Six pyrophosphate analogues are prepared from zerumbone, murrayafoline A, acridone, and 4-hydroxycoumarin via 1,3-dipolar cycloaddition reactions. Their in vitro cytotoxic activity is evaluated ...against HepG2, LU-1, and HeLa cancer cell lines. Among them, diisopropyl ((ethoxy((4-((1-methoxy-3-methyl-9H-carbazol-9-yl)methyl)-1H-1,2,3-triazol-1-yl)methyl)phosphoryl)methyl)phosphonate (6a) and diisopropyl ((ethoxy((4-(((3-methyl-9H-carbazol-1-yl)oxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)phosphoryl)methyl)phosphonate (6b) are found to show activity against HepG2, LU-1, and HeLa cancer cell lines, with IC50 values ranging from 7.31 to 17.88 μM.
Computational approaches, including physics- and knowledge-based methods, have commonly been used to determine the ligand-binding affinity toward SARS-CoV-2 main protease (Mpro or 3CLpro). Strong ...binding ligands can thus be suggested as potential inhibitors for blocking the biological activity of the protease. In this context, this paper aims to provide a short review of computational approaches that have recently been applied in the search for inhibitor candidates of Mpro. In particular, molecular docking and molecular dynamics (MD) simulations are usually combined to predict the binding affinity of thousands of compounds. Quantitative structure-activity relationship (QSAR) is the least computationally demanding and therefore can be used for large chemical collections of ligands. However, its accuracy may not be high. Moreover, the quantum mechanics/molecular mechanics (QM/MM) method is most commonly used for covalently binding inhibitors, which also play an important role in inhibiting the activity of SARS-CoV-2. Furthermore, machine learning (ML) models can significantly increase the searching space of ligands with high accuracy for binding affinity prediction. Physical insights into the binding process can then be confirmed
physics-based calculations. Integration of ML models into computational chemistry provides many more benefits and can lead to new therapies sooner.
In the study, we doped N into TiO2 lattice to narrow its band gap energy. Then, the synthesized N doped TiO2 material was combined with AgI to form AgI/N–TiO2 (ANT) direct Z scheme materials. The ...synthesized materials were utilized for photocatalytic removal of tetracycline (TC) using visible irradiation as an excitation source. We also conducted radical scavenging experiments to determine photocatalytic degradation mechanism. We investigated that these photo-excited electrons (e−) in N–TiO2 conduction band tended to combine with the left holes (h+) in AgI valence band maintaining h+ in the valence band of the N–TiO2 and e− in the conduction band of the AgI. The remained e− and h+ have high redox potential to initiate for photocatalytic decomposition of TC. Thus, the TC degradation by the ANT materials were significant greater than those by single components (AgI or N–TiO2). We also investigated that the TC degradation by the ANT-30 material, which the AgI: N–TiO2 molar ratio was 30%, exhibited that highest degradation efficiency. Finally, the ANT photocatalyst exhibited excellent stability during TC degradation processes supporting for its promising potential application in practical systems.
is a species of shrub found in the Northern provinces of Vietnam. Its roots contain different carbazolic derivatives, mainly Murrayafoline A (Mu-A), which exhibits valuable biological activities. In ...this study, we performed an extraction of Mu-A from the roots of
and optimized this process using response surface methodology (RSM) according to a central composite design, with three independent parameters including extraction time (min), extraction temperature (°C), and solvent/material ratio (mL/g). Two dependent variables were the Mu-A content (mg/g raw materials) and extraction efficiency (%). The optimal conditions to extract Mu-A were found to be as follows: extraction temperature, 67°C; extraction time, 165 min; and solvent/material ratio, 5:1. Under these conditions, the Mu-A content and extraction efficiency were 38.94 ± 1.31 mg/g raw materials and 34.98 ± 1.18%, respectively. Mu-A exhibited antiproliferation and antitumor-promoting activity against the HepG-2 cell line. The present optimization work of Mu-A extraction from
roots contributed to the attempt of designing a large-scale extraction process for the compound and further exploitation of its potential
applications.
Although "social isolation" protects the life and health of Vietnamese citizens from the adverse effects of the COVID-19 pandemic, it also triggers massive reductions in the economic activities of ...the country.
our study aimed to identify negative impacts of COVID-19 on occupations of Vietnamese people during the first national lockdown, including the quality and quantity of jobs as well as adverse problems at work due to COVID-19.
A cross-sectional study using web-based platforms was conducted during the first time of social isolation in Vietnam at the beginning of April 2020. We utilized a respondent-driven sampling technique to select 1423 respondents from 63 cities and provinces over Vietnam. Exploratory factor analysis (EFA) was used to define sub-domains of perceived impacts of COVID-19 on occupations.
