Browse publications by year: 2024

  1. Cheong SM, Joseph B, Ahmad Idham K, Ahmad Rusyaidi MM, Yong JC, Adiana G
    Mar Pollut Bull, 2024 Dec;209(Pt A):117102.
    PMID: 39406063 DOI: 10.1016/j.marpolbul.2024.117102
    Pulau Kapas is tropical island which dominantly depends on land-supplied and groundwater for freshwater sources. The groundwater quality was monitored monthly, to identify the possible factors effecting the groundwater quality throughout May to October 2022. Physico-chemical parameters were in-situ measured and groundwater were collected for nutrients analysis in the laboratory. The concentration of ammonium, phosphate, nitrite, and nitrate were in the range of 0.07-1.08 mg/L, 0.00-0.06 mg/L, BDL-18 × 10-4 mg/L and 0.01-0.19 mg/L, respectively. The cluster and principal component analysis unveiled the seawater intrusion for freshwater needs was the dominant factor affecting the groundwater. Followed by the dissolution of soil particles surrounds the groundwater table, and the surface run-off by rainfall. In conclusion, the groundwater was affected by geogenic factors as it was not extensively extracted due to movement control order of Covid-19 event. This has provided significant insight for a better management plan in sustaining the groundwater of Pulau Kapas.
    MeSH terms: Environmental Monitoring*; Nitrates/analysis; Nitrites/analysis; Phosphates/analysis; Seawater/chemistry; Water Quality; Islands; Ammonium Compounds/analysis
  2. Lim KP, Sun C, Yusoff S, Ding J, Loh KH, Li J, et al.
    Mar Pollut Bull, 2024 Dec;209(Pt A):117112.
    PMID: 39406069 DOI: 10.1016/j.marpolbul.2024.117112
    Microplastic contamination is an emerging concern in marine ecosystems, with limited knowledge on its impact on coral reefs, particularly in Malaysia. Surface waters were collected from several coral reef regions in Peninsular Malaysia by towing a plankton net behind the boat. Microplastics were detected at all sites, with a mean abundance of 0.344 ± 0.457 MP/m3. Perhentian Islands (0.683 ± 0.647 MP/m3) had significantly higher microplastic levels than Tioman Island (0.108 ± 0.063 MP/m3), likely due to oceanographic differences. Over half of the microplastics (55.7 %) were small microplastics (<1 mm), with the 0.05-0.5 mm size class being most abundant (29.2 %). Fragments and fibres dominated, and black, blue, and green were the prevalent colours. Polyethylene (PE), rayon (RY), chlorinated polyethylene (CPE), and polypropylene (PP) were the most common polymers. This study reveals the abundance and characteristics of microplastics, provides important data for further research on microplastics in coral reef ecosystem.
    MeSH terms: Environmental Monitoring*; Malaysia; Ecosystem; Risk Assessment; Polyethylene; Coral Reefs*
  3. Shankar VS, De K, Mandal S, Jacob S, Satyakeerthy TR
    Mar Pollut Bull, 2024 Dec;209(Pt A):117145.
    PMID: 39461182 DOI: 10.1016/j.marpolbul.2024.117145
    The increasing occurrence of mismanaged plastic litter along India's coastline and the ominous challenges it poses to biodiversity and ecosystem health is a growing environmental concern. To address this issue, we comprehensively investigated the abundance, composition, and probable sources of marine litter on North Cinque Island, a remote uninhabited island in the Andaman and Nicobar archipelago, Bay of Bengal. This island is a designated wildlife sanctuary and serves as an important nesting site for Green, Hawksbill and Leatherback turtles. A total of 6227 litter items were enumerated, with an average concentration of 0.12 items/m2, representing 20 diverse litter types, with plastic dominating the litter composition (86 %). The cleanliness and environmental hazards of the coast due to the litter were assessed using different indices such as the Clean Coast Index (CCI), Plastic Accumulation Index (PAI), Hazardous Item Index (HII), and Clean Environment Index (CEI). CCI indicates the moderately clean-to-clean status of the surveyed sites. PAI points to low to moderate accumulation of plastic litter. HII of all five coasts fell in category II, suggesting a moderate abundance of hazardous items that can inflict injuries to the foraging turtle and their hatchlings. The CEI articulates the moderately clean to very clean status of the sites. Litter brand audit suggests a considerable amount of stranded litter on the coasts was transboundary and originated from six Indian Ocean Rim Countries (IORC), namely Thailand, Myanmar, Malaysia, Indonesia, Sri Lanka, and UAE. Joint solid waste management by the IORC is the need of the hour to avert litter accumulation on the pristine, remote islands.
