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  1. Fulltext Evaluation of pharmaceutically compounded oral caffeine on the impact of medication adherence and risk of readmission among preterm neonates: A single-center quasi-experimental study
    Ambreen G, Kumar M, Ali A, Shah SAA, Saleem SM, Tahir A, et al.
    PLoS One, 2022;17(11):e0275655.
    PMID: 36350877 DOI: 10.1371/journal.pone.0275655
    BACKGROUND: Caffeine is available in an ampoule, used via parenteral and enteral routes in preterm neonates to treat apnea of prematurity (AOP) in neonates of gestational age ≥ 35-40 weeks. A longer duration of therapy has a higher risk of medication non-adherence due to higher costs and inappropriate dosage forms. Pharmaceutically compounded oral caffeine (PCC) could be an appropriate alternate dosage form. The researchers aimed to determine the impact of PCC on medication-related factors influencing medication adherence (MA) and the frequency of hospital readmission with apnea (HRA) in preterm neonates.

    METHODS: We conducted a single-center quasi-experimental study for this quality improvement project using PCC among the preterm neonates admitted in a tertiary care level-III NICU at the Aga Khan University Hospital Karachi, Pakistan, received caffeine therapy, and survived at discharge. The researchers compared pre-PCC data (April-December 2017) with post-PCC data (April-Dec 2018) each for nine months, with three months intervals (January-March 2018) of PCC formulation and implementation phase. The study was conducted according to the SQUIRE2.0 guidelines. The Data were collated on factors influencing MA, including the cost of therapy, medication refill rates, and parental complaints as primary outcome measures. The Risk factors of HRA were included as secondary outcomes.

    RESULTS: After PCC implementation cost of therapy was reduced significantly from Rs. 97000.0 (729.0 USD) to Rs. 24500.0 (185.0 USD) (p<0.001), significantly higher (p<0.001) number of patients completed remaining refills (77.6% pre-phase vs 97.5% post-phase). The number of parental complaints about cost, ampoule usage, medication drawing issue, wastage, inappropriate dosage form, and longer duration of therapy reduced significantly in post-phase. HRA reduced from 25% to 6.6% (p<0.001). Post-implementation of PCC (RR 0.14; 95% CI: 0.07-0.27) was a significant independent risk factor for reducing HRA using a multivariate analysis model. Longer duration of caffeine therapy after discharge (RR 1.05; 95% CI: 1.04-1.04), those who were born in multiple births (RR 1.15; 95% CI: 1.15-1.15), and those who had higher number of siblings were other significant independent risk factors for HRA.

    CONCLUSIONS: PCC dispensation in the appropriate dosage form at discharge effectively reduced cost, non-adherence to therapy, and risk of hospital readmissions. This neonatal clinical and compounding pharmacist-led model can be replicated in other resource-limiting setting.

  2. Fulltext Pharmacotherapeutic Potential of Natural Products to Target the SARS-CoV-2 PLpro Using Molecular Screening and Simulation Approaches
    Sayaf AM, Ahmad H, Aslam MA, Ghani SA, Bano S, Yousafi Q, et al.
    Appl Biochem Biotechnol, 2023 Nov;195(11):6959-6978.
    PMID: 36961512 DOI: 10.1007/s12010-023-04466-1
    Because of the essential role of PLpro in the regulation of replication and dysregulation of the host immune sensing, it is considered a therapeutic target for novel drug development. To reduce the risk of immune evasion and vaccine effectiveness, small molecular therapeutics are the best complementary approach. Hence, we used a structure-based drug-designing approach to identify potential small molecular inhibitors for PLpro of SARS-CoV-2. Initial scoring and re-scoring of the best hits revealed that three compounds NPC320891 (2,2-Dihydroxyindene-1,3-Dione), NPC474594 (Isonarciclasine), and NPC474595 (7-Deoxyisonarciclasine) exhibit higher docking scores than the control GRL0617. Investigation of the binding modes revealed that alongside the essential contacts, i.e., Asp164, Glu167, Tyr264, and Gln269, these molecules also target Lys157 and Tyr268 residues in the active site. Moreover, molecular simulation demonstrated that the reported top hits also possess stable dynamics and structural packing. Furthermore, the residues' flexibility revealed that all the complexes demonstrated higher flexibility in the regions 120-140, 160-180, and 205-215. The 120-140 and 160-180 lie in the finger region of PLpro, which may open/close during the simulation to cover the active site and push the ligand inside. In addition, the total binding free energy was reported to be - 32.65 ± 0.17 kcal/mol for the GRL0617-PLpro, for the NPC320891-PLpro complex, the TBE was - 35.58 ± 0.14 kcal/mol, for the NPC474594-PLpro, the TBE was - 43.72 ± 0.22 kcal/mol, while for NPC474595-PLpro complex, the TBE was calculated to be - 41.61 ± 0.20 kcal/mol, respectively. Clustering of the protein's motion and FEL further revealed that in NPC474594 and NPC474595 complexes, the drug was seen to have moved inside the binding cavity along with the loop in the palm region harboring the catalytic triad, thus justifying the higher binding of these two molecules particularly. In conclusion, the overall results reflect favorable binding of the identified hits strongly than the control drug, thus demanding in vitro and in vivo validation for clinical purposes.
