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  • 1
    Online Resource
    Online Resource
    Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease
    MDPI AG ; 2023
    In:  Molecules Vol. 28, No. 8 ( 2023-04-20), p. 3588-
    Details
    In: Molecules, MDPI AG, Vol. 28, No. 8 ( 2023-04-20), p. 3588-
    Abstract: Multi-target drug development has become an attractive strategy in the discovery of drugs to treat of Alzheimer’s disease (AzD). In this study, for the first time, a rule-based machine learning (ML) approach with classification trees (CT) was applied for the rational design of novel dual-target acetylcholinesterase (AChE) and β-site amyloid-protein precursor cleaving enzyme 1 (BACE1) inhibitors. Updated data from 3524 compounds with AChE and BACE1 measurements were curated from the ChEMBL database. The best global accuracies of training/external validation for AChE and BACE1 were 0.85/0.80 and 0.83/0.81, respectively. The rules were then applied to screen dual inhibitors from the original databases. Based on the best rules obtained from each classification tree, a set of potential AChE and BACE1 inhibitors were identified, and active fragments were extracted using Murcko-type decomposition analysis. More than 250 novel inhibitors were designed in silico based on active fragments and predicted AChE and BACE1 inhibitory activity using consensus QSAR models and docking validations. The rule-based and ML approach applied in this study may be useful for the in silico design and screening of new AChE and BACE1 dual inhibitors against AzD.
    Type of Medium: Online Resource
    ISSN: 1420-3049
    URL: Article
    DOI: 10.3390/molecules28083588
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2008644-1
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  • 2
    Online Resource
    Online Resource
    Fabrication of a Low-Cost Microfluidic Device for High-Throughput Drug Testing on Static and Dynamic Cancer Spheroid Culture Models
    MDPI AG ; 2023
    In:  Diagnostics Vol. 13, No. 8 ( 2023-04-11), p. 1394-
    Details
    In: Diagnostics, MDPI AG, Vol. 13, No. 8 ( 2023-04-11), p. 1394-
    Abstract: Drug development is a complex and expensive process from new drug discovery to product approval. Most drug screening and testing rely on in vitro 2D cell culture models; however, they generally lack in vivo tissue microarchitecture and physiological functionality. Therefore, many researchers have used engineering methods, such as microfluidic devices, to culture 3D cells in dynamic conditions. In this study, a simple and low-cost microfluidic device was fabricated using Poly Methyl Methacrylate (PMMA), a widely available material, and the total cost of the completed device was USD 17.75. Dynamic and static cell culture examinations were applied to monitor the growth of 3D cells. α-MG-loaded GA liposomes were used as the drug to test cell viability in 3D cancer spheroids. Two cell culture conditions (i.e., static and dynamic) were also used in drug testing to simulate the effect of flow on drug cytotoxicity. Results from all assays showed that with the velocity of 0.005 mL/min, cell viability was significantly impaired to nearly 30% after 72 h in a dynamic culture. This device is expected to improve in vitro testing models, reduce and eliminate unsuitable compounds, and select more accurate combinations for in vivo testing.