    MeSH terms: Animals; Environmental Monitoring*; India; Plastics; Turtles; Ecosystem; Risk Assessment; Biodiversity; Islands*
  4. Bao X, Sadiq M, Tye W, Zhang J
    J Environ Manage, 2024 Dec;371:123113.
    PMID: 39481154 DOI: 10.1016/j.jenvman.2024.123113
    As global concerns over climate change and sustainability grow, Environmental, Social, and Governance (ESG) factors have become critical in evaluating corporate practices. In China, the increasing adoption of ESG ratings by investors has highlighted discrepancies in these ratings, which may impact corporate risk. While extensive research exists on ESG performance, the effects of ESG rating disparities on corporate risk, particularly in Chinese enterprises, remain underexplored, especially the mediating role of financing constraints. Utilizing data from Chinese A-share listed companies from 2015 to 2022, this study examines the impact of Environmental, Social, and Governance (ESG) rating disparities on corporate risk, focusing on the mediating role of financing constraints. The findings indicate that discrepancies in ESG ratings significantly increase corporate risk, particularly in non-state-owned enterprises and heavily polluting industries, while having no significant impact on state-owned enterprises. Discrepancies in governance ratings exert the greatest impact on corporate risk, underscoring the critical role of corporate governance. Financing constraints further exacerbate the impact of rating discrepancies on corporate risk. These results provide new insights into enhancing the ESG rating system and mitigating corporate risk, offering a foundation for relevant policy-making.
    MeSH terms: China; Conservation of Natural Resources; Humans; Industry; Climate Change*
  5. Wang L, Qi Y, Cao L, Song L, Hu R, Li Q, et al.
    Environ Pollut, 2024 Dec 15;363(Pt 2):125228.
    PMID: 39486677 DOI: 10.1016/j.envpol.2024.125228
    Since the increasing number of polybutylene adipate terephthalate (PBAT)-based plastics entering the environment, the search for sustainable treatment methods has become a primary focus of contemporary research. Composting offers a novel approach for managing biodegradable plastics. However, a significant challenge in the composting process is how to control nitrogen loss and enhance plastic degradation. In this context, the effect of various additives on nitrogen retention, PBAT plastics degradation, and microbial community dynamics during composting was investigated. The findings revealed that the addition of nitrogen-fixing bacteria Azotobacter vinelandii and biochar (AzBC) significantly improved nitrogen retention and accelerated PBAT rupture within 40 days of composting. Specifically, the PBAT degradation rate in the AzBC group reached 29.6%, which increased by 12.14% (P 
    MeSH terms: Biodegradation, Environmental*; Phthalic Acids/metabolism; Plastics/metabolism; Polyesters/metabolism; Soil Microbiology; Soil Pollutants/metabolism; Azotobacter vinelandii/metabolism; Biodegradable Plastics/metabolism
  6. Jayawardane V, Anggraini V, Tran MV, Mirzababaei M, Syamsir A
    Environ Sci Pollut Res Int, 2024 Nov;31(54):63262-63286.
