Browse publications by year: 2024

  1. Wong CX, Tse HF, Choi EK, Chao TF, Inoue K, Poppe K, et al.
    Nat Rev Cardiol, 2024 Dec;21(12):841-843.
    PMID: 39322762 DOI: 10.1038/s41569-024-01091-1
  2. Loiodice A, Bailly S, Ruckly S, Buetti N, Barbier F, Staiquly Q, et al.
    Clin Microbiol Infect, 2024 Dec;30(12):1559-1568.
    PMID: 39326671 DOI: 10.1016/j.cmi.2024.09.011
    OBJECTIVES: Hospital-acquired bloodstream infections (HA-BSI) in the intensive care unit (ICU) are common life-threatening events. We aimed to investigate the association between early adequate antibiotic therapy and 28-day mortality in ICU patients who survived at least 1 day after the onset of HA-BSI.

    METHODS: We used individual data from a prospective, observational, multicentre, and intercontinental cohort study (Eurobact2). We included patients who were followed for ≥1 day and for whom time-to-appropriate treatment was available. We used an adjusted frailty Cox proportional-hazard model to assess the effect of time-to-treatment-adequacy on 28-day mortality. Infection- and patient-related variables identified as confounders by the Directed Acyclic Graph were used for adjustment. Adequate therapy within 24 hours was used for the primary analysis. Secondary analyses were performed for adequate therapy within 48 and 72 hours and for identified patient subgroups.

    RESULTS: Among the 2418 patients included in 330 centres worldwide, 28-day mortality was 32.8% (n = 402/1226) in patients who were adequately treated within 24 hours after HA-BSI onset and 40% (n = 477/1192) in inadequately treated patients (p 

    MeSH terms: Aged; Aged, 80 and over; Female; Humans; Intensive Care Units*; Male; Middle Aged; Prognosis; Prospective Studies; Proportional Hazards Models
  3. Eskandari A, Leow TC, Rahman MBA, Oslan SN
    Eur Biophys J, 2024 Nov;53(7-8):385-403.
    PMID: 39327310 DOI: 10.1007/s00249-024-01719-7
    Antifreeze proteins (AFPs) have unique features to sustain life in sub-zero environments due to ice recrystallization inhibition (IRI) and thermal hysteresis (TH). AFPs are in demand as agents in cryopreservation, but some antifreeze proteins have low levels of activity. This research aims to improve the cryopreservation activity of an AFPIV. In this in silico study, the helical peptide afp1m from an Antarctic yeast AFP was modeled into a sculpin AFPIV, to replace each of its four α-helices in turn, using various computational tools. Additionally, a new linker between the first two helices of AFPIV was designed, based on a flounder AFPI, to boost the ice interaction activity of the mutants. Bioinformatics tools such as ExPASy Prot-Param, Pep-Wheel, SOPMA, GOR IV, Swiss-Model, Phyre2, MODFOLD, MolPropity, and ProQ were used to validate and analyze the structural and functional properties of the model proteins. Furthermore, to evaluate the AFP/ice interaction, molecular dynamics (MD) simulations were executed for 20, 100, and 500 ns at various temperatures using GROMACS software. The primary, secondary, and 3D modeling analysis showed the best model for a redesigned antifreeze protein (AFP1mb, with afp1m in place of the fourth AFPIV helix) with a QMEAN (Swiss-Model) Z score value of 0.36, a confidence of 99.5%, a coverage score of 22%, and a p value of 0.01. The results of the MD simulations illustrated that AFP1mb had more rigidity and better ice interactions as a potential cryoprotectant than the other models; it also displayed enhanced activity in limiting ice growth at different temperatures.
    MeSH terms: Amino Acid Sequence; Ice; Mutation*; Molecular Dynamics Simulation*
  4. Che Zain MS, Danish M, Shaari K, Fakurazi S
    Daru, 2024 Dec;32(2):689-703.
    PMID: 39340725 DOI: 10.1007/s40199-024-00540-z
    BACKGROUND: Amorphous hydrogel is a strategic wound healing dressings that comprised of water, polymers and excipients with no shape. The dense cross-linked network of polymer is interspersed by the immobilized water component could rehydrate and promote healing in wound tissue.

    OBJECTIVE: In this work, various polysaccharide/gelatin amorphous hydrogels with the impregnation of oil palm leaf derived total flavonoid enriched extract (OPL-TFEE) were fabricated via one-pot synthesis method to provide multiple crosslinking networks.

    METHOD: The bioflavonoids (OPL-TFEE) were derived from Elaeis guineensis leaf using an integrated green extraction and enrichment process. Amorphous hydrogels with good wound healing properties were developed by incorporating 0.3% antioxidant agent into the hybrid polymeric gelling system.