  3. Fulltext Method development for simultaneous estimation of Amlodipine Besylate and Perindopril Tertbutyl amine in fixed-dose
    Khan MFS, Tahir L, Zhou X, Bary G, Sajid M, Shahzad AK, et al.
    Heliyon, 2023 Mar;9(3):e14209.
    PMID: 36923897 DOI: 10.1016/j.heliyon.2023.e14209
    The fixed-dose combination of Amlodipine Besylate (ADB) with Perindopril Tertbutylamine (PTBA) drug is used to treat patients with mild-to-moderate hypertension. In recent times researchers are interested to find the efficient analytical method development and validation for the simultaneous determination of ADB and PTBA in a fixed-dose, film-coated tablet. Therefore, the current study was performed with a reverse-phase liquid chromatography method developed to simultaneously analyze ADB and PTBA in film-coated tablets as fixed-dose combinations. The linearity of the proposed method was calculated by preparing six different mixtures of both ADB and PTBA in the mobile phase. The concentration of both the analytes was analyzed at 56mg/100 mL to 84mg/100 mL and 32mg/100 mL to 48mg/100 mL, respectively. The ratio of acetonitrile and phosphate buffer was 35:65. The flow rate was adjusted to 1.5 ml per minute to reduce the retention time. The validation study was performed for the parameters specificity, linearity, precision, range, limit of detection, limit of quantification, accuracy/biasness, and robustness. The relative percentage standard deviation for Perindopril Tertbutyl amine was 0.148%, and for Amlodipine is 0.312%. These results show that the advanced analysis method for simultaneous analysis of fixed-dose is precise. The theoretical IR spectra were also calculated by Gaussian 9.2 by employing the B3LYP functional at density functional theory (DFT) level study. All these parameters studied in this work authenticate the effectiveness of the developed validation method and ensure its repeatability/reproducibility accordingly. To the best of our knowledge, this is the first time to develop a new fast, and easy method for simultaneous identification and quantification of ADB and PTBA by high-performance liquid chromatography (HPLC) with a time-efficient and cost-effective approach.
  4. Exploring chromone sulfonamides and sulfonylhydrazones as highly selective ectonucleotidase inhibitors: Synthesis, biological evaluation and in silico study
    Younus HA, Saeed M, Mahmood A, Jadoon MSK, Hameed A, Asari A, et al.
    Bioorg Chem, 2023 May;134:106450.
    PMID: 36924652 DOI: 10.1016/j.bioorg.2023.106450
    Ectonucleotidases, a well-known superfamily of plasma membrane located metalloenzymes plays a central role in mediating the process of purinergic cell signaling. Major functions performed by these enzymes include the hydrolysis of extracellular nucleosides and nucleotides which are considered as important cell-signaling molecules. Any (patho)-physiologically induced disruption in this purinergic cell signaling leads to several disorders, hence these enzymes are important drug targets for therapeutic purposes. Among the major challenges faced in the design of inhibitors of ectonucleotidases, an important one is the lack of selective inhibitors. Access to highly selective inhibitors via a facile synthetic route will not only be beneficial therapeutically, but will also lead to an increase in our understanding of intricate interplay between members of ectonucleotidase enzymes in relation to their selective activation and/or inhibition in different cells and tissues. Herein we describe synthesis of highly selective inhibitors of human intestinal alkaline phosphatase (h-IAP) and human tissue non-specific alkaline phosphatase (h-TNAP), containing chromone sulfonamide and sulfonylhydrazone scaffolds. Compound 1c exhibited highest (and most selective) h-IAP inhibition activity (h-IAP IC50 = 0.51 ± 0.20 µM; h-TNAP = 36.5%) and compound 3k showed highest activity and selective inhibition against h-TNAP (h-TNAP IC50 = 1.41 ± 0.10 µM; h-IAP = 43.1%). These compounds were also evaluated against another member of ectonucleotidase family, that is rat and human ecto-5'-nucleotidase (r-e5'NT and h-e5'NT). Some of the compounds exhibited excellent inhibitory activity against ecto-5'-nucleotidase. Compound 2 g exhibited highest inhibition against h-e5'NT (IC50 = 0.18 ± 0.02 µM). To rationalize the interactions with the binding site, molecular docking studies were carried out.