    Type of Medium: Online Resource
    ISSN: 2075-4418
    URL: Article
    DOI: 10.3390/diagnostics13081394
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2662336-5
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  • 3
    Online Resource
    Online Resource
    Fabrication of a Charge-Conversion Polymer—Liposome for Enhancing Endosomal Escape of Drug Delivery System for α–Mangostin
    MDPI AG ; 2023
    In:  Processes Vol. 11, No. 8 ( 2023-08-04), p. 2344-
    Details
    In: Processes, MDPI AG, Vol. 11, No. 8 ( 2023-08-04), p. 2344-
    Abstract: α–Mangostin, which is a natural xanthone compound, inhibits the metastasis and survival of various cancer cell types. However, its therapeutic effectiveness is limited by low water solubility and very poor absorption. There are several studies that developed the drug delivery system for α–mangostin, but they are still a remaining challenge. Drug delivery techniques are severely hampered by the breakdown of nanoparticles inside endosomes. The abrasive chemical environment in these compartments causes both the nanoparticles and the encapsulated α–mangostin to degrade throughout the course of the voyage. Intracellular defenses against external materials refer to this collective mechanism. A pH-responsive liposome named PAsp(DET-Cit)–Toc, made of lipids and a charge-conversion polymer (CCP), has been created for the targeted transport of α–mangostin in order to avoid this deteriorative outcome. The average hydrodynamic size of CCP–liposome particles is 98.59 ± 5.1 nm with a PDI of 0.098 ± 0.02 and a negative zeta potential of 22.31 ± 2.4 mV. TEM showed the shape of the spherical CCP–liposomes. α–Mangostin is successfully captured inside CCP–liposome and the loading yield reached the highest encapsulation efficiency of 83% with 150 μg/mL of α–mangostin. In the acidic condition of pH 5.0, an initial burst of α–mangostin reached 50% after 6 h in buffer solution. CCP–liposomes could escape from endosomes even after 3 h, and almost 80% of CCP–liposomes escaped after 24 h. The cell ability of α–mangostin-loaded-CCP–liposome incubated in buffer solutions of 5.0 decreased significantly and was close to free α–mangostin. Our data proved that α–mangostin-loaded CCP–liposome delivered more effectively α–mangostin into cells and prevented the degradation of α–mangostin inside cells, especially endosomal degradation.
    Type of Medium: Online Resource
    ISSN: 2227-9717
    URL: Article
    DOI: 10.3390/pr11082344
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2720994-5
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  • 4
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    Online Resource
    The Distribution of Dengue Virus Serotype in Quang Nam Province (Vietnam) during the Outbreak in 2018
    MDPI AG ; 2022
    In:  International Journal of Environmental Research and Public Health Vol. 19, No. 3 ( 2022-01-24), p. 1285-
    Details
    In: International Journal of Environmental Research and Public Health, MDPI AG, Vol. 19, No. 3 ( 2022-01-24), p. 1285-
    Abstract: Objectives: Quang Nam province in the Centre of Vietnam has faced an outbreak of dengue hemorrhagic fever (DHF) in 2018. Although DHF is a recurrent disease in this area, no epidemiological and microbiological reports on dengue virus serotypes have been conducted mainly due to lack of facilities for such a kind of advanced surveillance. The aim of this study was to detect different dengue virus serotypes in patients’ blood samples. Design and Methods: Suspected cases living in Quang Nam province (Vietnam) and presenting clinical and hematological signs of dengue hemorrhagic fever were included in the study. The screening was performed, and the results were compared by using two methodologies: RT real-time PCR (RT-rPCR) and the Dengue NS1 rapid test. Results: From December 2018 to February 2019, looking both at RT-rPCR [+] and NS1 [+] methodologies, a total of 488 patients were screened and 336 were positive for dengue virus detection (74 children and 262 adults); 273 of these patients (81.3%) underwent viral serotype identification as follows: 12.82% (35/273) D1 serotype, 17.95% (49/273) D2, 0.37% (1/273) D3, 68.50 (187/283) D4, and 0.37% (1/273) D2+D4 serotypes. The RT-rPCR outcomes showed higher sensitivity during the first three days of infection compared to NS1 (92.3% vs. 89.7%). The NS1 increased sensitivity after the first 3 days whilst the RT-rPCR decreased. Conclusions: Advanced surveillance with dengue virus serotypes identification, if performed routinely, may help to predict and prevent further DHF epidemics based on the exposure of the different serotypes during different periods that lead to the intensification of disease severity as a consequence of antibody-dependent enhancement (ADE).