    PMID: 39480575 DOI: 10.1007/s11356-024-35401-4
    In municipal solid waste (MSW) landfills, biodegradation of the organic MSW fraction results in elevated waste and basal liner temperatures which have the potential to cause the clay component of the basal liner to experience severe moisture loss over time and eventually undergo desiccation cracking. Cracking of the basal liner's clay component would result in an uncontrolled release of contaminants into the surrounding environment and ultimately give rise to a variety of major environmental concerns. Accordingly, this study examined the variation of temperature-moisture profiles along the depth of a compacted clay liner (CCL) exposed to different constant elevated waste temperatures (CETs) in the absence and presence of two heat reduction techniques, respectively. Rockwool insulation layers with varying thicknesses and galvanized steel cooling pipes with varying flowrates were introduced separately as the two heat reduction techniques. Introduction of both techniques led to a significant attenuation of the temperature rise and desiccation experienced by the CCL in the face of different CETs. An increase in rockwool thickness increments led to a progressive reduction of CCL temperature, while an increase in flow rate under turbulent condition did not have a significant influence on the temperature and desiccation reduction of the CCL. Nevertheless, the present study certainly highlights the potential of the two proposed heat reduction techniques to minimize desiccation and consequently increase the service life of CCLs exposed to different elevated temperatures in MSW landfills.
    MeSH terms: Aluminum Silicates/chemistry; Hot Temperature*; Solid Waste*; Waste Disposal Facilities*
  7. Gong Y, Kang J, Wang M, Firdaus Mohd Hayati M, Wah Goh LP, Bin Syed Abdul Rahim SS
    Hum Vaccin Immunother, 2024 Dec 31;20(1):2429237.
    PMID: 39588915 DOI: 10.1080/21645515.2024.2429237
    Immunotherapy has emerged as a crucial advancement in pulmonary carcinoma treatment. Nevertheless, its unique side effects not only reduce patients' quality of life but also affect treatment efficacy, with severe cases potentially endangering the patient's life. This study uses bibliometric analysis to perform a comprehensive bibliometric analysis literature on IRAEs in lung cancer from 1991 to 2023, retrieved from the Web of Science database. The dataset was analyzed using VOSviewer and CiteSpace to identify trends, key contributors, and emerging research areas. A total of 124 publications were analyzed, revealing a notable increase in research activity post-2015, with China and the USA contributing over 50% of the studies. This research highlights the importance of understanding IRAEs and suggests future investigations into the pulmonary microbiota and tumor microenvironment.
    MeSH terms: Humans; Quality of Life; Bibliometrics*; Tumor Microenvironment/immunology; Drug-Related Side Effects and Adverse Reactions/epidemiology
  8. Ashrafzadeh A, Yajit NLM, Nathan S, Othman I, Karsani SA
    J Proteome Res, 2024 Nov 26.
    PMID: 39591502 DOI: 10.1021/acs.jproteome.4c00926
    Crossbreeding of zebu cattle (Bos indicus) with European breeds (Bos taurus) producing crossbred cattle was performed to overcome the low growth rates and milk production of indigenous tropical cattle breeds. However, zebu cattle fertility is higher than those of crossbred cattle and European breeds under warm conditions. Combination study of proteomics and metabolomics toward Malaysian indigenous breed Kedah × Kelantan-KK (B. indicus) and crossbreed Mafriwal-M (B. taurus × B. indicus) to understand physiological reasons for higher thermotolerance and fertility in Zebu cattle sperm. 161 regulated metabolites and 96 regulated proteins in KK and M (p < 0.05) showed more efficient carbohydrate and energy metabolism, higher integrity of the DNA and plasma membrane, a lower level of reactive oxygen species, and higher levels of phospholipids, which confirmed higher sperm plasma membrane integrity in KK. A stronger antioxidant system and lower polyunsaturated fatty acids help KK sperm cope with oxidative stress under warm conditions. The higher abundance of flagella structural proteins in KK provides a stronger structure that supports sperm motility. Abnormality of flagella, plasma membrane disruption, and DNA fragmentation were higher in M. These findings provide selective molecular markers for developing high-producing and more thermotolerant cattle breeds in tropical areas (197 words).
  9. Tan J, Feng L, Ragavan ND, Chai Theam O, Li X
    Biochem Biophys Res Commun, 2024 Dec 31;741:151013.
