Displaying publications 1 - 20 of 943 in total

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  1. Selvaraj G, Wilfred CD
    Molecules, 2024 Mar 19;29(6).
    PMID: 38542993 DOI: 10.3390/molecules29061357
    The ability to efficiently separate CO2 from other light gases using membrane technology has received a great deal of attention due to its importance in applications such as improving the efficiency of natural gas and reducing greenhouse gas emissions. A wide range of materials has been employed for the fabrication of membranes. This paper highlights the work carried out to develop novel advanced membranes with improved separation performance. We integrated a polymerizable and amino acid ionic liquid (AAIL) with zeolite to fabricate mixed matrix membranes (MMMs). The MMMs were prepared with (vinylbenzyl)trimethylammonium chloride [VBTMA][Cl] and (vinylbenzyl)trimethylammonium glycine [VBTMA][Gly] as the polymeric support with 5 wt% zeolite particles, and varying concentrations of 1-butyl-3-methylimidazolium glycine, [BMIM][Gly] (5-20 wt%) blended together. The membranes were fabricated through photopolymerization. The extent of polymerization was confirmed using FTIR. FESEM confirmed the membranes formed are dense in structure. The thermal properties of the membranes were measured using TGA and DSC. CO2 and CH4 permeation was studied at room temperature and with a feed side pressure of 2 bar. [VBTMA][Gly]-based membranes recorded higher CO2 permeability and CO2/CH4 selectivity compared to [VBTMA][Cl]-based membranes due to the facilitated transport of CO2. The best performing membrane Gly-Gly-20 recorded permeance of 4.17 GPU and ideal selectivity of 5.49.
  2. Amran S, Salleh MZM, Hizaddin HF, Luthfi AAI, Alhadid A, Hadj-Kali MK
    Molecules, 2023 Dec 16;28(24).
    PMID: 38138617 DOI: 10.3390/molecules28248129
    The conventional hydrodenitrogenation method is expensive and involves the use of catalysts and harsh procedures. In the last few years, ionic liquids (ILs) have gained attention as a promising alternative solvent for fuel oil extractive denitrogenation. In this work, the Conductor-like Screening Model for Real Solvents (COSMO-RS) was used to screen 173 potential ILs as solvents for fuel oil. Two ILs (1-ethyl-3-methylimidazolium dicyanamide ([EMIM][N(CN)2]) and 1-ethyl-3-methylimidazolium methanesulfonate ([EMIM][MeSO3])) were selected for experimental investigation. The experimental liquid-liquid extraction of pyrrole (taken as the model nitrogen compound) from n-hexadecane (the model fuel) was conducted at 298 K and 1 atm with feed concentrations of pyrrole ranging from 10 to 50 wt%, using either the two pure ILs or their mixtures with dimethylformamide or ethylene glycol. Moreover, the NRTL model was effectively used to correlate the experimental tie lines. This work shows that the use of a binary mixture of ILs with a conventional solvent results in good selectivity, but has a low capacity for extracting pyrrole compounds. On the other hand, using an IL-IL mixture exhibits good results for both capacity and selectivity. All the ternary systems tested showed positive slopes, indicating that the nitrogen compounds had a higher affinity for the IL and binary mixture extract phase. In fact, the extraction efficiency for all the systems shows promising results. This characteristic is advantageous, as it requires less solvent to remove nitrogen compounds.
  3. Akili AWR, Hardianto A, Latip J, Permana A, Herlina T
    Molecules, 2023 Dec 08;28(24).