    RESULT: The formulations appeared as a semi-solid dark yellow translucent hydrogel with good spreading and consistency characteristics and satisfying aesthetic properties. The FTIR analysis indicated that the bioflavonoid was compatible with the matrix, and the hydrogels showed porous morphological structures when observed under SEM. Furthermore, the hydrogels possessed shear thinning, pseudoplastic, and elastic properties. Bioflavonoids-impregnated polysaccharide/gelatin hydrogel release 95-98% bioflavonoids within 24 h, while the drug release profile followed the Korsmeyer-Peppas kinetic model. The hydrogels showed antioxidant and wound healing properties with no sign of cytotoxicity.

    CONCLUSION: Overall, the results revealed bioflavonoid-loaded hydrogels exhibited good physicochemical and biological properties, thus could serve as new innovative formulation in the sustainable advancement of wound care product for promoting wound healing.

    MeSH terms: Animals; Antioxidants/pharmacology; Antioxidants/chemistry; Humans; Plant Extracts/pharmacology; Plant Extracts/chemistry; Sapotaceae/chemistry; Drug Liberation*
  5. Borikhonov B, Berdimurodov E, Kholikov T, Nik WBW, Katin KP, Demir M, et al.
    J Mol Model, 2024 Oct 02;30(11):359.
    PMID: 39356293 DOI: 10.1007/s00894-024-06157-y
    CONTEXT: This study addresses the development of sustainable pyridinium ionic liquids (ILs) because of their potential applications in agriculture and pharmaceuticals. Pyridinium-based ILs are known for their low melting points, high thermal stability, and moderate solvation properties. We synthesized three novel pyridinium-based ILs: 1-(2-(isopentyloxy)-2-oxoethyl)pyridin-1-ium chloride, 1-(2-(hexyloxy)-2-oxoethyl)pyridin-1-ium chloride, and 1-(2-(benzyloxy)-2-oxoethyl)pyridin-1-ium chloride. The biological activities of these compounds were evaluated through plant growth promotion, herbicidal, and insecticidal assays. Our results show that the benzyloxy derivative significantly enhances wheat and cucumber growth, whereas the isopentyloxy compound has potent herbicidal effects. Computational methods, including DFT calculations and molecular docking, were applied to understand the structure‒activity relationships (SARs) and mechanisms of action.

    METHODS: The computational techniques involved dispersion-corrected density functional theory (DFT) with the B3LYP functional and the 6-311G** basis set. Grimme's D3 corrections were included to account for dispersion interactions. The calculations were performed via GAMESS-US software. Quantum descriptors of reactivity, such as ionization potential, electron affinity, chemical potential, and electrophilicity index, were derived from the HOMO and LUMO energies. Molecular docking studies were conducted via the CB-Dock server via AutoDock Vina software to predict binding affinities to cancer-related proteins. Petra/Osiris/Molinspiration (POM) analysis was used to predict the drug likeness and other pharmaceutical properties of the synthesized ILs.