  5. Fulltext The Antioxidant Activity and Induction of Apoptotic Cell Death by Musa paradisiaca and Trigona sp. Honey Jelly in ORL115 and ORL188 Cells
    Anuar MNN, Ibrahim M, Zakaria NH, Ichwan SJA, Md Isa ML, Mat Alewi NA, et al.
    Malays J Med Sci, 2023 Feb;30(1):82-91.
    PMID: 36875196 DOI: 10.21315/mjms2023.30.1.7
    BACKGROUND: Head and neck cancer patients usually need nutritional support due to difficulties in swallowing and chewing. Therefore, this study aimed to formulate Musa paradisiaca and Trigona sp. honey jelly (MTJ) as a convenient functional food.

    METHODS: The antioxidant properties were analysed using 2,2'-diphenyl-1 picrylhydrazyl (DPPH), ferric reducing antioxidant potential (FRAP) and 2,2'-azinodi 3-ethylbenthiazolinesulfonate (ABTS) assays. Cytotoxicity was assayed using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) test and the induction of apoptosis was observed via caspase-3/7 activity assay. The identification of phenolic compounds was done via ultra-high-performance-liquid chromatography coupled to mass spectrometer (UHPLC-MS/MS).

    RESULTS: The antioxidant analysis exhibited: the half inhibitory concentration (IC50) of DPPH inhibition, 54.10 (SD = 4.51) μg/mL; the FRAP value, 30.07 (SD = 0.93) mM TEQ/100 g; and the ABTS value, 131.79 (SD = 8.73) mg TEQ/100 g. Cinnamic acid was the most abundant phenolic compound, followed by maleic acid and salicylic acid. The IC50 for ORL115 and ORL188 were 35.51 mg/mL and 43.54 mg/mL, respectively. The cells became rounded and dissymmetrical which reduced in number and size. The apoptotic cell death in ORL115 and ORL188 was deduced as caspase-3/7 activities that significantly increased (P < 0.05).

    CONCLUSION: The study evidenced that the antioxidant activity of MTJ could influence the induction of apoptosis in ORL115 and ORL188 in future investigations and verifications.

  6. Fulltext Process design, simulation, and techno-economic analysis of integrated production of furfural and glucose derived from palm oil empty fruit bunches
    Mohammed MZR, Ng ZW, Putranto A, Kong ZY, Sunarso J, Aziz M, et al.
    Clean Technol Environ Policy, 2023 Jan 07.
    PMID: 36643617 DOI: 10.1007/s10098-022-02454-3
    This study aims to propose a new process design, simulation, and techno-economic analysis of an integrated process plant that produces glucose and furfural from palm oil empty fruit bunches (EFB). In this work, an Aspen Plus-based simulation has been established to develop a process flow diagram of co-production of glucose and furfural along with the mass and energy balances. The plant's economics are analyzed by calculating the fixed capital income (FCI), operating costs, and working capital. In contrast, profitability is determined using cumulative cash flow (CCF), net present value (NPV), and internal rate of return (IRR). The findings show that the production capacity of 10 kilotons per year (ktpy) of glucose and 4.96 ktpy of furfural with a purity of 98.21 and 99.54%-weight, respectively, was achieved in this study. The FCI is calculated as United States Dollar (USD) 20.80 million, while the working and operating expenses are calculated as USD 3.74 million and USD 16.93 million, respectively. This project achieves USD 7.65 million NPV with a positive IRR of 14.25% and a return on investment (ROI) of 22.06%. The present work successfully develops a profitable integrated process plant that is established with future upscaling parameters and key cost drivers. The findings provided in this work offer a platform and motivation for future research on integrated plants in the food, environment, and energy nexus with the co-location principle.
  7. Fulltext Surface Acoustic Wave (SAW) Sensors for Hip Implant: A Numerical and Computational Feasibility Investigation Using Finite Element Methods
    Hafizh M, Soliman MM, Qiblawey Y, Chowdhury MEH, Islam MT, Musharavati F, et al.
    Biosensors (Basel), 2023 Jan 02;13(1).