    PMID: 38138500 DOI: 10.3390/molecules28248010
    The emergence of antimicrobial resistance due to the widespread and inappropriate use of antibiotics has now become the global health challenge. Flavonoids have long been reported to be a potent antimicrobial agent against a wide range of pathogenic microorganisms in vitro. Therefore, new antibiotics development based on flavonoid structures could be a potential strategy to fight against antibiotic-resistant infections. This research aims to screen the potency of flavonoids of the genus Erythrina as an inhibitor of bacterial ATPase DNA gyrase B. From the 378 flavonoids being screened, 49 flavonoids show potential as an inhibitor of ATPase DNA gyrase B due to their lower binding affinity compared to the inhibitor and ATP. Further screening for their toxicity, we identified 6 flavonoids from these 49 flavonoids, which are predicted to have low toxicity. Among these flavonoids, erystagallin B (334) is predicted to have the best pharmacokinetic properties, and therefore, could be further developed as new antibacterial agent.
  4. Jiang Y, Wu H, Ho PCL, Tang X, Ao H, Chen L, et al.
    Molecules, 2023 Nov 28;28(23).
    PMID: 38067553 DOI: 10.3390/molecules28237824
    Seahorse is a valuable marine-animal drug widely used in traditional Chinese medicine (TCM), and which was first documented in the "Ben Cao Jing Ji Zhu" during the Liang Dynasty. Hippocampus kelloggi (HK) is the most common seahorse species in the medicinal material market and is one of the genuine sources of medicinal seahorse documented in the Chinese pharmacopeia. It is mainly cultivated in the Shandong, Fujian, and Guangxi Provinces in China. However, pseudo-HK, represented by Hippocampus ingens (HI) due to its similar appearance and traits, is often found in the market, compromising the safety and efficacy of clinical use. Currently, there is a lack of reliable methods for identifying these species based on their chemical composition. In this study, we employed, for the first time, a strategy combining gas chromatography-mass spectrometry (GC-MS) fingerprints and chemical patterns in order to identify HK and HI; it is also the first metabolomic study to date of HI as to chemical components. The obtained results revealed remarkable similarities in the chemical fingerprints, while significant differences were also observed. By employing hierarchical cluster analysis (HCA) and principal component analysis (PCA), based on the relative contents of their characteristic peaks, all 34 samples were successfully differentiated according to their species of origin, with samples from the same species forming distinct clusters. Moreover, nonadecanoic acid and behenic acid were exclusively detected in HK samples, further distinguishing them from HI samples. Additionally, the relative contents of lauric acid, tetradecanoic acid, pentadecanoic acid, n-hexadecanoic acid, palmitoleic acid, margaric acid, oleic acid, fenozan acid, eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA) exhibited significant differences between HK and HI (p < 0.0001), as determined by an unpaired t-test. Orthogonal partial least squares discriminant analysis (OPLS-DA) identified seven components (DHA, EPA, n-hexadecanoic acid, tetradecanoic acid, palmitoleic acid, octadecanoic acid, and margaric acid) with high discriminatory value (VIP value > 1). Thus, nonadecanoic acid, behenic acid, and these seven compounds can be utilized as chemical markers for distinguishing HK from HI. In conclusion, our study successfully developed a combined strategy of GC-MS fingerprinting and chemical pattern recognition for the identification of HK and HI, and we also discovered chemical markers that can directly differentiate between the two species. This study can provide a foundation for the authentication of Hippocampus and holds significant importance for the conservation of wild seahorse resources.
  5. Martula E, Morak-Młodawska B, Jeleń M, Okechukwu PN, Balachandran A, Tehirunavukarasu P, et al.
    Molecules, 2023 Nov 19;28(22).
    PMID: 38005384 DOI: 10.3390/molecules28227662
    Many new isomeric dipyridothiazine dimers have been presented as molecules with anticancer potential. These compounds were obtained in efficient syntheses of 1,6-, 1,8-, 2,7- and 3,6-diazaphenothiazines with selected alkylaromatic linkers. The structures of these compounds has been proven with two-dimensional spectroscopic techniques (COSY, NOESY, HSQC and HMBC) and high-resolution mass spectrometry (HRMS). In silico analyses of probable molecular targets were performed using the Way2Drug server. All new dimers were tested for anticancer activity against breast cancer line MCF7 and colon cancer line SW480. Cytotoxicity was assessed on normal L6 muscle cells. The tested dimers had high anticancer potential expressed as IC50 and the selectivity index SI. The most active derivative, 4c, showed an IC50 activity of less than 1 µM and an SI selectivity index higher than 100. Moreover, the compounds were characterized by low toxicity towards normal cells, simultaneously indicating a high cytostatic potential.