    Type of Medium: Online Resource
    ISSN: 1660-4601
    URL: Article
    DOI: 10.3390/ijerph19031285
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2175195-X
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  • 5
    Online Resource
    Online Resource
    Rapid Quantitative Determination of Multiple Pesticide Residues in Mango Fruits by Surface-Enhanced Raman Spectroscopy
    MDPI AG ; 2022
    In:  Processes Vol. 10, No. 3 ( 2022-02-22), p. 442-
    Details
    In: Processes, MDPI AG, Vol. 10, No. 3 ( 2022-02-22), p. 442-
    Abstract: Imidacloprid, acephate, and carbaryl are common insecticides that are extensively used in planting mango, a well-known fruit in Vietnam, to ease mango hopper issues. The accurate detection of pesticide residues is critical for mango export to meet quality criteria. This study developed a novel SERS platform by using polydimethylsiloxane (PDMS) to simulate the rose petal structure incorporated with a silver coating layer and silver nanoparticles (AgNPs) to detect imidacloprid, acephate, and carbaryl in mango fruits. In this paper, the rose petal PDMS/Ag-AgNPs replica was considered the most efficient substrate for SERS measurement with an EF of 4.7 × 107. The Raman spectra of the three insecticides obtained from the PDMS/Ag-AgNPs substrate were clearly observed with their characteristic peaks of 1105 cm−1 for imidacloprid, 1083 cm−1, and 1579 cm−1 for acephate, and 727 cm−1 and 1378 cm−1 for carbaryl. The application of PDMS/Ag-AgNPs substrate in quantitative analysis of the three pesticides in mango fruit was evaluated. As a result, the limit of detection was 0.02 mg/kg for imidacloprid, 5 × 10−5 mg/kg for acephate, and 5 × 10−3 mg/kg for carbaryl. The SERS result also revealed that the pesticide residues in the mango sample were within an acceptable limit. This suggested the possibility of the rose petal PDMS/Ag-AgNPs replica for rapid quantification of pesticide residues not only in mango fruit but also in many other agricultural products.
    Type of Medium: Online Resource
    ISSN: 2227-9717
    URL: Article
    DOI: 10.3390/pr10030442
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2720994-5
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  • 6
    Online Resource
    Online Resource
    On the Degradation of Glyphosate by Photocatalysis Using TiO2/Biochar Composite Obtained from the Pyrolysis of Rice Husk
    MDPI AG ; 2021
    In:  Water Vol. 13, No. 23 ( 2021-11-24), p. 3326-
    Details
    In: Water, MDPI AG, Vol. 13, No. 23 ( 2021-11-24), p. 3326-
    Abstract: In this study, titanium dioxide (TiO2) nanoparticles are immobilized onto rice husk biochar (RHB), as a porous support, for the photodegradation of glyphosate under UV light irradiation. The TiO2/RHB composites are prepared by pyrolysis and the sol-gel method. The SEM, XRD, EDX, and FT-IR results confirm the graphene structure of RHB and the formation of 10.61 nm TiO2 nanoparticles on the catalyst support. The effects of operating conditions, including catalyst dosage (3 g L−1, 5 g L−1, 10 g L−1, and 20 g L−1) and different illumination conditions (9 W lamp, 2 × 9 W lamps), on the removal of glyphosate from aqueous solutions were investigated. The photodegradation efficiency of 15 mg L−1 of commercial glyphosate was up to 99% after 5 h of irradiation at pH 3.0, with a TiO2/RHB dosage of 10 g L−1. However, the mineralization efficiency under this condition was lower than the decomposition efficiency of glyphosate, proving the partial degradation of glyphosate into AMPA and other metabolites after 5 h of reaction.