    PMID: 36671914 DOI: 10.3390/bios13010079
    In this paper, a surface acoustic wave (SAW) sensor for hip implant geometry was proposed for the application of total hip replacement. A two-port SAW device was numerically investigated for implementation with an operating frequency of 872 MHz that can be used in more common radio frequency interrogator units. A finite element analysis of the device was developed for a lithium niobate (LiNBO3) substrate with a Rayleigh velocity of 3488 m/s on COMSOL Multiphysics. The Multiphysics loading and frequency results highlighted a good uniformity with numerical results. Afterwards, a hip implant geometry was developed. The SAW sensor was mounted at two locations on the implant corresponding to two regions along the shaft of the femur bone. Three discrete conditions were studied for the feasibility of the implant with upper- and lower-body loading. The loading simulations highlighted that the stresses experienced do not exceed the yield strengths. The voltage output results indicated that the SAW sensor can be implanted in the hip implant for hip implant-loosening detection applications.
  8. Synthesis, Kinetics and Computational Explorations of 4-Phenylpiperazine Bearing N-(Aryl)-3-substituted-benzamides as Auspicious Tyrosinase Inhibitors
    Zeb A, Abbasi MA, Aziz-Ur-Rehman, Siddiqui SZ, Hassan M, Javed Q, et al.
    Chem Biodivers, 2024 Apr;21(4):e202400133.
    PMID: 38363553 DOI: 10.1002/cbdv.202400133
    In the aimed research study, a new series of N-(aryl)-3-[(4-phenyl-1-piperazinyl)methyl]benzamides was synthesized, which was envisaged as tyrosinase inhibitor. The structures of these newly designed molecules were verified by IR, 1H-NMR, 13C-NMR, EI-MS and CHN analysis data. These molecules were screened against tyrosinase and their inhibitory activity explored that these 3-substituted-benzamides exhibit good to excellent potential, comparative to the standard. The Kinetics mechanism was investigated through Lineweaver-Burk plots which depicted that molecules inhibited this enzyme in a competitive mode. Moreover, molecular docking was also performed to determine the binding interaction of all synthesized molecules (ligands) with the active site of tyrosinase enzyme and the results showed that most of the ligands exhibited efficient binding energy values. Therefore, it is anticipated that these molecules might serve as auspicious therapeutic scaffolds for treatment of the tyrosinase associated skin disorders.
  9. Knowledge and attitude towards home quarantine instructions and associations with history of Covid-19 infection in Malaysia
    Choo SJ, Chang CT, Chan HK, Abu Hassan MR, Hamdan MH, Cheong AT, et al.
    BMC Public Health, 2024 May 14;24(1):1311.
    PMID: 38745185 DOI: 10.1186/s12889-024-18739-9
    INTRODUCTION: Although COVID-19 has entered the endemic phase, individuals infected with COVID-19 are required to adhere to home quarantine measures. By exploring the public's knowledge and attitude towards recommended home quarantine measures, their readiness in containing potential COVID-19 outbreak can be determined. This study aimed to assess the public knowledge and attitude towards home quarantine instructions and their association with history of COVID-19 infections.

    METHODS: This was a web-based cross-sectional study conducted among the public in Malaysia between August to October 2022. All Malaysian adults over 18 years of age were included. Knowledge on home quarantine instructions and COVID-19 warning signs were measured using "True," "False," or "I'm not sure", while attitude towards home quarantine instructions was measured using a five-point Likert Scale. The questionnaire was initially constructed in English and then translated into the national language, Bahasa Malaysia. Face and content validation were performed. The internal consistency of the questionnaire was found to be satisfactory.

    RESULTS: 1,036 respondents were analyzed, comprised mostly of females (743, 71.6%) with a history of COVID-19 (673, 64.9%). In the knowledge domain, more than 80% of the respondents answered 9 out of 11 home quarantine instructions statements correctly. 457 (44.1%) were unaware or unsure about the minimum distance of the infected individual's bed from the rest of the occupants in a shared bedroom. The respondents reported relatively weaker knowledge in identifying uncommon warning signs of COVID-19 deterioration, including anuria (162, 44.5%), ingestion problems (191, 52.5%), and immobility (195, 53.6%). In the attitude domain, more than 90% of respondents answered correctly in 8 out of 9 questions. Respondents with a previous history of COVID-19 infections had better knowledge than COVID-19 infection-naïve individuals towards both home quarantine instructions and COVID-19 warning signs.

    CONCLUSION: Most respondents had good knowledge and attitude towards home quarantine instructions, with those previously infected with COVID-19 showing greater awareness of uncommon warning signs. However, there was a notable lack of awareness regarding physical distancing within shared rooms, appropriate disinfectant use and mobility limitation within the household. This study highlights the knowledge gaps to be improved in future educational campaigns.

  10. Optimizing lung cancer classification through hyperparameter tuning
    Nabeel SM, Bazai SU, Alasbali N, Liu Y, Ghafoor MI, Khan R, et al.
    Digit Health, 2024;10:20552076241249661.