  6. Herdiana Y, Wathoni N, Shamsuddin S, Muchtaridi M
    Molecules, 2023 Nov 14;28(22).
    PMID: 38005306 DOI: 10.3390/molecules28227585
    α-mangostin (AM) is a promising natural anticancer agent that can be used in cancer research. However, its effectiveness can be limited by poor solubility and bioavailability. To address this issue, chitosan-based nanoparticles (CSNPs) have been investigated as a potential delivery system to enhance the cytotoxicity to cancer cells and improve selectivity against normal cells. In this study, we developed folate-conjugated chitosan nanoparticles (F-CS-NPs) using a carbodiimide-based conjugation method to attach folate to chitosan (CS), which have different molecular weights. The NPs were crosslinked using tripolyphosphate (TPP) via ionic gelation. To characterize the F-CS-NPs, we utilized various analytical techniques, including transmission electron microscopy (TEM) to evaluate the particle size and morphology, Fourier-transform infrared spectroscopy (FTIR) to confirm the presence of functional groups, and ultraviolet-visible spectroscopy (UV-Vis) to measure the absorption spectrum and confirm the presence of folate. The particle size of AM-F-CS-NPs ranged from 180 nm to 250 nm, with many having favorable charges ranging from +40.33 ± 3.4 to 10.69 ± 1.3 mV. All NPs exhibited the same spherical morphology. The use of F-CS-NPs increased drug release, followed by a sustained release pattern. We evaluated the cytotoxicity of AM, AM-F-CS-HMW, and AM-F-CS-LMW NPs against MCF-7 cells and found IC50 values of 8.47 ± 0.49, 5.3 ± 0.01, and 4.70 ± 0.11 µg/mL, respectively. These results confirm the improved cytotoxicity of AM in MCF-7 cells when delivered via F-CS-NPs. Overall, our in vitro study demonstrated that the properties of F-CS-NPs greatly influence the cytotoxicity of AM in MCF-7 breast cancer cells (significantly different (p < 0.05)). The use of F-CS-NPs as a drug-delivery system for AM may have the potential to develop novel therapies for breast cancer.
  7. Al-Awaida W, Goh KW, Al-Ameer HJ, Gushchina YS, Torshin VI, Severin AE, et al.
    Molecules, 2023 Nov 09;28(22).
    PMID: 38005223 DOI: 10.3390/molecules28227502
    Exposure to water-pipe smoking, whether flavored or unflavored, has been shown to instigate inflammation and oxidative stress in BALB/c mice. This consequently results in alterations in the expression of inflammatory markers and antioxidant genes. This study aimed to scrutinize the impact of Epigallocatechin gallate (EGCG)-a key active component of green tea-on inflammation and oxidative stress in BALB/c mice exposed to water-pipe smoke. The experimental setup included a control group, a flavored water-pipe smoke (FWP) group, an unflavored water-pipe smoke (UFWP) group, and EGCG-treated flavored and unflavored groups (FWP + EGCG and UFWP + EGCG). Expression levels of IL-6, IL1B, TNF-α, CAT, GPXI, MT-I, MT-II, SOD-I, SOD-II, and SOD-III were evaluated in lung, liver, and kidney tissues. Histopathological changes were also assessed. The findings revealed that the EGCG-treated groups manifested a significant decline in the expression of inflammatory markers and antioxidant genes compared to the FWP and UFWP groups. This insinuates that EGCG holds the capacity to alleviate the damaging effects of water-pipe smoke-induced inflammation and oxidative stress. Moreover, enhancements in histopathological features were observed in the EGCG-treated groups, signifying a protective effect against tissue damage induced by water-pipe smoking. These results underscore the potential of EGCG as a protective agent against the adverse effects of water-pipe smoking. By curbing inflammation and oxidative stress, EGCG may aid in the prevention or mitigation of smoking-associated diseases.