Approximately two-thirds of respondents reported decreases in their income (61.6%), and 28.2% reported that their income deficit was 40% and above. The percentage of female individuals having decreased revenue due to COVID-19 was higher than that of male respondents (65.2% and 54.7%, respectively). "Worry that colleagues exposed to COVID-19 patients" and "Being alienated because employment-related to COVID-19" accounted for the highest score in each factor. Compared to healthcare workers, being self-employed/unemployed/retired were less likely to suffer from "Increased workload and conflicts due to COVID-19" and "Disclosure and discrimination related to COVID-19 work exposure."
Our study revealed a drastic reduction in both the quality and quantity of working, as well as the increased fear and stigmatization of exposure to COVID-19 at workplaces. Health protection and economic support are immediate targets that should be focused on when implementing policies and regulations.
This study explores the possibility of applying high-gravity rotating packed bed (HGRPB) in removing H
S and CO
from biogas. Ca(OH)
aqueous solution was used as the absorbent in this study. Different ...experimental conditions including solution pH, rotating speed (
) of HGRPB, gas flow rate (
), and liquid flow rate (
) were investigated with respect to the removal efficiency (
) of H
S and CO
. The experimental and simulated results show that the optimal removal efficiency of H
S and CO
using HGRPB achieved nearly the same as 99.38 and 99.56% for removal efficiency of H
S and 77.28 and 77.86% for removal efficiency of CO
, respectively. Such efficiencies corresponded with the following optimal conditions: a solution pH of 12.26, HGRPB reactor with the rotating speed of 1,200 rpm, the gas flow rate of 2.46 (L/min), and the liquid flow rate of 0.134 (L/min).
Liver cancer, of which human hepatocellular carcinoma (HCC) is the most common type, represents the second most common cause of death from cancer worldwide. To date, treatments remain mostly ...ineffective and efforts are made to discover new molecules or therapeutic strategies against HCC. Mortalin, an hsp70 chaperone protein, is overexpressed in various cancer, including HCC. Mortalin sequesters p53 into the cytoplasm, thereby inhibiting its translocation to the nucleus and consequently, its cellular functions. Inhibition of mortalin–p53 interactions, which should activate the apoptotic process and the subsequent cell death, has thus been proposed as an anticancer strategy. In silico screening of a database of 354 natural compounds identified solasonine, a steroidal glycoalkaloid from Solanaceae, as a potent inhibitor of p53–mortalin interactions. Pharmacological studies confirmed that solasonine was able to inhibit efficiently mortalin–p53 interaction in HCC HepG2 cell line that expresses both mortalin and p53. This resulted in p53 translocation to the nucleus. Solasonine‐induced apoptosis and cell death of HCC cell lines either expressing p53 (HepG2) or not (Hep3b), indicating that apoptotic activities of solasonine can be mediated not only through p53‐dependent but also p53‐independent pathways. The cytotoxic effects of solasonine correlated in part with its apoptotic properties and differed in the two HCC cell lines, being reversed by pifithrin‐α, an inhibitor of p53 functions, in HepG2 cells but not in Hep3b cells. Nonapoptotic cell death was also observed, notably in Hep3b cells.
Correction for 'Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro
physics- and knowledge-based approaches' by Son Tung Ngo
,
, 2022, https://doi.org/10.1039/d2cp04476e.
YVO4:Eu3+ nanoparticles were successfully synthesized by two methods, namely the sonochemical method and hydrothermal method. The X-ray diffraction (XRD) patterns showed the tetragonal phase of YVO4 ...(JCPDS 17-0341) was indexed in the diffraction peaks of all samples. The samples synthesized by the sonochemical method had a highly crystalline structure (X-ray diffraction results) and luminescence intensity (photoluminescence results) than those synthesized by the hydrothermal method. According to the results of field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM), the average size of YVO4:Eu3+ nanoparticles was around 25–30 nm for the sonochemical method and 15–20 nm for the hydrothermal method. YVO4:Eu3+ nanoparticles in the case of the sonochemical method had a better crystalline structure and stronger emissivity at 618 nm. The Eu3+ ions’ average lifetime in YVO4:Eu3+ at 618 nm emission under 275 nm excitation were at 0.955 ms for the sonochemical method and 0.723 ms for the hydrothermal method. The security ink for inkjet devices contained YVO4:Eu3+ nanoparticles, the binding agent as polyethylene oxide or ethyl cellulose and other necessary solvents. The device used for security label printing was an inkjet printer with an electrohydrodynamic printing technique (EHD). In the 3D optical profilometer results, the width of the printed line was ~97–167 µm and the thickness at ~9.1–9.6 µm. The printed security label obtained a well-marked shape, with a size at 1.98 × 1.98 mm.
Correction for 'Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations' by Minh Quan Pham
et al.
,
RSC Adv.
, 2020,
10
, 31991-31996,
...https://doi.org/10.1039/D0RA06212J
.
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