    PMID: 38698834 DOI: 10.1177/20552076241249661
    Artificial intelligence is steadily permeating various sectors, including healthcare. This research specifically addresses lung cancer, the world's deadliest disease with the highest mortality rate. Two primary factors contribute to its onset: genetic predisposition and environmental factors, such as smoking and exposure to pollutants. Recognizing the need for more effective diagnosis techniques, our study embarked on devising a machine learning strategy tailored to boost precision in lung cancer detection. Our aim was to devise a diagnostic method that is both less invasive and cost-effective. To this end, we proposed four methods, benchmarking them against prevalent techniques using a universally recognized dataset from Kaggle. Among our methods, one emerged as particularly promising, outperforming the competition in accuracy, precision and sensitivity. This method utilized hyperparameter tuning, focusing on the Gamma and C parameters, which were set at a value of 10. These parameters influence kernel width and regularization strength, respectively. As a result, we achieved an accuracy of 99.16%, a precision of 98% and a sensitivity rate of 100%. In conclusion, our enhanced prediction mechanism has proven to surpass traditional and contemporary strategies in lung cancer detection.
  11. Fulltext Emotion brain network topology in healthy subjects following passive listening to different auditory stimuli
    Mohd Rashid MH, Ab Rani NS, Kannan M, Abdullah MW, Ab Ghani MA, Kamel N, et al.
    PeerJ, 2024;12:e17721.
    PMID: 39040935 DOI: 10.7717/peerj.17721
    A large body of research establishes the efficacy of musical intervention in many aspects of physical, cognitive, communication, social, and emotional rehabilitation. However, the underlying neural mechanisms for musical therapy remain elusive. This study aimed to investigate the potential neural correlates of musical therapy, focusing on the changes in the topology of emotion brain network. To this end, a Bayesian statistical approach and a cross-over experimental design were employed together with two resting-state magnetoencephalography (MEG) as controls. MEG recordings of 30 healthy subjects were acquired while listening to five auditory stimuli in random order. Two resting-state MEG recordings of each subject were obtained, one prior to the first stimulus (pre) and one after the final stimulus (post). Time series at the level of brain regions were estimated using depth-weighted minimum norm estimation (wMNE) source reconstruction method and the functional connectivity between these regions were computed. The resultant connectivity matrices were used to derive two topological network measures: transitivity and global efficiency which are important in gauging the functional segregation and integration of brain network respectively. The differences in these measures between pre- and post-stimuli resting MEG were set as the equivalence regions. We found that the network measures under all auditory stimuli were equivalent to the resting state network measures in all frequency bands, indicating that the topology of the functional brain network associated with emotional regulation in healthy subjects remains unchanged following these auditory stimuli. This suggests that changes in the emotion network topology may not be the underlying neural mechanism of musical therapy. Nonetheless, further studies are required to explore the neural mechanisms of musical interventions especially in the populations with neuropsychiatric disorders.
  12. Self-assembled micelles loaded with itraconazole as anti-Acanthamoeba nano-formulation
    Rao K, Abdullah M, Ahmed U, Wehelie HI, Shah MR, Siddiqui R, et al.
    Arch Microbiol, 2024 Mar 04;206(4):134.
    PMID: 38433145 DOI: 10.1007/s00203-024-03854-3
    Acanthamoeba castellanii are opportunistic pathogens known to cause infection of the central nervous system termed: granulomatous amoebic encephalitis, that mostly effects immunocompromised individuals, and a sight threatening keratitis, known as Acanthamoeba keratitis, which mostly affects contact lens wearers. The current treatment available is problematic, and is toxic. Herein, an amphiphilic star polymer with AB2 miktoarms [A = hydrophobic poly(ℇ-Caprolacton) and B = hydrophilic poly (ethylene glycol)] was synthesized by ring opening polymerization and CuI catalyzed azide-alkyne cycloaddition. Characterization by 1H and 13C NMR spectroscopy, size-exclusion chromatography and fluorescence spectroscopy was accomplished. The hydrophobic drug itraconazole (ITZ) was incorporated in self-assembled micellar structure of AB2 miktoarms through co-solvent evaporation. The properties of ITZ loaded (ITZ-PCL-PEG2) and blank micelles (PCL-PEG2) were investigated through zeta sizer, scanning electron microscopy and Fourier-transform infrared spectroscopy. Itraconazole alone (ITZ), polymer (DPB-PCL), empty polymeric micelles (PCL-PEG2) alone, and itraconazole loaded in polymeric micelles (ITZ-PCL-PEG2) were tested for anti-amoebic potential against Acanthamoeba, and the cytotoxicity on human cells were determined. The polymer was able to self-assemble in aqueous conditions and exhibited low value for critical micelle concentration (CMC) 0.05-0.06 µg/mL. The maximum entrapment efficiency of ITZ was 68%. Of note, ITZ, DPB, PCL-PEG2 and ITZ-PCL-PEG2 inhibited amoebae trophozoites by 37.34%, 36.30%, 35.77%, and 68.24%, respectively, as compared to controls. Moreover, ITZ-PCL-PEG2 revealed limited cytotoxicity against human keratinocyte cells. These results are indicative that ITZ-PCL-PEG2 micelle show significantly better anti-amoebic effects as compared to ITZ alone and thus should be investigated further in vivo to determine its clinical potential.