  8. Lu B, Zhang C, Deng DR, Weng JC, Song JX, Fan XH, et al.
    Molecules, 2023 Oct 28;28(21).
    PMID: 37959733 DOI: 10.3390/molecules28217314
    Sodium-ion batteries (SIBs) are promising alternatives to replace lithium-ion batteries as future energy storage batteries because of their abundant sodium resources, low cost, and high charging efficiency. In order to match the high energy capacity and density, designing an atomically doped carbonous material as the anode is presently one of the important strategies to commercialize SIBs. In this work, we report the preparation of high-performance dual-atom-doped carbon (C) materials using low-cost corn starch and thiourea (CH4N2S) as the precursors. The electronegativity and radii of the doped atoms and C are different, which can vary the embedding properties of sodium ions (Na+) into/on C. As sulfur (S) can effectively expand the layer spacing, it provides more channels for embedding and de-embedding Na+. The synergistic effect of N and S co-doping can remarkably boost the performance of SIBs. The capacity is preserved at 400 mAh g -1 after 200 cycles at 500 mA g-1; more notably, the initial Coulombic efficiency is 81%. Even at a high rate of high current of 10 A g-1, the cell capacity can still reach 170 mAh g-1. More importantly, after 3000 cycles at 1 A g-1, the capacity decay is less than 0.003% per cycle, which demonstrates its excellent electrochemical performance. These results indicate that high-performance carbon materials can be prepared using low-cost corn starch and thiourea.
  9. Ab Rahim AH, Yunus NM, Bustam MA
    Molecules, 2023 Oct 14;28(20).
    PMID: 37894570 DOI: 10.3390/molecules28207091
    CO2 absorption has been driven by the need for efficient and environmentally sustainable CO2 capture technologies. The development in the synthesis of ionic liquids (ILs) has attracted immense attention due to the possibility of obtaining compounds with designated properties. This allows ILs to be used in various applications including, but not limited to, biomass pretreatment, catalysis, additive in lubricants and dye-sensitive solar cell (DSSC). The utilization of ILs to capture carbon dioxide (CO2) is one of the most well-known processes in an effort to improve the quality of natural gas and to reduce the green gases emission. One of the key advantages of ILs relies on their low vapor pressure and high thermal stability properties. Unlike any other traditional solvents, ILs exhibit high solubility and selectivity towards CO2. Frequently studied ILs for CO2 absorption include imidazolium-based ILs such as [HMIM][Tf2N] and [BMIM][OAc], as well as ILs containing amine groups such as [Cho][Gly] and [C1ImPA][Gly]. Though ILs are being considered as alternative solvents for CO2 capture, their full potential is limited by their main drawback, namely, high viscosity. Therefore, the hybridization of ILs has been introduced as a means of optimizing the performance of ILs, given their promising potential in capturing CO2. The resulting hybrid materials are expected to exhibit various ranges of chemical and physical characteristics. This review presents the works on the hybridization of ILs with numerous materials including activated carbon (AC), cellulose, metal-organic framework (MOF) and commercial amines. The primary focus of this review is to present the latest innovative solutions aimed at tackling the challenges associated with IL viscosity and to explore the influences of ILs hybridization toward CO2 capture. In addition, the development and performance of ILs for CO2 capture were explored and discussed. Lastly, the challenges in ILs hybridization were also being addressed.
  10. Tan YY, Wong LS, Nyam KL, Wittayanarakul K, Zawawi NA, Rajendran K, et al.
    Molecules, 2023 Sep 22;28(19).