    Type of Medium: Online Resource
    ISSN: 2073-4441
    URL: Article
    DOI: 10.3390/w13233326
    Language: English
    Publisher: MDPI AG
    Publication Date: 2021
    detail.hit.zdb_id: 2521238-2
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  • 7
    Online Resource
    Online Resource
    Chronic Pain and Associated Factors Related to Depression among Older Patients in Hanoi, Vietnam
    MDPI AG ; 2021
    In:  International Journal of Environmental Research and Public Health Vol. 18, No. 17 ( 2021-08-31), p. 9192-
    Details
    In: International Journal of Environmental Research and Public Health, MDPI AG, Vol. 18, No. 17 ( 2021-08-31), p. 9192-
    Abstract: The interaction of chronic pain and depression among older people has been studied for many years. This study aimed to investigate the frequency of chronic pain and depression among older patients and correlated factors. A cross-sectional study was conducted in 921 older patients at the National Geriatric Hospital from November 2019 to March 2020. We used the Charlson Comorbidity Index (CCI) to assess the comorbid condition, a numerical rating scale (NRS) to examine pain severity, and Geriatric Depression Scale—15 items (GDS-15) to measure depression among participants. A chi-square test and Tobit regression were used to analyze the relationships. A total of 921 older patients participated in the study. The proportion of depression accounted for 55.8%. The mean Charlson score and number of diseases were 1.2 and 4.7, respectively. A positive correlation was found between comorbidity and chronic pain and depression. Moreover, socio-demographic variables such as occupation, education, and income were associated with pain and depressive symptoms. This study highlights the issue of mental health in older people with chronic pain. The results indicate the necessity of frequent depression screening, pain management, and social activity programs for older people to enhance their health.
    Type of Medium: Online Resource
    ISSN: 1660-4601
    URL: Article
    DOI: 10.3390/ijerph18179192
    Language: English
    Publisher: MDPI AG
    Publication Date: 2021
    detail.hit.zdb_id: 2175195-X
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  • 8
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    Online Resource
    Optimization Conditions to Obtain Cationic Polyacrylamide Emulsion Copolymers with Desired Cationic Degree for Different Wastewater Treatments
    MDPI AG ; 2023
    In:  Polymers Vol. 15, No. 12 ( 2023-06-15), p. 2693-
    Details
    In: Polymers, MDPI AG, Vol. 15, No. 12 ( 2023-06-15), p. 2693-
    Abstract: The synthesis of cationic polyacrylamides (CPAMs) with the desired cationic degree and molecular weight is essential for various industries, including wastewater treatment, mining, paper, cosmetic chemistry, and others. Previous studies have already demonstrated methods to optimize synthesis conditions to obtain high-molecular-weight CPAM emulsions and the effects of cationic degrees on flocculation processes. However, the optimization of input parameters to obtain CPAMs with the desired cationic degrees has not been discussed. Traditional optimization methods are time-consuming and costly when it comes to on-site CPAM production because the input parameters of CPAM synthesis are optimized using single-factor experiments. In this study, we utilized the response surface methodology to optimize the synthesis conditions, specifically the monomer concentration, the content of the cationic monomer, and the content of the initiator, to obtain CPAMs with the desired cationic degrees. This approach overcomes the drawbacks of traditional optimization methods. We successfully synthesized three CPAM emulsions with a wide range of cationic degrees: low (21.85%), medium (40.25%), and high (71.17%) levels of cationic degree. The optimized conditions for these CPAMs were as follows: monomer concentration of 25%, content of monomer cation of 22.5%, 44.41%, and 77.61%, respectively, and initiator content of 0.475%, 0.48%, and 0.59%, respectively. The developed models can be utilized to quickly optimize conditions for synthesizing CPAM emulsions with different cationic degrees to meet the demands of wastewater treatment applications. The synthesized CPAM products performed effectively in wastewater treatment, with the treated wastewater meeting the technical regulation parameters. 1H-NMR, FTIR, SEM, BET, dynamic light scattering, and gel permeation chromatography were employed to confirm the structure and surface of the polymers.