    PMID: 39591906 DOI: 10.1016/j.bbrc.2024.151013
    This study investigates the role of Caspase-11 in Chronic Kidney Disease (CKD) and examines the therapeutic potential of inhibiting Caspase-11 using exosome-mediated siRNA. We established a CKD rat model and analyzed the expression of Caspase-11 through immunohistochemistry. The study involved overexpressing Caspase-11 using an adeno-associated virus (AAV) and constructing exosomes loaded with siRNA targeting Caspase-11 (exo-si-Caspase-11). Renal tissue damage and fibrosis were assessed using H&E staining, Masson's trichrome, TUNEL assay, and Sirius Red staining. Additionally, urinary protein and blood urea nitrogen (BUN) levels were measured, alongside analyses of serum calcium and phosphorus levels. H&E staining was performed to evaluate the effects of exo-si-Caspase-11 on damage to the heart, liver, spleen, and lungs. The results showed that the CKD model group experienced significant weight loss, increased blood pressure, and elevated Caspase-11 expression. AAV-mediated Caspase-11 overexpression led to substantial renal fibrosis, increased apoptosis, and elevated urinary protein and BUN levels. Additionally, the group with Caspase-11 overexpression exhibited elevated serum calcium and phosphorus levels. Conversely, treatment with exo-si-Caspase-11 reduced these pathological changes in renal tissue without causing damage to other major organs. These findings suggest that exosome-mediated siRNA delivery targeting Caspase-11 is an effective therapeutic strategy for CKD.
    MeSH terms: Dependovirus/genetics; Animals; Disease Models, Animal*; Fibrosis; Kidney/metabolism; Kidney/pathology; Male; Rats, Sprague-Dawley*; Apoptosis/genetics; Rats; Caspase 12; Caspases, Initiator/genetics; Caspases, Initiator/metabolism
  10. Low JSY, Teh HF, Thevarajah TM, Chang SW, Khor SM
    Biosens Bioelectron, 2024 Nov 16;270:116949.
    PMID: 39591924 DOI: 10.1016/j.bios.2024.116949
    SERS detects single molecules with exceptional sensitivity. To counter the issue of selectivity faced by point-of-care, herein, an externally applied electric field that allows electrical modulation and electromigrates unbound SERS tags without multiple washing steps is successfully developed and demonstrated to improve the biosensor's selectivity and sensitivity in multiplexed detection of cTnI, HDL, and LDL in human serum at a low LoD. Ultra-sensitive detectors can detect signals from non-specifically absorbed species, and these species can cover up overlapping analyte peaks, amplifying the effect of non-specific binding. Even though antifouling molecules can prevent non-specific adsorption at the sensor interface, this approach does not completely eliminate it. Our significant findings show that an electrically regulated device can electromigrate non-specifically bound species without cross-reacting with endogenous albumin proteins. Stability, repeatability, and reproducibility were good, with an RSD of 10%. Artificial intelligence was employed to interpret and analyze high-dimensional fingerprint SERS spectra using feature selection and dimensionality reduction for accurate acute myocardial infarction diagnosis and prognosis. These machine learning methods allow quantification of cTnI, HDL, and LDL biomarkers with low RMSE. Machine learning classifiers showed strong AUROC values of 0.950 ± 0.111 and 0.884 ± 0.139 for early and recurrent AMI detection, respectively. A high negative predictive value (NPV) of ≥99% indicates an effective early AMI rule-out. In short, this work demonstrated that a simple, low-cost, electrophoretic modulated biosensor with machine learning can diagnose, rule out, and predict recurring AMI.
  11. Tharanga S, Ünlü ES, Hu Y, Sjaugi MF, Çelik MA, Hekimoğlu H, et al.
    Brief Bioinform, 2024 Nov 22;26(1).