    PMID: 37836592 DOI: 10.3390/molecules28196749
    Zinc oxide nanoparticles have high levels of biocompatibility, a low impact on environmental contamination, and suitable to be used as an ingredient for environmentally friendly skincare products. In this study, biogenically synthesized zinc oxide nanoparticles using Dendrobium anosum are used as a reducing and capping agent for topical anti-acne nanogels, and the antimicrobial effect of the nanogel is assessed on Cutibacterium acne and Staphylococcus aureus. Dendrobium anosmum leaf extract was examined for the presence of secondary metabolites and its total amount of phenolic and flavonoid content was determined. Both the biogenically and chemogenic-synthesized zinc oxide nanoparticles were compared using UV-Visible spectrophotometer, FE-SEM, XRD, and FTIR. To produce the topical nanogel, the biogenic and chemogenic zinc oxide nanoparticles were mixed with a carbomer and hydroxypropyl-methyl cellulose (HPMC) polymer. The mixtures were then tested for physical and chemical characteristics. To assess their anti-acne effectiveness, the mixtures were tested against C. acne and S. aureus. The biogenic zinc oxide nanoparticles have particle sizes of 20 nm and a high-phase purity. In comparison to chemogenic nanoparticles, the hydrogels with biogenically synthesized nanoparticles was more effective against Gram-positive bacteria. Through this study, the hybrid nanogels was proven to be effective against the microbes that cause acne and to be potentially used as a green product against skin infections.
  11. Velayutham M, Priya PS, Sarkar P, Murugan R, Almutairi BO, Arokiyaraj S, et al.
    Molecules, 2023 Sep 21;28(18).
    PMID: 37764521 DOI: 10.3390/molecules28186746
    Small molecules as well as peptide-based therapeutic approaches have attracted global interest due to their lower or no toxicity in nature, and their potential in addressing several health complications including immune diseases, cardiovascular diseases, metabolic disorders, osteoporosis and cancer. This study proposed a peptide, GE18 of subtilisin-like peptidase from the virulence factor of aquatic pathogenic fungus Aphanomyces invadans, which elicits anti-cancer and anti-microbial activities. To understand the potential GE18 peptide-induced biological effects, an in silico analysis, in vitro (L6 cells) and in vivo toxicity assays (using zebrafish embryo), in vitro anti-cancer assays and anti-microbial assays were performed. The outcomes of the in silico analyses demonstrated that the GE18 peptide has potent anti-cancer and anti-microbial activities. GE18 is non-toxic to in vitro non-cancerous cells and in vivo zebrafish larvae. However, the peptide showed significant anti-cancer properties against MCF-7 cells with an IC50 value of 35.34 µM, at 24 h. Besides the anti-proliferative effect on cancer cells, the peptide exposure does promote the ROS concentration, mitochondrial membrane potential and the subsequent upregulation of anti-cancer genes. On the other hand, GE18 elicits significant anti-microbial activity against P. aeruginosa, wherein GE18 significantly inhibits bacterial biofilm formation. Since the peptide has positively charged amino acid residues, it targets the cell membrane, as is evident in the FESEM analysis. Based on these outcomes, it is possible that the GE18 peptide is a significant anti-cancer and anti-microbial molecule.
  12. Sayuti NH, Zulkefli N, Tan JK, Saad N, Baharum SN, Hamezah HS, et al.
    Molecules, 2023 Sep 20;28(18).
    PMID: 37764502 DOI: 10.3390/molecules28186726
    Neuronal models are an important tool in neuroscientific research. Hydrogen peroxide (H2O2), a major risk factor of neuronal oxidative stress, initiates a cascade of neuronal cell death. Polygonum minus Huds, known as 'kesum', is widely used in traditional medicine. P. minus has been reported to exhibit a few medicinal and pharmacological properties. The current study aimed to investigate the neuroprotective effects of P. minus ethanolic extract (PMEE) on H2O2-induced neurotoxicity in SH-SY5Y cells. LC-MS/MS revealed the presence of 28 metabolites in PMEE. Our study showed that the PMEE provided neuroprotection against H2O2-induced oxidative stress by activating the Nrf2/ARE, NF-κB/IκB and MAPK signaling pathways in PMEE pre-treated differentiated SH-SY5Y cells. Meanwhile, the acetylcholine (ACH) level was increased in the oxidative stress-induced treatment group after 4 h of exposure with H2O2. Molecular docking results with acetylcholinesterase (AChE) depicted that quercitrin showed the highest docking score at -9.5 kcal/mol followed by aloe-emodin, afzelin, and citreorosein at -9.4, -9.3 and -9.0 kcal/mol, respectively, compared to the other PMEE's identified compounds, which show lower docking scores. The results indicate that PMEE has neuroprotective effects on SH-SY5Y neuroblastoma cells in vitro. In conclusion, PMEE may aid in reducing oxidative stress as a preventative therapy for neurodegenerative diseases.