    MeSH terms: Herbicides/pharmacology; Herbicides/chemistry; Insecticides/pharmacology; Insecticides/chemistry; Structure-Activity Relationship; Triticum/drug effects; Triticum/growth & development; Molecular Structure; Cucumis sativus/drug effects; Cucumis sativus/growth & development; Molecular Docking Simulation*
  6. Rahman NAAA, Khasri A, Salleh NHM, Jamir MRM
    Environ Sci Pollut Res Int, 2024 Oct;31(49):59398-59415.
    PMID: 39354260 DOI: 10.1007/s11356-024-34948-6
    Excessive use of tetracycline (TC) is alarming owing to its increased detection in water systems. In this study, a photocatalyst was developed to degrade TC using a Ce-N-co-doped AC/TiO2 photocatalyst, denoted as Ce/N-AC/TiO2, prepared using the sol-gel method assisted by microwave radiation, speeding up the synthesis process. Ce/N-AC/TiO2 achieved maximum TC degradation of 93.1% under UV light with optimum sorption system conditions of an initial concentration of 10 mg L-1, pH 7, and 30 ℃, under 120 min. Scavenger experiments revealed that holes and superoxide radicals were the active species influencing the photodegradation process. The TC degradation was appropriately fitted with Langmuir isotherms and a pseudo-second-order (PSO) kinetic model. The change in enthalpy (ΔH) (2.43 kJ mol-1), entropy (ΔS) (0.024 kJ mol-1), and Gibbs free energy (ΔG) (- 4.941 to - 5.802 kJ mol-1) suggested that the adsorption process was spontaneous, favourable, and endothermic. Electrostatic interaction, hydrogen bonding, pore-filling, cationic-π, n-π, and π-π interaction were among the interactions involved between TC and Ce/N-AC/TiO2. Furthermore, Ce/N-AC/TiO2 stability was confirmed through 80% removal efficiency even after the fifth reuse cycle. Notably, this work provides new insight into the production of efficient, reusable, and enhanced photocatalysts using a rapid and cost-effective microwave-assisted synthesis process for pollutant remediation.
    MeSH terms: Adsorption; Catalysis; Kinetics; Photolysis*; Thermodynamics*; Water Pollutants, Chemical/chemistry
  7. Seng KBH, Tan PY, Lim CC, Loganathan R, Lim YA, Teng KT, et al.
    Nutr Res, 2024 Nov;131:14-26.
    PMID: 39357258 DOI: 10.1016/j.nutres.2024.07.003
    Vitamin A deficiency (VAD) remains a major health issue in developing nations, contributing to preventable childhood blindness. However, there is lack of recent data on xerophthalmia, especially among school-aged children in Malaysia. We hypothesized that xerophthalmia persists among rural schoolchildren in Malaysia and potentially associated with socio-demographic status and malnutrition. We conducted a cross-sectional study on 596 schoolchildren (8-12 years) from ten rural primary schools located in five states across Malaysia. Children meeting the criteria for xerophthalmia assessment included those diagnosed with vitamin A deficiency (VAD) (plasma retinol < 0.70 µmol/L) and marginal VAD (plasma retinol 0.70 to < 1.05 µmol/L). The overall prevalence of xerophthalmia was 48.8%, with the most common ocular sign being conjunctival xerosis (38.9%). The occurrence of xerophthalmia was negatively associated with retinol-binding protein 4 (RPB4) (P=0.003), alpha-carotene (P=0.04), hemoglobin (P=0.004), weight (P=0.02), body mass index (BMI) (P=0.04) and WAZ (weight-for-age z-score) (P=0.04) status. Based on multivariate logistic regression analysis, a higher risk of xerophthalmia was observed in boys (Adjusted odd ratio [AOR]: 1.7, 95% confidence interval [CI]: 1.2-2.5) and Orang Asli (OA, indigenous) schoolchildren (AOR: 2.0, 95% CI: 1.3-3.0), while schoolchildren with overweight/obesity status (AOR: 0.5, 95% CI: 0.3-0.8) were associated with a reduced risk of xerophthalmia. The present study unveils a high prevalence of xerophthalmia among vitamin A-deficient primary schoolchildren in rural areas of Malaysia, especially among the indigenous community. The identified socio-demographic and nutritional factors associated to xerophthalmia would facilitate the implementation of more targeted interventions in addressing these issues.
    MeSH terms: Child; Cross-Sectional Studies; Female; Humans; Malaysia/epidemiology; Male; Nutritional Status*; Schools; Socioeconomic Factors; Body Mass Index*; Prevalence; Malnutrition/epidemiology
  8. Chai AWY, Tan YH, Ooi S, Yee PS, Yee SM, Lightfoot H, et al.
    Cancer Res Commun, 2024 Nov 01;4(11):2919-2932.
    PMID: 39360810 DOI: 10.1158/2767-9764.CRC-24-0136
    Mechanistically guided drug repurposing has been made possible by systematically integrating pharmacologic and CRISPR-Cas9 screen data. Our study discovers the biomarker and cell death mechanisms underpinning sensitivity toward AZD5582, an antagonist of the inhibitor of apoptosis family protein. Our findings have important implications for improving future trial design for patients with OSCC using this emerging drug class.
    MeSH terms: Carcinoma, Squamous Cell/drug therapy; Carcinoma, Squamous Cell/genetics; Carcinoma, Squamous Cell/pathology; Humans; Mouth Neoplasms/drug therapy; Mouth Neoplasms/genetics; Mouth Neoplasms/metabolism; Mouth Neoplasms/pathology; Signal Transduction/drug effects; Cell Line, Tumor; Drug Repositioning/methods
  9. Alghamdi A, A Awadh Ali N, Alafnan A, Zainal Abidin SA, Alamri A, Hussein W, et al.
    Food Chem Toxicol, 2024 Nov;193:115028.
    PMID: 39368542 DOI: 10.1016/j.fct.2024.115028
    This study explores the phytochemical composition and biological activities of Verbascum yemenense, a plant known for its medicinal properties. The plant extract revealed a rich presence of bioactive compounds that exhibited significant antioxidant properties against free radicals. The enzyme inhibition potential was particularly notable against cholinesterases (AChE: 2.56 mg GALAE/g; BChE: 1.98 mg GALAE/g), and tyrosinase (87.94 mg KAE/g), α-glucosidase suggesting potential therapeutic applications in neurodegenerative diseases, skin disorders and diabetes. Molecular docking studies and Molecular Dynamics simulations, providing insights into the interaction mechanisms of the identified compounds with the target proteins. Molecular docking studies revealed high binding affinities of the phytoconstituents, with compounds like VY4 and phyllanthusol-A (VY15) showing substantial docking scores against AChE (-9.840 kcal/mol) and BChE (-9.853 kcal/mol), respectively. For instance, the RMSD values during the MD simulations for compound VY17 in the AML complex showed a stable conformation, fluctuating within a range of 0.75 Å to 1.75 Å, indicating a strong and consistent interaction with the enzyme. MESP studies highlighted VY17's distinctive electrostatic features, notably a pronounced electronegative region, which might contribute to its binding efficiency. These findings suggest that V. yemenense is a promising candidate for developing novel therapeutic agents.
    MeSH terms: Acetylcholinesterase/metabolism; Acetylcholinesterase/chemistry; Antioxidants/pharmacology; Antioxidants/chemistry; Butyrylcholinesterase/metabolism; Butyrylcholinesterase/chemistry; Cholinesterase Inhibitors/chemistry; Humans; Monophenol Monooxygenase/antagonists & inhibitors; Monophenol Monooxygenase/metabolism; Monophenol Monooxygenase/chemistry; Computational Biology; Molecular Dynamics Simulation*; Molecular Docking Simulation*; Phytochemicals/pharmacology; Phytochemicals/chemistry
  10. Zakaria ND, Salih IL, Hamzah HH, Sönmez T, Omar MH, Nor NM, et al.
    Analyst, 2024 Nov 04;149(22):5401-5410.
    PMID: 39373774 DOI: 10.1039/d4an00990h
    Sulfuric acid is commonly used to electrochemically activate gold electrodes in a variety of electrochemical applications. This work provides the first evaluations of the electrochemical behaviors and a 3D image of an activated screen-printed gold electrode (SPGE, purchased commercially) through electrochemical and imaging analyses. The activated SPGE surface appears rougher than the unactivated SPGE surface when viewed through microtopography images using scanning electron microscopy (SEM) and atomic force microscopy (AFM). Nevertheless, the roughened microscopy structure does not exhibit any substantial changes in roughness factor for the activated SPGE, as indicated by capacitive current analyses. The significant improvement in electrochemical responsiveness of the activated SPGE is mainly attributed to the presence of surface pores created in the microscopic structure as a result of gold oxide layer formation. The presence of surface pores on the activated surface has significantly improved its conductivity by 10-fold. As a result, electron transfer kinetics and mass transports of the activated SPGE are greatly improved. The results presented in this work indicate that the surface of the activated SPGE greatly increased its intrinsic surface pores, and conductivity of the electrode surface and uncovered the electrocatalytic active sites. This significantly improves the activated SPGE's performance in electrochemical applications such as oxygen reduction reaction (ORR). An activated SPGE considerably enhanced limiting current density as well as ∼172 mV versus Ag shifted onset potential to more positive potentials compared to unactivated SPGE.
  11. Memon MA, Osland E, Yunus RM, Hoque Z, Alam K, Khan S
    Surg Endosc, 2024 Nov;38(11):6254-6269.
    PMID: 39384655 DOI: 10.1007/s00464-024-11303-x
    BACKGROUND: To evaluate 5-year effect of laparoscopic vertical sleeve gastrectomy (LVSG) versus laparoscopic roux-en-Y gastric bypass (LRYGB) on gastroesophageal reflux disease (GERD) solely based on randomized controlled trials (RCTs).