  13. Correction to: Domperidone nanocrystals with boosted oral bioavailability: fabrication, evaluation and molecular insight into the polymer-domperidone nanocrystal interaction
    Ndlovu ST, Ullah N, Khan S, Ramharack P, Soliman M, de Matas M, et al.
    Drug Deliv Transl Res, 2024 Feb 28.
    PMID: 38416387 DOI: 10.1007/s13346-024-01554-5
  14. Mitigation of bio-corrosion characteristics of coronary artery stent by optimising fs-laser micromachining parameters
    Chenrayan V, Palanisamy D, Mani K, Shahapurkar K, Elahi M Soudagar M, Fouad Y, et al.
    Heliyon, 2024 Mar 30;10(6):e28057.
    PMID: 38545133 DOI: 10.1016/j.heliyon.2024.e28057
    Cardiovascular diseases, particularly coronary artery disease, pose big challenges to human life. Deployment of the stent is a preferable treatment for the above-mentioned disease. However, stents are usually made up of shape memory alloy called Nitinol. The poorer surface finish on the machined nitinol stents accelerates the migration of Nickel ions from the implanted nitinol stent, which is considered toxic and can lead to stenosis. The current study deals with controlling surface quality by minimising surface roughness and improving corrosion resistance. Femtosecond laser (fs-laser 10-15 s) micromachining was employed to machine the Nitinol surface to achieve sub-micron surface roughness. The Grey relational analysis (GRA)-coupled design of the experimental technique was implemented to determine optimal levels of four micromachining parameters (laser power, pulse frequency, scanning speed, and scanning pattern) varied at three levels to achieve minimum surface roughness and to maximise the volume ablation. The results show that to yield minimum surface roughness and maximum volume ablation, laser power and scanning speed are in a higher range. In contrast, the pulse frequency is lower, and the scanning pattern is in a zig-zag manner. ANOVA results manifest that scanning speed is the predominant factor in minimising surface roughness, followed by pulse frequency. Furthermore, the corrosion behaviour of the machined nitinol specimens was evaluated, and the results show that specimens with lower surface roughness had lower corrosion rates.
  15. Fulltext Investigating the Impact of Carbon Nanotube Nanoparticle Exposure on Testicular Oxidative Stress and Histopathological Changes in Swiss albino Mice
    Nasim I, Ghani N, Nawaz R, Irfan A, Arshad M, Nasim M, et al.
    ACS Omega, 2024 Feb 13;9(6):6731-6740.
    PMID: 38371818 DOI: 10.1021/acsomega.3c07919
    Carbon nanotubes (CNTs) possess remarkable properties that make them valuable for various industrial applications. However, concerns have arisen regarding their potential adverse health effects, particularly in occupational settings. The main aim of this research was to examine the effects of short-term exposure to multiwalled carbon nanotube nanoparticles (MWCNT-NPs) on testicular oxidative stress in Swiss albino mice, taking into account various factors such as dosage, duration of exposure, and particle size of MWCNT-NP. In this study, 20 mice were used and placed into six different groups randomly. Four of these groups comprised four repetitions each, while the two groups served as the vehicle control with two repetitions each. The experimental groups received MWCNT-NP treatment, whereas the control group remained untreated. The mice in the experimental groups were exposed to MWCNT-NP for either 7 days or 14 days. Through oral administration, the MWCNT-NP solution was introduced at two distinct dosages: 0.45 and 0.90 μg, whereas the control group was subjected to distilled water rather than the MWCNT-NP solution. The investigation evaluated primary oxidative balance indicators-glutathione (GSH) and glutathione disulfide (GSSG)-in response to MWCNT-NP exposure. Significantly, a noticeable reduction in GSH levels and a concurrent increase in GSSG concentrations were observed in comparison to the control group. To better understand and explore the assessment of the redox status, the Nernst equation was used to calculate the redox potential. Intriguingly, the calculated redox potential exhibited a negative value, signifying an imbalance in the oxidative state in the testes. These findings suggest that short-term exposure to MWCNT-NP can lead to the initiation of testicular oxidative stress and may disrupt the male reproductive system. This is evident from the alterations observed in the levels of GSH and GSSG, as well as the negative redox potential. The research offers significant insights into the reproductive effects of exposure to MWCNTs and emphasizes the necessity of assessing oxidative stress in nanomaterial toxicity studies.