    Type of Medium: Online Resource
    ISSN: 2073-4360
    URL: Article
    DOI: 10.3390/polym15122693
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2527146-5
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  • 9
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    How Digital Natives Learn and Thrive in the Digital Age: Evidence from an Emerging Economy
    MDPI AG ; 2020
    In:  Sustainability Vol. 12, No. 9 ( 2020-05-07), p. 3819-
    Details
    In: Sustainability, MDPI AG, Vol. 12, No. 9 ( 2020-05-07), p. 3819-
    Abstract: As a generation of ‘digital natives,’ secondary students who were born from 2002 to 2010 have various approaches to acquiring digital knowledge. Digital literacy and resilience are crucial for them to navigate the digital world as much as the real world; however, these remain under-researched subjects, especially in developing countries. In Vietnam, the education system has put considerable effort into teaching students these skills to promote quality education as part of the United Nations-defined Sustainable Development Goal 4 (SDG4). This issue has proven especially salient amid the COVID−19 pandemic lockdowns, which had obliged most schools to switch to online forms of teaching. This study, which utilizes a dataset of 1061 Vietnamese students taken from the United Nations Educational, Scientific, and Cultural Organization (UNESCO)’s “Digital Kids Asia Pacific (DKAP)” project, employs Bayesian statistics to explore the relationship between the students’ background and their digital abilities. Results show that economic status and parents’ level of education are positively correlated with digital literacy. Students from urban schools have only a slightly higher level of digital literacy than their rural counterparts, suggesting that school location may not be a defining explanatory element in the variation of digital literacy and resilience among Vietnamese students. Students’ digital literacy and, especially resilience, also have associations with their gender. Moreover, as students are digitally literate, they are more likely to be digitally resilient. Following SDG4, i.e., Quality Education, it is advisable for schools, and especially parents, to seriously invest in creating a safe, educational environment to enhance digital literacy among students.
    Type of Medium: Online Resource
    ISSN: 2071-1050
    URL: Article
    DOI: 10.3390/su12093819
    Language: English
    Publisher: MDPI AG
    Publication Date: 2020
    detail.hit.zdb_id: 2518383-7
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  • 10
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    Effects of MAT1-2 Spore Ratios on Fruiting Body Formation and Degeneration in the Heterothallic Fungus Cordyceps militaris
    MDPI AG ; 2023
    In:  Journal of Fungi Vol. 9, No. 10 ( 2023-09-27), p. 971-
    Details
    In: Journal of Fungi, MDPI AG, Vol. 9, No. 10 ( 2023-09-27), p. 971-
    Abstract: The medicinal mushroom Cordyceps militaris is widely exploited in traditional medicine and nutraceuticals in Asian countries. However, fruiting body production in C. militaris is facing degeneration through cultivation batches, and the molecular mechanism of this phenomenon remains unclear. This study showed that fruiting body formation in three different C. militaris strains, namely G12, B12, and HQ1, severely declined after three successive culturing generations using the spore isolation method. PCR analyses revealed that these strains exist as heterokaryons and possess both the mating-type loci, MAT1-1 and MAT1-2. Further, monokaryotic isolates carrying MAT1-1 or MAT1-2 were successfully separated from the fruiting bodies of all three heterokaryotic strains. A spore combination of the MAT1-1 monokaryotic isolate and the MAT1-2 monokaryotic isolate promoted fruiting body formation, while the single monokaryotic isolates could not do that themselves. Notably, we found that changes in ratios of the MAT1-2 spores strongly influenced fruiting body formation in these strains. When the ratios of the MAT1-2 spores increased to more than 15 times compared to the MAT1-1 spores, the fruiting body formation decreased sharply. In contrast, when MAT1-1 spores were increased proportionally, fruiting body formation was only slightly reduced. Our study also proposes a new solution to mitigate the degeneration in the heterokaryotic C. militaris strains caused by successive culturing generations.
    Type of Medium: Online Resource
    ISSN: 2309-608X
    URL: Article
    DOI: 10.3390/jof9100971
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2784229-0
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