    METHODS: A systematic review and meta-analysis of 5-year postoperative GERD data comparing LVSG and LRYGB in adults were undertaken. Electronic databases were searched from January 2015 to March 2024 for publications meeting inclusion criteria. The Hartung-Knapp-Sidik-Jonkman random effects model was applied to estimate pooled odds ratio where meta-analysis was possible. Bias and certainty of evidence were assessed using the Cochrane Risk of Bias Tool 2 and GRADE.

    RESULTS: Five RCTs were analysed (LVSG n = 554, LRYGB n = 539). LVSG was associated with increased adverse GERD outcomes compared to LRYGB at 5 years. The odds for revisional surgery to treat GERD in LVSG patients were 11 times higher compared to LRYGB (OR 11.47, 95% CI 1.83 to 71.69; p = 0.02; I2 = 0% High level of certainty). Similarly pharmacological management for increasing GERD was significantly more frequent in LVSG patients compared to LRYGB (OR 3.89, 95% CI 2.31 to 6.55; p ≤ 0.01; I2 = 0% Moderate level of certainty). Overall, LVSG was associated with significantly more interventions (both medical and surgical) for either worsening GERD and/or development of de novo GERD compared to LRYGB (OR 5.98, 95% CI 3.48 to 10.29; p ≤ 0.01; I2 = 0%) Moderate level of certainty).

    CONCLUSIONS: The development and worsening of GERD symptoms are frequently associated with LVSG compared to LRYGB at 5 years postoperatively requiring either initiation or increase of pharmacotherapy or failing that revisional bariatric surgery. Appropriate patient/surgical selection is crucial to reduce these postoperative risks of GERD.