  16. Effects of anthocyanidins on the conformational transition of Aβ(1-42) peptide: Insights from molecular docking and molecular dynamics simulations
    Zakaria N, Wan Harun WMRS, Mohammad Latif MA, Azaman SNA, Abdul Rahman MB, Faujan NH
    J Mol Graph Model, 2024 Jun;129:108732.
    PMID: 38412813 DOI: 10.1016/j.jmgm.2024.108732
    Recent evidence from in vitro and in vivo studies has shown that anthocyanins and anthocyanidins can reduce and inhibit the amyloid beta (Aβ) species, one of the hallmarks of Alzheimer's disease (AD). However, their inhibition mechanisms on Aβ species at molecular details remain elusive. Therefore, in the present study, molecular modelling methods were employed to investigate their inhibitory mechanisms on Aβ(1-42) peptide. The results highlighted that anthocyanidins effectively inhibited the conformational transitions of helices into beta-sheet (β-sheet) conformation within Aβ(1-42) peptide by two different mechanisms: 1) the obstruction of two terminals from coming into contact due to the binding of anthocyanidins with residues of N- and second hydrophobic core (SHC)-C-terminals, and 2) the prevention of the folding process due to the binding of anthocyanidin with the central polar (Asp23 and Lys28) and native helix (Asp23, Lys28, and Leu34) residues. These new findings on the inhibition of β-sheet formation by targeting both N- and SHC-C-terminals, and the long-established target, D23-K28 salt bridge residues, not with the conventional central hydrophobic core (CHC) as reported in the literature, might aid in designing more potent inhibitors for AD treatment.
  17. Tailoring structural and optical properties of Cu(II)-induced MgAl2O4 nanoparticles and their response to toxic dyes under solar illumination
    Javed M, Akbar N, Khan AA, Masood A, Ahmed N, Khan MJ, et al.
    Environ Sci Pollut Res Int, 2024 Aug;31(40):53532-53551.
    PMID: 39192152 DOI: 10.1007/s11356-024-34753-1
    Worldwide environmental challenges pose critical problems with the growth of the global economy. Addressing these issues requires the development of an eco-friendly and sustainable catalyst for degrading organic dye pollutants. In this study, copper-doped magnesium aluminates (CuxMg1-xAl2O4) with x = 0.0-0.8 were synthesized using a citrate-based combustion route. The inclusion of Cu(II) significantly impacted the structural, microstructural, optical, and photocatalytic activity of the catalyst. Rietveld analysis of X-ray diffraction powder profiles revealed single-phase spinels crystallized in the face-centered cubic unit cell with Fd 3 ¯ m space group. Chemical states of the ions, surface morphology, and elemental investigation were analyzed by X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, and energy-dispersive X-ray spectroscopy, respectively. UV-visible and diffuse reflectance spectroscopies confirmed the reduction of the band gap due to Cu(II) doping, validated by first-principle investigations using the WIEN2k code. The catalyst with x = 0.8 showed higher photocatalytic efficacy (90% and 93%) for removing two azo organic dye pollutants, rhodamine B and methyl orange, respectively, within 120 min. Degradation kinetics followed a pseudo-first-order mechanism. The doped (0.8) sample was structurally and morphologically stable and reusable under visible irradiation, retaining performance after three runs. Scavenger studies confirmed hydroxyl and superoxide radicals' involvement in the degradation. This work presents an effective approach to enhancing CuxMg1-xAl2O4 catalysts' photodegradation performance, with potential applications in pharmaceuticals and wastewater remediation.
  18. A survey on the occurrence of papaya ringspot virus-P (PRSV-P) in Malaysia and genetic diversity assessment of the coat protein region
    Mohsin Mohsen N, Aziz MA, Thangaraja K, Mohammad Nasir MA, Md Zoqratt MZH, Bhassu S, et al.
    Environ Monit Assess, 2024 Nov 04;196(12):1154.