  13. Al-Jaber HA, Arsad A, Bandyopadhyay S, Jaafar MZ, Tahir M, Nuhma MJ, et al.
    Molecules, 2023 Sep 18;28(18).
    PMID: 37764461 DOI: 10.3390/molecules28186685
    Alkaline-surfactant-polymer (ASP) flooding, a recognized method for oil recovery, encounters limited use due to its expense. In addition, ASP's best composition and injection sequence still remains uncertain today. This study explores conventional ASP flooding using PT SPR Langgak's special surfactants, simulating Langgak oilfield conditions in Sumatra, Indonesia. By comparing the outcomes of this flooding technique with that of starch-assisted ASP performed in another study, the benefits of adding starch nanoparticles to flooding are evident. Nano-starch ASP increased oil recovery by 18.37%, 10.76%, and 10.37% for the three configurations investigated in this study. Water flooding preceded ASP flooding, and flooding operations were carried out at 60 °C. This study employed sodium hydroxide (NaOH), sodium carbonate (Na2CO3), and specialized surfactants from PT SPR. The adopted polymer is solely hydrolyzed polyacrylamide (HPAM) at 2000 ppm. Starch nanoparticles underwent comprehensive characterization and focused more on charge stability. Purple yam nanoparticles (PYNPs) exhibited remarkable stability at -36.33 mV, unlike cassava starch nanoparticles (CSNPs') at -10.68 mV and HPAM's at -27.13 mV. Surface properties affect interactions with fluids and rocks. Crystallinity, a crucial characterization, was assessed using Origin software 2019b. CSNPs showed 24.15% crystallinity, surpassing PYNPs' 20.68%. Higher crystallinity benefits CSNPs' thermal stability. The amorphous behavior found in PYNPs makes them less suitable if applied in harsh reservoirs. This research correlated with prior findings, reinforcing starch nanoparticles' role in enhancing oil recovery. In summary, this study highlighted conventional ASP flooding using HPAM as the sole polymer and compared it with three formations that used two starch nanoparticles included with HPAM, assessing their impact on charge stability, crystallinity, and recovery rate to emphasize their importance in the oil recovery industry. Starch nanoparticles' benefits and limitations guided further investigation in this study.
  14. Sellamuthu S, Chowdhury ZZ, Khalid K, Shibly SM, Rahman MM, Rana M, et al.
    Molecules, 2023 Sep 15;28(18).
    PMID: 37764415 DOI: 10.3390/molecules28186640
    In this research, activated carbon (AC) was synthesized from ligno-cellulosic residues of Adansonia kilima (Baobab) wood chips (AKTW) using two-step semi-carbonization and subsequent pyrolysis using microwave-induced heating (MWP) in the presence of a mild activating agent of K2CO3. The influence of process input variables of microwave power (x1), residence time (y1), and amount of K2CO3 (z1) were analysed to yield superior quality carbon having maximum removal efficiencies (R1) for lead (II) cations from waste effluents, fixed carbon percentages (R2), and carbon yield percentages (R3). Analysis of variance (ANOVA) was used to develop relevant mathematical models, with an appropriate statistical assessment of errors. Level factorial response surface methodology (RSM) relying on the Box-Behnken design (BBD) was implemented for the experimental design. The surface area and porous texture of the samples were determined using Brunauer, Emmett, and Teller (BET) adsorption/desorption curves based on the N2 isotherm. Surface morphological structure was observed using field emission scanning electron microscopic (FESEM) analysis. Thermogravimetric analysis (TGA) was carried out to observe the thermal stability of the sample. Change in the carbon content of the samples was determined using ultimate analysis. X-ray diffraction (XRD) analysis was performed to observe the crystalline and amorphous texture of the samples. The retention of a higher proportion of fixed carbon (80.01%) ensures that the synthesized adsorbent (AKTWAC) will have a greater adsorption capacity while avoiding unwanted catalytic activity for our synthesized final sample.