    MeSH terms: Humans; Obesity, Morbid/surgery; Reoperation/statistics & numerical data; Randomized Controlled Trials as Topic; Treatment Outcome
  12. Liew KY, Chee HY, Abas F, Leong SW, Harith HH, Israf DA, et al.
    Daru, 2024 Dec;32(2):729-744.
    PMID: 39395148 DOI: 10.1007/s40199-024-00542-x
    BACKGROUND: Rhinovirus (RV) infection is a major cause of common colds and asthma exacerbations, with no antiviral drug available. Curcumin exhibits broad-spectrum antiviral activities, but its therapeutic effect is limited by a poor pharmacokinetics profile. Curcumin-like diarylpentanoid analogs, particularly 2-benzoyl-6-(3,4-dihydroxybenzylidene)cyclohexen-1-ol (BDHBC) and 5-(3,4-dihydroxyphenyl)-3-hydroxy-1-(2-hydroxyphenyl)penta-2,4-dien-1-one (DHHPD), have better solubility and stability compared to curcumin.

    OBJECTIVES: Therefore, this study aims to evaluate and compare the antiviral effects of curcumin, BDHBC, and DHHPD in an in vitro model of RV infection.

    METHODS: The inhibitory effects on RV-16 infection in H1 HeLa cells were assessed using cytopathic effect (CPE) reduction assay, virus yield reduction assay, RT-qPCR, and Western blot. Antiviral effects in different modes of treatment (pre-, co-, and post-treatment) were also compared. Additionally, intercellular adhesion molecule 1 (ICAM-1) expression, RV binding, and infectivity were measured with Western blot, flow cytometry, and virucidal assay, respectively.

    RESULTS: When used as a post-treatment, BDHBC (EC50: 4.19 µM; SI: 8.32) demonstrated stronger antiviral potential on RV-16 compared to DHHPD (EC50: 18.24 µM; SI: 1.82) and curcumin (less than 50% inhibition). BDHBC also showed the strongest inhibitory effect on RV-induced CPE, virus yield, vRNA, and viral proteins (P1, VP0, and VP2). Furthermore, BDHBC pre-treatment has a prophylactic effect against RV infection, which was attributed to reduced basal expression of ICAM-1. However, it did not affect virus binding, but exerted virucidal activity on RV-16, contributing to its antiviral effect during co-treatment.

    CONCLUSION: BDHBC exhibits multiple antiviral mechanisms against RV infection and thus could be a potential antiviral agent for RV.

    MeSH terms: HeLa Cells; Humans; Picornaviridae Infections/drug therapy; Virus Replication/drug effects; Intercellular Adhesion Molecule-1/genetics; Intercellular Adhesion Molecule-1/metabolism
  13. Norhapifah H, Isa MR, Abdullah B, Mohamed S
    Int J Community Based Nurs Midwifery, 2024 Oct;12(4):243-253.
    PMID: 39411571 DOI: 10.30476/ijcbnm.2024.101509.2432
    BACKGROUND: Labour pain experienced by women during childbirth can significantly affect the mother's psychological condition and birthing process. This study aimed to determine the effect of shiatsu massage on pain and anxiety during labour.

    METHOD: This randomized controlled trial was conducted on 80 nulliparous pregnant women who gave birth in four low-risk maternity clinics in Samarinda, Indonesia, from February to May 2022. The women were randomized into intervention (N=40) and control (N=40) groups based on random allocation. Certified midwives performed shiatsu massages following standard protocols. Pain was assessed using the Numeric Rating Scale, and anxiety was assessed using the Hamilton Anxiety Rating Score at three times including before the intervention (T0), the latent phase (T1), and at transition phase (T2). The impact of the intervention was analyzed using repeated measures analysis of variance by SPSS 26. A p-value less than 0.05 was considered statistically significant.

    RESULTS: The intervention group showed a significant reduction in labour pain scores from 6.85±1.00 (T0) to 6.13±0.88 (T1) and 4.78±0.83 (T2) (P<0.001), while the control group showed an increase from 6.85±1.00 (T0) to 8.05±0.64 (T1) and 8.85±0.48 (T2) (P<0.001). Anxiety scores in the intervention group decreased from 28.53±4.41 (T0) to 26.15±3.59 (T1) and 20.65±2.69 (T2) (P<0.001), whereas the control group experienced an increase from 25.55±3.16 (T0) to 27.05±3.36 (T1) and 31.73±3.27 (T2) (P<0.001). The between-subject effects in time levels for labour pain and anxiety in the two study groups had a significant impact (P<0.001).

    CONCLUSION: Findings showed that shiatsu massage was effective and safe for relieving pain and reducing anxiety during childbirth of nulliparous women. This research suggests that shiatsu massage can be used as an effective alternative method to relieve pain and anxiety during labour in low risk pregnancies, particularly in settings with limited access to pharmaceutical analgesics.Trial Registration Number: IRCT20220317054316N1.