    PMID: 39495404 DOI: 10.1007/s10661-024-13321-7
    Papaya ringspot virus (PRSV) is a plant virus transmitted by aphids that has spread throughout many countries, including Malaysia, causing yield losses and economic impacts to the papaya industry worldwide. PRSV infection in papaya-distinctive ring-shaped patterns on papaya leaves resulted in stunted growth and reduced fruit quality. Management strategies such as the use of resistant varieties, cultural practices, and vector control are employed to mitigate the spread of PRSV. However, the evolution of new virus strains and the uncertainties posed by climate change pose ongoing challenges for the management of PRSV worldwide. Therefore, in this present study, we aim to confirm the presence of PRSV in symptomatic papaya leaves, to depict the current status of PRSV in Malaysia. Using reverse-transcription PCR (RT-PCR) targeting PRSV partial nuclear inclusion b protein (NIb) and coat protein (CP), 13 out of 40 papaya leaves collected were found positive for the PRSV strain-P (PRSV-P). Nucleotide analysis revealed a high similarity with strains from Taiwan and India, showing 96.83%, 97.03%, and 97.03% identity with the Taiwan strains (DQ340771, AY027810) and the India strain (KJ755852), respectively. Compared to the CP gene of Malaysian isolates reported in 2016 (EU082207), several nonsynonymous mutations have been discovered suggesting genetic diversity within the PRSV population in Malaysia. Overall, this study confirms the current circulation of PRSV infection in Malaysia since it was first identified in Johore in 1991. The re-occurrence of PRSV-P in this study highlights the need for continuous monitoring and targeted management strategies to prevent the further spread of PRSV-P in Malaysia.
  19. Innovative strategies for characterizing and managing huanglongbing in citrus
    Mubeen M, Ali A, Iftikhar Y, Shahbaz M, Ullah MI, Ali MA, et al.
    World J Microbiol Biotechnol, 2024 Oct 08;40(11):342.
    PMID: 39375239 DOI: 10.1007/s11274-024-04135-3
    Huanglongbing is a severe citrus disease that causes significant tree and crop losses worldwide. It is caused by three Candidatus liberibacter species and spread by psyllids and infected budwood. Various methods have been used to diagnose and understand HLB, including recent advances in molecular and biochemical assays that explore the pathogen's mode of action and its impact on the host plant. Characterization is essential for developing sustainable HLB management strategies. Nanotechnology, particularly nano sensors and metal nanoparticles, shows potential for precise disease diagnosis and control. Additionally, antibiotics, nanomaterials, and genetic engineering techniques like transgenesis offer promising avenues for mitigating HLB. These diverse approaches, from conventional to cutting-edge, contribute to developing integrated HLB management strategies for sustainable citrus cultivation. The review highlights the significant advancements in conventional and advanced molecular and biochemical characterization of HLB, aiding in early detection and understanding of the infection mechanism. It emphasizes the multidimensional efforts required to characterize disease and devise innovative management strategies. As the citrus industry faces unprecedented challenges, exploring new frontiers in HLB research provides hope for sustainable solutions and a resilient future for global citrus cultivation.
  20. Fulltext Revolutionizing environmental cleanup: the evolution of MOFs as catalysts for pollution remediation
    Farwa U, Sandhu ZA, Kiran A, Raza MA, Ashraf S, Gulzarab H, et al.
    RSC Adv, 2024 Nov 19;14(50):37164-37195.
    PMID: 39569125 DOI: 10.1039/d4ra05642f
    The global problem of ecological safety and public health necessitates, the development of new sustainable ideas for pollution remediation. In recent development, metal-organic frameworks (MOF) are the emerging technology with remarkable potential, which have been employed in environmental remediation. MOFs are networks that are created by the coordination of metals or polyanions with ligands and contain organic components that can be customized. The interesting features of MOFs are a large surface area, tuneable porosity, functional diversity, and high predictability of pollutant adsorption, catalysis, and degradation. It is a solid material that occupies a unique position in the war against environmental pollutants. One of the main benefits of MOFs is that they exhibit selective adsorption of a wide range of pollutants, including heavy metals, organics, greenhouse gases, water and soil. Only particles with the right combination of pore size and chemical composition will achieve this selectivity, derived from the high level of specificity. Besides, they possess high catalytic ability for the removal of pollutants by means of different methods such as photocatalysis, Fenton-like reactions, and oxidative degradation. By generating mobile active sites within the framework of MOFs, we can not only ensure high affinity for pollutants but also effective transformation of toxic chemicals into less harmful or even inert end products. However, the long-term stability of MOFs is becoming more important as eco-friendly parts are replaced with those that can be used repeatedly, and systems based on MOFs that can remove pollutants in more than one way are fabricated. MOFs can reduce waste production, energy consumption as compared to the other removal process. With its endless capacities, MOF technology brings a solution to the environmental cleansing problem, working as a flexible problem solver from one field to another. The investigation of MOF synthesis and principles will allow researchers to fully understand the potential of MOFs in environmental problem solving, making the world a better place for all of us.
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