  15. Hue KY, Lew JH, Myo Thant MM, Matar OK, Luckham PF, Müller EA
    Molecules, 2023 Aug 31;28(17).
    PMID: 37687196 DOI: 10.3390/molecules28176367
    In poorly consolidated carbonate rock reservoirs, solids production risk, which can lead to increased environmental waste, can be mitigated by injecting formation-strengthening chemicals. Classical atomistic molecular dynamics (MD) simulation is employed to model the interaction of polyacrylamide-based polymer additives with a calcite structure, which is the main component of carbonate formations. Amongst the possible calcite crystal planes employed as surrogates of reservoir rocks, the (1 0 4) plane is shown to be the most suitable surrogate for assessing the interactions with chemicals due to its stability and more realistic representation of carbonate structure. The molecular conformation and binding energies of pure polyacrylamide (PAM), hydrolysed polyacrylamide in neutral form (HPAM), hydrolysed polyacrylamide with 33% charge density (HPAM 33%) and sulfonated polyacrylamide with 33% charge density (SPAM 33%) are assessed to determine the adsorption characteristics onto calcite surfaces. An adsorption-free energy analysis, using an enhanced umbrella sampling method, is applied to evaluate the chemical adsorption performance. The interaction energy analysis shows that the polyacrylamide-based polymers display favourable interactions with the calcite structure. This is attributed to the electrostatic attraction between the amide and carboxyl functional groups with the calcite. Simulations confirm that HPAM33% has a lower free energy than other polymers, presumably due to the presence of the acrylate monomer in ionised form. The superior chemical adsorption performance of HPAM33% agrees with Atomic Force Microscopy experiments reported herein.
  16. Venmathi Maran BA, Palaniveloo K, Mahendran T, Chellappan DK, Tan JK, Yong YS, et al.
    Molecules, 2023 Aug 15;28(16).
    PMID: 37630329 DOI: 10.3390/molecules28166075
    Vibriosis and parasitic leech infestations cause the death of various farmed fish, such as groupers, hybrid groupers, sea bass, etc., in Malaysia and other Southeast Asian countries. In the absence of natural control agents, aquaculture operators rely on toxic chemicals to control Vibrio infections and parasitic leeches, which can have a negative impact on the environment and health. In the present study, we investigated the antivibrio and antiparasitic activities of the aqueous extract of giant sword fern (GSF) (Nephrolepis biserrata, Nephrolepidaceae, locally known as "Paku Pedang") against four Vibrio spp. and the parasitic leech Zeylanicobdella arugamensis, as well as its metabolic composition using the ultra-high-performance liquid chromatography-high-resolution mass spectrometry system (UHPLC-HRMS). The data show that the aqueous extract of GSF at a concentration of 100 mg/mL exhibits potent bactericidal activity against V. parahaemolyticus with a zone of inhibition of 19.5 mm. In addition, the extract showed dose-dependent activity against leeches, resulting in the complete killing of the parasitic leeches within a short period of 11-43 min when tested at concentrations ranging from 100 to 25 mg/mL. The UHPLC-HRMS analysis detected 118 metabolites in the aqueous extract of GSF. Flavonoids were the primary metabolites, followed by phenolic, aromatic, fatty acyl, terpenoid, vitamin and steroidal compounds. Notably, several of these metabolites possess antibacterial and antiparasitic properties, including cinnamaldehyde, cinnamic acid, apigenin, quercetin, cynaroside, luteolin, naringenin, wogonin, 6-gingerol, nicotinamide, abscisic acid, daidzein, salvianolic acid B, etc. Overall, our study shows the significant antibacterial and antiparasitic potential of the GSF aqueous extract, which demonstrates the presence of valuable secondary metabolites. Consequently, the aqueous extract is a promising natural alternative for the effective control of Vibrio infections and the treatment of parasitic leeches in aquaculture systems.