    MeSH terms: Adult; Female; Humans; Indonesia; Labor, Obstetric/psychology; Massage/methods; Pain Measurement; Pregnancy; Acupressure/methods; Pain Management/methods
  14. Naciri W, Boom A, Watanabe TK, Garbe-Schönberg D, Hathorne E, Nagarajan R, et al.
    Sci Total Environ, 2024 Dec 10;955:176943.
    PMID: 39426536 DOI: 10.1016/j.scitotenv.2024.176943
    The El Niño Southern Oscillation (ENSO) is a worldwide climate phenomenon impacting temperatures and precipitation regimes across the globe. Previous studies have shown this climate phenomenon to influence Malaysian Borneo's hydroclimate. In the context of a changing climate and increasingly strong extreme ENSO events, understanding the influence of ENSO on this region, and its evolution through time, is essential to better constrain the future impacts it will have on the Maritime Continent's hydroclimate. Here, we used coupled δ18O and Sr/Ca records from massive corals' carbonate calcium skeletons to build a proxy for past hydroclimate: δ18Oseawater (δ18Osw) and compensate for the limited dependable instrumental data in most of the 20th century. We assessed our two 90 and 60-year-long δ18Osw records' quality as proxies for regional hydroclimate by correlating them with different instrumental salinity datasets before performing moving windowed correlations with the NINO3.4 index, an indicator of ENSO state. Results show that agreement between geochemical proxies and instrumental data highly depends on the chosen dataset, study site location, period, and monsoon season, with stronger agreement with more recent data, pointing towards insufficient data quality when going far back in time. More importantly, when correlated against the NINO3.4 index, our δ18Osw records showed a growing correlation for most of their respective lengths. From the 1980s, we found an increasing influence of ENSO on the local hydroclimate with correlation coefficients r > 0.8 during the wet monsoon season. Our findings highlight the differences in results depending on the chosen observational dataset, time scale, or period of the year, and stress the importance of such geochemical archives to better understand the impacts of ENSO across periods predating reliable instrumental data. More importantly, our findings show how the concurrent evolution of the IOD, and the PDV affect ENSO and ultimately, northwestern Borneo's hydroclimate through their teleconnections.
  15. Pazukhina E, Garcia-Gallo E, Reyes LF, Kildal AB, Jassat W, Dryden M, et al.
    BMJ Glob Health, 2024 Oct 21;9(10).
    PMID: 39433402 DOI: 10.1136/bmjgh-2024-015245
    INTRODUCTION: A proportion of people develop Long Covid after acute COVID-19, but with most studies concentrated in high-income countries (HICs), the global burden is largely unknown. Our study aims to characterise long-term COVID-19 sequelae in populations globally and compare the prevalence of reported symptoms in HICs and low-income and middle-income countries (LMICs).

    METHODS: A prospective, observational study in 17 countries in Africa, Asia, Europe and South America, including adults with confirmed COVID-19 assessed at 2 to <6 and 6 to <12 months post-hospital discharge. A standardised case report form developed by International Severe Acute Respiratory and emerging Infection Consortium's Global COVID-19 Follow-up working group evaluated the frequency of fever, persistent symptoms, breathlessness (MRC dyspnoea scale), fatigue and impact on daily activities.

    RESULTS: Of 11 860 participants (median age: 52 (IQR: 41-62) years; 52.1% females), 56.5% were from HICs and 43.5% were from LMICs. The proportion identified with Long Covid was significantly higher in HICs vs LMICs at both assessment time points (69.0% vs 45.3%, p<0.001; 69.7% vs 42.4%, p<0.001). Participants in HICs were more likely to report not feeling fully recovered (54.3% vs 18.0%, p<0.001; 56.8% vs 40.1%, p<0.001), fatigue (42.9% vs 27.9%, p<0.001; 41.6% vs 27.9%, p<0.001), new/persistent fever (19.6% vs 2.1%, p<0.001; 20.3% vs 2.0%, p<0.001) and have a higher prevalence of anxiety/depression and impact on usual activities compared with participants in LMICs at 2 to <6 and 6 to <12 months post-COVID-19 hospital discharge, respectively.

    CONCLUSION: Our data show that Long Covid affects populations globally, manifesting similar symptomatology and impact on functioning in both HIC and LMICs. The prevalence was higher in HICs versus LMICs. Although we identified a lower prevalence, the impact of Long Covid may be greater in LMICs if there is a lack of support systems available in HICs. Further research into the aetiology of Long Covid and the burden in LMICs is critical to implement effective, accessible treatment and support strategies to improve COVID-19 outcomes for all.