    PMID: 39592151 DOI: 10.1093/bib/bbae607
    Sequence diversity is one of the major challenges in the design of diagnostic, prophylactic, and therapeutic interventions against viruses. DiMA is a novel tool that is big data-ready and designed to facilitate the dissection of sequence diversity dynamics for viruses. DiMA stands out from other diversity analysis tools by offering various unique features. DiMA provides a quantitative overview of sequence (DNA/RNA/protein) diversity by use of Shannon's entropy corrected for size bias, applied via a user-defined k-mer sliding window to an input alignment file, and each k-mer position is dissected to various diversity motifs. The motifs are defined based on the probability of distinct sequences at a given k-mer alignment position, whereby an index is the predominant sequence, while all the others are (total) variants to the index. The total variants are sub-classified into the major (most common) variant, minor variants (occurring more than once and of incidence lower than the major), and the unique (singleton) variants. DiMA allows user-defined, sequence metadata enrichment for analyses of the motifs. The application of DiMA was demonstrated for the alignment data of the relatively conserved Spike protein (2,106,985 sequences) of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and the relatively highly diverse pol gene (2637) of the human immunodeficiency virus-1 (HIV-1). The tool is publicly available as a web server (https://dima.bezmialem.edu.tr), as a Python library (via PyPi) and as a command line client (via GitHub).
    MeSH terms: Algorithms; Humans; Software*; Genetic Variation*; Viruses/classification; Viruses/genetics; HIV-1/classification; HIV-1/genetics; Computational Biology/methods
  12. Jiang L, Qu Y
    Sci Rep, 2024 Nov 26;14(1):29328.
    PMID: 39592633 DOI: 10.1038/s41598-024-78898-y
    Understanding the core competencies of English for Specific Purposes (ESP) students is vital for designing ESP curricula and refining methodologies. This study sought to comprehensively assess the core competencies of Business English students in Chinese higher vocational colleges (HVCs). A questionnaire survey was conducted among 394 Business English students from five HVCs. The survey evaluated core competencies across gender and academic grades using a model comprisinging four primary dimensions and twelve sub-modules. The results revealed significant disparities in core competency development among Business English students, particularly across gender and academic grades within the specified competence indicator dimensions. These findings highlight the need to enhance in the core competencies of these students, indicating current deficienciess in their development. The identified disparities and areas for improvement in core competencies provide valuable insights for educators and institutions to customize teaching methodologies and improve curriculum design, better addressing the needs of Business English students in HVCs.
    MeSH terms: Adult; China; Commerce/education; Curriculum; Female; Humans; Language; Male; Surveys and Questionnaires; Students*; Universities; Vocational Education/methods; Young Adult
  13. Moaf FO, Rajabi AM, Abdelgader HS, Kurpińska M, Murali G, Miśkiewicz M
    Sci Rep, 2024 Nov 26;14(1):29396.
    PMID: 39592785 DOI: 10.1038/s41598-024-81112-8
    The research necessity stems from the need to understand and evaluate the performance of Two-Stage Concrete (TSC) under triaxial compression conditions, as prior studies have predominantly focused on uniaxial and biaxial testing of conventional concrete (CC). This study represents the first comprehensive investigation into the triaxial compressive strength and related mechanical properties of TSC, addressing a critical gap in the existing body of literature. Three different mixtures were prepared, including one CC and two TSC variants with varying cement content. The results and behavior of these mixtures were compared to assess their performance. Findings reveal that TSC, particularly those types with finer aggregates, demonstrates superior shear strength, achieving up to 52.4 MPa under dry conditions, in contrast to the 48.38 MPa observed in CC. Furthermore, TSC exhibits remarkable stress tolerance, withstanding up to 82.04 MPa, significantly outperforming CC, which withstands only 69.61 MPa under similar conditions. This behavior can be attributed to the higher coarse aggregate content, the increased interaction and contact points between coarse aggregates, the improved bonding between them, and the inherent properties of the grout. TSC also maintains a higher modulus of elasticity and internal friction angles, indicating superior deformation behavior and shear resistance. Additionally, TSC shows greater resilience to moisture, suggesting its potential suitability for use in variable moisture environments. These properties highlight the strength of TSC for high-load applications and its suitability for infrastructure prone to environmental fluctuations.
  14. Lemlem M, Aklilu E, Mohamed M, Kamaruzzaman NF, Devan SS, Lawal H, et al.
    BMC Microbiol, 2024 Nov 26;24(1):499.
