (EVs) as a novel mechanism for intercellular communication. They are vesicular particles, which are secreted and released into biological fluids, such as blood, urine, milk, etc., by a variety of cells and carry numerous biologically active molecules, including proteins, nucleic acids, lipids, metabolites, etc. EVs play a crucial part in the metastasis and drug resistance of CRC by delivering cargo to recipient cells and modulating their behavior. An in-depth exploration of EVs might facilitate a comprehensive understanding of the biological behavior of CRC metastasis and drug resistance, which might provide a basis for developing therapeutic strategies. Therefore, considering the specific biological properties of EVs, researchers have attempted to explore their potential as next-generation delivery systems. On the other hand, EVs have also been demonstrated as biomarkers for the prediction, diagnosis, and presumed prognosis of CRC. This review focuses on the role of EVs in regulating the metastasis and chemoresistance of CRC. Moreover, the clinical applications of EVs are also discussed.


Subject(s)
Colorectal Neoplasms , Extracellular Vesicles , Humans , Extracellular Vesicles/metabolism , Cell Communication , Biomarkers/metabolism , Drug Resistance , Colorectal Neoplasms/metabolism
17.
Bioinformatics ; 39(5)2023 05 04.
Article in English | MEDLINE | ID: mdl-37084259

ABSTRACT

MOTIVATION: As an important group of proteins discovered in phages, anti-CRISPR inhibits the activity of the immune system of bacteria (i.e. CRISPR-Cas), offering promise for gene editing and phage therapy. However, the prediction and discovery of anti-CRISPR are challenging due to their high variability and fast evolution. Existing biological studies rely on known CRISPR and anti-CRISPR pairs, which may not be practical considering the huge number. Computational methods struggle with prediction performance. To address these issues, we propose a novel deep neural network for anti-CRISPR analysis (AcrNET), which achieves significant performance. RESULTS: On both the cross-fold and cross-dataset validation, our method outperforms the state-of-the-art methods. Notably, AcrNET improves the prediction performance by at least 15% regarding the F1 score for the cross-dataset test problem comparing with state-of-art Deep Learning method. Moreover, AcrNET is the first computational method to predict the detailed anti-CRISPR classes, which may help illustrate the anti-CRISPR mechanism. Taking advantage of a Transformer protein language model ESM-1b, which was pre-trained on 250 million protein sequences, AcrNET overcomes the data scarcity problem. Extensive experiments and analysis suggest that the Transformer model feature, evolutionary feature, and local structure feature complement each other, which indicates the critical properties of anti-CRISPR proteins. AlphaFold prediction, further motif analysis, and docking experiments further demonstrate that AcrNET can capture the evolutionarily conserved pattern and the interaction between anti-CRISPR and the target implicitly. AVAILABILITY AND IMPLEMENTATION: Web server: https://proj.cse.cuhk.edu.hk/aihlab/AcrNET/. Training code and pre-trained model are available at.


Subject(s)
Bacteriophages , Deep Learning , Neural Networks, Computer , Gene Editing , Proteins
18.
Bioinformatics ; 39(4)2023 04 03.
Article in English | MEDLINE | ID: mdl-36975610

ABSTRACT

MOTIVATION: We have entered the multi-omics era and can measure cells from different aspects. Hence, we can get a more comprehensive view by integrating or matching data from different spaces corresponding to the same object. However, it is particularly challenging in the single-cell multi-omics scenario because such data are very sparse with extremely high dimensions. Though some techniques can be used to measure scATAC-seq and scRNA-seq simultaneously, the data are usually highly noisy due to the limitations of the experimental environment. RESULTS: To promote single-cell multi-omics research, we overcome the above challenges, proposing a novel framework, contrastive cycle adversarial autoencoders, which can align and integrate single-cell RNA-seq data and single-cell ATAC-seq data. Con-AAE can efficiently map the above data with high sparsity and noise from different spaces to a coordinated subspace, where alignment and integration tasks can be easier. We demonstrate its advantages on several datasets. AVAILABILITY AND IMPLEMENTATION: Zenodo link: https://zenodo.org/badge/latestdoi/368779433. github: https://github.com/kakarotcq/Con-AAE.


Subject(s)
Multiomics , Single-Cell Analysis , Single-Cell Analysis/methods , Exome Sequencing , Sequence Analysis, RNA
19.
J Neuroinflammation ; 20(1): 84, 2023 Mar 27.
Article in English | MEDLINE | ID: mdl-36973813

ABSTRACT

Depression is a common mental illness, which is related to monoamine neurotransmitters and the dysfunction of the cholinergic, immune, glutamatergic, and neuroendocrine systems. The hypothesis of monoamine neurotransmitters is one of the commonly recognized pathogenic mechanisms of depression; however, the drugs designed based on this hypothesis have not achieved good clinical results. A recent study demonstrated that depression and inflammation were strongly correlated, and the activation of alpha7 nicotinic acetylcholine receptor (α7 nAChR)-mediated cholinergic anti-inflammatory pathway (CAP) in the cholinergic system exhibited good therapeutic effects against depression. Therefore, anti-inflammation might be a potential direction for the treatment of depression. Moreover, it is also necessary to further reveal the key role of inflammation and α7 nAChR in the pathogenesis of depression. This review focused on the correlations between inflammation and depression as well-discussed the crucial role of α7 nAChR in the CAP.


Subject(s)
Depression , alpha7 Nicotinic Acetylcholine Receptor , Humans , alpha7 Nicotinic Acetylcholine Receptor/metabolism , Cholinergic Agents , Inflammation/metabolism , Neuroimmunomodulation , Depression/metabolism
20.
Small ; 19(25): e2300571, 2023 Jun.
Article in English | MEDLINE | ID: mdl-36919633

ABSTRACT

High-energy-density Li metal batteries (LMBs) with Nickel (Ni)-rich cathode and Li-metal anode have attracted extensive attention in recent years. However, commercial carbonate electrolytes bring severe challenges including poor cycling stability, severe Li dendrite growth and cathode cracks, and narrow operating temperature window, especially hardly work at below -40 °C. In this work, a 2.4 m lithium difluoro(oxalato)borate (LiDFOB) in ethyl acetate (EA) solvent with 20 wt% fluorocarbonate (FEC) (named 2.4m-DEF) is designed to solve Li+ transport dynamic at low temperature and improve interfacial stability between electrolyte with Li anode or Ni-rich cathode. Beneficial lower freezing point, lower viscosity, and higher dielectric constant of EA solvent, the electrolyte exhibits excellent Li+ transport dynamic. Relying on the unique Li+ solvation structure, more DFOB- anions and FEC solvents are decomposed to establish a stable solid electrolyte interface at electrolyte/electrode. Therefore, LiNi0.9 Co0.05 Mn0.05 O2 (NCM90)/Li LMB with 2.4m-DEF enables excellent rate capability (184 mA h g-1 at 30 C) and stable cycling performance with ≈93.7% of capacity retention after 200 cycles at 20 C and room temperature. Moreover, the NCM90/Li LMB with 2.4m-DEF exhibits surprising ultra-low-temperature performance, showing 173 mA h g-1 at -40 °C and 152 mA h g-1 at -60 °C, respectively.

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