    MeSH terms: Adult; Africa/epidemiology; Asia/epidemiology; Developing Countries*; Europe/epidemiology; Female; Humans; Male; Middle Aged; Prospective Studies; South America/epidemiology; Global Health*; Cohort Studies; Prevalence; Developed Countries
  16. He L, Li Y, Min Y, Yoong J, Chen S, Jiao J, et al.
    Sci Total Environ, 2024 Dec 10;955:177048.
    PMID: 39447901 DOI: 10.1016/j.scitotenv.2024.177048
    Biodiesel application, such as using waste cooking oil biodiesel in Shanghai, China, is a sustainable solution that addresses the challenges posed by escalating air pollution, energy security, and climate change. Future efforts may involve blending biodiesel from alternative sources like crude palm oil with diesel in China. This study tested a China V heavy-duty diesel vehicle equipped with a selective catalytic reduction (SCR) system using various palm oil biodiesel blended fuels (i.e., B0, B5, B10, and B20). The findings indicated that using biodiesel blends led to reductions in carbon monoxide (CO), hydrocarbon (HC), and particle number (PN) emissions compared to B0, while nitrogen oxide (NOX) emissions remained similar. Higher biodiesel content significantly reduced petroleum diesel consumption, but no statistically significant differences were found in total carbon dioxide (CO2) emissions and fuel consumption. Various factors such as vehicle speed, payload, and cold starts influence tailpipe emissions and fuel consumption. Specifically, high-speed phases notably reduced CO, HC, and PN emissions with the use of biodiesel blends. Lower payloads were linked to decreased CO2 emissions and fuel consumption but increased NOX emissions. Cold starts increased HC and NOX emissions, especially with higher biodiesel blending ratios. These results can provide valuable empirical insights into palm oil biodiesel emissions.
  17. Ouyang D, Dan A, Lin Z, Cai Z
    Sci Total Environ, 2024 Dec 10;955:177155.
    PMID: 39447910 DOI: 10.1016/j.scitotenv.2024.177155
    Triphenyl phosphate (TPP), a wide-used organophosphate flame retardants (OPFRs), is suspected to be a risk factor for the female-specific cancers, but underlying toxicity mechanisms of environmentally relevant dose exposure remain unclear. Herein, a strategy of spherical covalent organic framework (TPB-BPTP-COF)-assisted laser desorption ionization mass spectrometry (LDI-MS), which benefited from fast analysis speed, facile sample preprocessing, and high throughput, was proposed for unveiling the biomarkers of breast cancer (BC) and the relationship between TPP exposure and progression of BC in mice by serum metabolism analysis. The results displayed that 13 metabolites associated with BC development were up-regulated in experimental group versus healthy control mice. Moreover, long-term exposure to environmentally relevant doses of TPP was found to promote BC, mainly by affecting glycolysis/gluconeogenesis, pyrimidine metabolism, pantothenic acid and CoA biosynthesis, and β-alanine metabolism. This work proved the potential application of COFs as LDI-MS substrates in analyzing complex biological samples, and also revealed the risk of long-term low-dose exposure to TPP in the development of BC.
    MeSH terms: Animals; Breast Neoplasms*; Female; Organophosphates; Tritolyl Phosphates/toxicity; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization/methods; Mice
  18. Azizman MSA, Hanif MA, Ibrahim N, Azhari AW, Wan Ramli WK, Abdul Jalil A, et al.
    Phys Chem Chem Phys, 2024 Nov 13;26(44):27988-28001.
    PMID: 39485080 DOI: 10.1039/d4cp03248a
    Sulphur dioxide, a toxic gas pollutant, is mainly generated by the combustion of fossil fuels and the smelting of sulphur-bearing mineral ores. Removal of SO2 gas or desulphurisation can be accomplished in industries using a variety of processes; the most efficient is wet flue gas desulphurisation (FGD). However, wet FGD has challenges, such as the requirement for wastewater treatment, excessive water usage, and the necessity for chloride protective coating. Despite having a lesser adsorption capacity than wet FGD, dry FGD can efficiently remove SO2 from the effluent gas stream and avoid the issues associated with wet FGD, provided that the sorbents are modified and regenerable. An alternative dry desulphurisation strategy by using fibrous mesoporous silica (KCC-1) modified with deep eutectic solvents (DES), choline chloride-glycerol (DES1) and choline chloride-ethylene glycol (DES2) is studied in this paper. KCC-1 modified with DES1 is found to increase SO2 adsorption capacity to 4.83 mg g-1, which is 1.73 times greater than unmodified KCC-1 and twice higher than KCC-1 modified with DES2 attributed to the sorbent's high porosity. Increasing reaction temperature and SO2 concentration reduce the adsorption capacity to 1.73 mg g-1 and 2.73 mg g-1, respectively. The Avrami kinetic model and the Toth isotherm model best reflect SO2 adsorption on the modified KCC-1, indicating that SO2 molecules are adsorbed exothermically in multilayer adsorption on a heterogeneous surface through a combination of physical and chemical processes. The higher SO2 adsorption capacity of the modified KCC-1 suggests that choline chloride-glycerol can provide additional sites for SO2 adsorption in dry FGD technology.
  19. Yau MQ, Liew CWY, Toh JH, Loo JSE
    J Mol Model, 2024 Oct 31;30(11):390.
    PMID: 39480515 DOI: 10.1007/s00894-024-06189-4
    CONTEXT: The substantial increase in the number of active and inactive-state CB1 receptor experimental structures has provided opportunities for CB1 drug discovery using various structure-based drug design methods, including the popular end-point methods for predicting binding free energies-Molecular Mechanics/Poisson-Boltzmann Surface Area (MM/PBSA) and Molecular Mechanics/Generalized Born Surface Area (MM/GBSA). In this study, we have therefore evaluated the performance of MM/PBSA and MM/GBSA in calculating binding free energies for CB1 receptor. Additionally, with both MM/PBSA and MM/GBSA being known for their highly individualized performance, we have evaluated the effects of various simulation parameters including the use of energy minimized structures, choice of solute dielectric constant, inclusion of entropy, and the effects of the five GB models. Generally, MM/GBSA provided higher correlations than MM/PBSA (rMM/GBSA = 0.433 - 0.652 vs. rMM/PBSA = 0.100 - 0.486) regardless of the simulation parameters, while also offering faster calculations. Improved correlations were observed with the use of molecular dynamics ensembles compared with energy minimized structures and larger solute dielectric constants. Incorporation of entropic terms led to unfavorable results for both MM/PBSA and MM/GBSA for a majority of the dataset, while the evaluation of the various GB models exerted a varying effect on both the datasets. The findings obtained in this study demonstrate the utility of MM/PBSA and MM/GBSA in predicting binding free energies for the CB1 receptor, hence providing a useful benchmark for their applicability in the endocannabinoid system as well as other G protein-coupled receptors.