    PMID: 39592959 DOI: 10.1186/s12866-024-03653-2
    BACKGROUND: Extended spectrum beta-lactamase-producing Escherichia coli (ESBL-EC) is an increasing public health threat. This study aimed to determine the prevalence and characterization of ESBL-producing Escherichia coli (E. coli) isolated from broiler chicken and their farm environment, in Kelantan Malaysia.

    METHODS: Escherichia coli was isolated from 453 collected samples, including 210 cloacal swabs and 243 environmental samples. The antimicrobial susceptibility profile of the E. coli isolates was assessed for sixteen antibiotics using the disc diffusion method. The E. coli isolates were evaluated for phenotypic ESBL production using modified double disc synergy. After extraction of genomic DNA, ESBL resistance genes, phylogenetic group, and virulence genes were detected by PCR using appropriate primers. ESBL genes were further confirmed by sequencing. The molecular typing of E. coli strains was determined by Multilocus Sequence Typing (MLST).

    RESULTS: A total of 93.8% (425/453) E. coli were isolated from the collected samples. Out of 334 E. coli isolates screened, 14.7% (49/334) were phenotypically ESBL producers. All the ESBL-EC were resistant to tetracycline, ciprofloxacin, and ampicillin. Thus, 100% of the ESBL-EC were multidrug resistant. Of the ESBL-EC 81.6% were positive for at least one ESBL encoding gene. The most prevalent ESBL gene detected was blaTEM (77.6%; 38/49) followed by blaCTX-M (32.7%; 16/49) and blaSHV (18.4%; 9/49). The majority of ESBL-EC belonged to phylogenic groups A followed by B1 accounting for 44.9% and 12.2%, respectively. The most frequently identified sequence types were ST10 (n = 3) and ST206 (n = 3). The most detected virulence genes in the E. coli isolates were astA (33.3%; 22/66) followed by iss (15.2%; 10/66).

    CONCLUSIONS: Our results show both broiler chicken and their respective farms environment were reservoirs of multi-drug resistant ESBL-producing E. coli and ESBL resistance genes.

    MeSH terms: Animals; Environmental Microbiology; Malaysia/epidemiology; Microbial Sensitivity Tests; Phylogeny*; Poultry Diseases/microbiology; Poultry Diseases/epidemiology; Prevalence; Drug Resistance, Multiple, Bacterial/genetics; Escherichia coli Proteins/genetics; Virulence Factors/genetics; Multilocus Sequence Typing*; Farms*
  15. Shamsuri AS, Sim EU
    BMC Res Notes, 2024 Nov 26;17(1):346.
    PMID: 39593139 DOI: 10.1186/s13104-024-06995-2
    OBJECTIVE: This research investigates the potential anti-tumour effects of bromelain, an aqueous extract from pineapple stems and fruits, on nasopharyngeal cancer (NPC). While bromelain is known for its medicinal properties in various cancers, its impact on NPC remains unexplored.

    RESULTS: Using in silico methods, we studied the predicted interactions between bromelain and key proteins involved in NPC oncogenesis, specifically β-catenin, PIK3CA, mTOR, EGFR, and BCL2. Molecular docking strategies were performed using a myriad of computational tools. A 3D model of bromelain was constructed using SWISS-MODEL, followed by molecular docking simulations performed with ClusPro. The binding affinities of the docked complexes were evaluated using HawkDock, and the interactions were analysed with LigPlot+. The docking scores indicated potential spontaneous interactions, with binding affinities based on being - 103.89 kcal/mol (PIK3CA), -73.16 kcal/mol (EGFR), -71.18 kcal/mol (mTOR), -65.22 kcal/mol (β-catenin), and - 57.48 kcal/mol (BCL2). LigPlot + analysis revealed the presence of hydrogen bonds, hydrophobic interactions, and salt bridges, indicating stable predicted interactions.

    CONCLUSION: Our findings suggest that bromelain can target key proteins involved in NPC oncogenesis, with the strongest affinity towards PIK3CA. This suggests a hypothetical insight into bromelain's anticancer effects on NPC through the modulation of the PI3K/Akt signaling pathway.

    MeSH terms: Computer Simulation; Humans; Protein Binding/drug effects; Proto-Oncogene Proteins c-bcl-2/metabolism; Phosphatidylinositol 3-Kinases/metabolism; Catalytic Domain/drug effects; Class I Phosphatidylinositol 3-Kinases/metabolism; Molecular Docking Simulation*; Carcinogenesis/drug effects; Carcinogenesis/metabolism; ErbB Receptors/metabolism
  16. Sayaf AM, Kousar K, Suleman M, Albekairi NA, Alshammari A, Mohammad A, et al.
    BMC Chem, 2024 Nov 26;18(1):236.
    PMID: 39593151 DOI: 10.1186/s13065-024-01347-4
    Hypoxia-inducible factors (HIFs) are transcription factors that regulate erythropoietin (EPO) synthesis and red blood cell (RBC) production. Prolyl-4-hydroxylase domain (PHD) enzymes are key regulators of HIF's stability and activity. Inhibiting PHD enzymes can enhance HIF-mediated responses and have therapeutic potential for diseases such as anemia, cancer, stroke, ischemia, neurodegeneration, and inflammation. In this study, we searched for novel PHD inhibitors from four databases of natural products and synthetic compounds: AfroDb Natural Products, AnalytiCon Discovery Natural Product (NP), HIM-Herbal Ingredients In-Vivo Metabolism, and Herbal Ingredients' Targets, with a total number of 13,597 compounds. We screened the candidate compounds by molecular docking and validated them by molecular dynamics simulations and free energy calculations. We identified four target hits (ZINC36378940, ZINC2005305, ZINC31164438, and ZINC67910437) that showed stronger binding affinity to PHD2 compared to the positive control, Vadadustat (AKB-6548), with docking scores of - 13.34 kcal/mol, - 12.76 kcal/mol, - 11.96 kcal/mol, - 11.41 kcal/mol, and - 9.04 kcal/mol, respectively. The target ligands chelated the active site iron and interacted with key residues (Arg 383, Tyr329, Tyr303) of PHD2, in a similar manner as Vadadustat. Moreover, the dynamic stability-based assessment revealed that they also exhibited stable dynamics and compact trajectories. Then the total binding free energy was calculated for each complex which revealed that the control has a TBE of - 31.26 ± 0.30 kcal/mol, ZINC36378940 reported a TBE of - 38.65 ± 0.51 kcal/mol, for the ZINC31164438 the TBE was - 26.16 ± 0.30 kcal/mol while the ZINC2005305 complex reported electrostatic energy of - 32.75 ± 0.58 kcal/mol. This shows that ZINC36378940 is the best hit than the other and therefore further investigation should be performed for the clinical usage. Our results suggest that these target hits are promising candidates that reserve further in vitro and in vivo validations as potential PHD inhibitors for the treatment of renal anemia, cancer, stroke, ischemia, neurodegeneration, and inflammation.
  17. Liu Y, Sun J, Wen Z, Wang J, Roopesh MS, Pan D, et al.
    Food Res Int, 2024 Dec;197(Pt 1):115267.
    PMID: 39593346 DOI: 10.1016/j.foodres.2024.115267
    Pea protein isolate (PPI) is a valued sustainable protein source, but its relatively poor functional properties limit its applications. This study reports on the effects of cold argon plasma (CP) treatment of a 15 % (w/w) PPI solution on the functionality, structure, and oxidative characteristics of PPI, as well as its application in 3D-printed plant-based meat. Results indicate that hydroxyl radicals and high-energy excited-state argon atoms are the primary active substances. A decrease in free sulfhydryl content and an increase in carbonyl content were observed in treated PPI, indicating oxidative modification. Compared to the control group, the gel strength of PPI was increased by 62.5 % and the storage modulus was significantly improved after 6 min treatment, forming a more ordered and highly cross-linked 3D gel network. Additionally, CP significantly improved the water-holding capacity, oil-holding capacity, emulsifying activity, and emulsion stability of PPI. The α-helix and random coil content in PPI decreased, while the β-sheet content increased, resulting in a more ordered secondary structure after CP treatment. Compared to untreated PPI, the consistency coefficient (K) increased from 36.00 to 47.68 Pa·sn. The treated PPI exhibited higher apparent viscosity and storage modulus and demonstrated better 3D printing performance and self-supporting ability. This study demonstrates that CP can significantly enhance the functional properties of PPI, providing great potential and prospects for improving the printability of 3D printing materials and developing plant protein foods with low-allergenicity.