    METHODS: The study utilized the docked dataset (Induced Fit Docking with Glide XP scoring function) from Loo et al., consisting of 46 ligands-23 agonists and 23 antagonists. The equilibrated structures from Loo et al. were subjected to 30 ns production simulations using GROMACS 2018 at 300 K and 1 atm with the velocity rescaling thermostat and the Parinello-Rahman barostat. AMBER ff99SB*-ILDN was used for the proteins, General Amber Force Field (GAFF) was used for the ligands, and Slipids parameters were used for lipids. MM/PBSA and MM/GBSA binding free energies were then calculated using gmx_MMPBSA. The solute dielectric constant was varied between 1, 2, and 4 to study the effect of different solute dielectric constants on the performance of MM/PB(GB)SA. The effect of entropy on MM/PB(GB)SA binding free energies was evaluated using the interaction entropy module implemented in gmx_MMPBSA. Five GB models, GBHCT, GBOBC1, GBOBC2, GBNeck, and GBNeck2, were evaluated to study the effect of the choice of GB models in the performance of MM/GBSA. Pearson correlation coefficients were used to measure the correlation between experimental and predicted binding free energies.

    MeSH terms: Binding Sites; Cannabinoids/metabolism; Cannabinoids/pharmacology; Cannabinoids/chemistry; Humans; Ligands; Protein Binding*; Thermodynamics*; Entropy; Molecular Dynamics Simulation*; Molecular Docking Simulation
  20. Azman IK, Chan YF, Chua CL, Abd Mutalib ZA, Dass SC, Gill BS, et al.
    PLoS Negl Trop Dis, 2024 Oct;18(10):e0012632.
    PMID: 39480893 DOI: 10.1371/journal.pntd.0012632
    BACKGROUND: In 2008-2010, Malaysia experienced a nationwide chikungunya virus (CHIKV) outbreak caused by the Indian Ocean lineage E1-226V (valine) variant, adapted to Aedes albopictus. In 2017-2022, transition to an E1-226A (alanine) variant occurred. Ae. albopictus prevails in rural areas, where most cases occurred during the E1-226V outbreak, while Ae. aegypti dominates urban areas. The shift in circulating CHIKV variants from E1-226V to E1-226A (2009-2022) was hypothesized to result in a transition from rural to urban CHIKV distribution, driven by differences in Ae. aegypti vector competence for the two variants. This study aimed to: (1) map the spatiotemporal spread of CHIKV cases in Malaysia between 2009-2022; and (2) compare replication of E1-226A and E1-226V variants in the midguts and head/thoraxes of Ae. aegypti.

    METHODOLOGY/PRINCIPAL FINDINGS: Spatiotemporal analysis of national notified CHIKV case addresses was performed. Between 2009-2022, 12,446 CHIKV cases were reported, with peaks in 2009 and 2020, and a significant shift from predominantly rural cases in 2009-2011 (85.1% rural), to urban areas in 2017-2022 (86.1% urban; p<0.0001). Two Ae. aegypti strains, field-collected MC1 and laboratory Kuala Lumpur (KL) strains, were fed infectious blood containing constructed CHIKV clones, pCMV-p2020A (E1-226A) and pCMV-p2020V (E1-226V) to measure CHIKV replication by real-time PCR and/or virus titration. The pCMV-p2020A clone replicated better in Ae. aegypti cell line Aag2 and showed higher replication, infection and dissemination efficiency in both Ae. aegypti strains, compared to pCMV-p2020V.

    CONCLUSIONS/SIGNIFICANCE: This study revealed that a change in circulating CHIKV variants can be associated with changes in vector competence and outbreak epidemiology. Continued genomic surveillance of arboviruses is important.

    MeSH terms: Animals; Disease Outbreaks; Female; Humans; Malaysia/epidemiology; Spatio-Temporal Analysis*
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