    MeSH terms: Argon/chemistry; Emulsions/chemistry; Food Handling/methods; Oxidation-Reduction; Peas/chemistry; Printing, Three-Dimensional*
  18. Li J, Rao W, Sun Y, Zhou C, Xia Q, He J, et al.
    Food Res Int, 2024 Dec;197(Pt 1):115271.
    PMID: 39593348 DOI: 10.1016/j.foodres.2024.115271
    This study investigated the effects of plasma-activated water (PAW) generated with argon at discharge times of 0, 4, 8, 12, and 16 min on the gel properties and structures of chicken myofibrillar protein (MP). Under treatments of 8, 12, and 16 min, both the gel strength and water retention capacity of MP significantly improved, with the gel strength (0.53 N) peaking at 16 min and the lowest cooking loss(30.38 %). As the treatment time increased from 0 to 16 min, the storage modulus also gradually increased. Results from low-field nuclear magnetic resonance indicated a slowing of water proton mobility, with the proportion of bound water rising from 0.26 % (0 min) to 0.52 % at 16 min. Fourier transform infrared spectroscopy, endogenous fluorescence spectroscopy and scanning electron microscopy confirmed PAW's alteration of MP's secondary and tertiary structures and gel microstructure. Additionally, this study explored the influence of argon PAW's primary active species on MP from a molecular docking perspective·H2O2 could form hydrogen bonds with MP, while O3 and NO2‾could interact via both hydrogen bonds and electrostatic interactions. Thus, PAW can alter protein structure and enhance MP's functional properties, providing insights for applying cold plasma in processing chicken gel products.
    MeSH terms: Animals; Chickens*; Cooking/methods; Hydrogen Bonding; Muscle Proteins/metabolism; Muscle Proteins/chemistry; Myofibrils/metabolism; Myofibrils/chemistry; Spectroscopy, Fourier Transform Infrared; Plasma Gases/chemistry; Molecular Docking Simulation*
  19. Cheng Y, Zheng Y, Cai X, Wang L, Zhou C, Cao J, et al.
    Food Res Int, 2024 Dec;197(Pt 1):115166.
    PMID: 39593377 DOI: 10.1016/j.foodres.2024.115166
    This study examined the impact of pre-acidification induction on the quality attributes and flavor retention of ready-to-cook (RTC) goose meat products. The results demonstrated that pre-acidification could influence the eating qualities of RTC goose meat by effectively regulating the physicochemical properties of goose myofibrillar proteins (MP) including solubility and water-holding capacity. Elevated carbonyl contents indicated an enhanced gel-forming capacity in RTC goose meat during storage, accompanied with reduced total sulfhydryl contents from enhanced protonation pretreatment and augmented lipid oxidation. Structural characterization of MP via sodium dodecyl sulfate-polyacrylamide gel electrophoresis, circular dichroism spectroscopy, and intrinsic fluorescence revealed the formation of a dense protein matrix under highly acidic conditions. Furthermore, the headspace concentration of aldehydes increased by 3.23 times upon enhancing the pre-acidification intensity, resulting in the production of esters and acidic flavor compounds with favorable aromas. Correlation analysis demonstrated the dependence of headspace concentrations of volatile constituents on the acidification-enhanced surface hydrophobicity of MP, attributed to the modified binding sites of proteins after pre-acidification. Current results have indicated both the positive and negative influence of pre-acidulation induction on the eating quality of goose meat products, suggesting the necessity of introducing extra processes to modulate the quality of prefabricated products.
    MeSH terms: Animals; Cooking*; Food Handling/methods; Geese*; Hydrogen-Ion Concentration; Myofibrils/chemistry; Solubility; Taste; Fast Foods/analysis; Hydrophobic and Hydrophilic Interactions
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