  17. Gammoh S, Alu'datt MH, Alhamad MN, Tranchant CC, Rababah T, Al-U'datt D, et al.
    Molecules, 2023 Aug 11;28(16).
    PMID: 37630264 DOI: 10.3390/molecules28166012
    This research aimed to determine the biofunctional properties of wheat flour (WF) protein fractions and modifications to the antioxidant, anti-α-amylase and anti-angiotensin-I converting enzyme (ACE) activities induced by the action of digestive endopeptidases in vitro. A molecular characterization of the most abundant protein fractions, i.e., albumins, glutelins-1, glutelins-2 and prolamins, showed that low- and high-MW polypeptides rich in cysteine, glutamic acid and leucine were present in albumins and glutelins, whereas low-MW subunits with a high proportion of polar amino acids prevailed in prolamins. Prolamins exhibited the second-highest water holding capacity (54%) after WF (84%), while albumins provided superior foam stability (76%). Prolamins, glutenins-1 and globulins demonstrated the highest antioxidant activity (up to 95%, 68% and 59%, respectively) both before and after hydrolysis with pepsin (P-H) or trypsin-chymotrypsin (TC-H). Prolamins, globulins and WF strongly inhibited α-amylase (>90%) before and after TC-H, and before P-H (55-71%). Moreover, P-H significantly increased α-amylase inhibition by albumins from 53 to 74%. The fractions with strong ACE inhibitory activity (70-89%) included prolamins and globulins after TC-H or P-H, as well as globulins before TC-H and WF before P-H. This novel evidence indicates that WF protein fractions and their peptide-enriched P and TC hydrolysates are excellent sources of multifunctional bioactives with antioxidant, antihyperglycemic and antihypertensive potential.
  18. Windarsih A, Bakar NKA, Dachriyanus, Yuliana ND, Riswanto FDO, Rohman A
    Molecules, 2023 Aug 09;28(16).
    PMID: 37630216 DOI: 10.3390/molecules28165964
    Beef sausage (BS) is one of the most favored meat products due to its nutrition and good taste. However, for economic purposes, BS is often adulterated with pork by unethical players. Pork consumption is strictly prohibited for religions including Islam and Judaism. Therefore, advanced detection methods are highly required to warrant the halal authenticity of BS. This research aimed to develop a liquid chromatography-high-resolution mass spectrometry (LC-HRMS) method to determine the halal authenticity of BS using an untargeted metabolomics approach. LC-HRMS was capable of detecting various metabolites in BS and BS containing pork. The presence of pork in BS could be differentiated using principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) with high accuracy. PLS-DA perfectly classified authentic BS and BS containing pork in all concentration levels of pork with R2X = (0.821), R2Y(= 0.984), and Q2 = (0.795). The level of pork in BS was successfully predicted through partial least squares (PLS) and orthogonal PLS (OPLS) chemometrics. Both models gave high R2 (>0.99) actual and predicted values as well as few errors, indicating good accuracy and precision. Identification of discriminating metabolites' potential as biomarker candidates through variable importance for projections (VIP) value revealed metabolites of 2-arachidonyl-sn-glycero-3-phosphoethanolamine, 3-hydroxyoctanoylcarnitine, 8Z,11Z,14Z-eicosatrienoic acid, D-(+)-galactose, oleamide, 3-hydroxyhexadecanoylcarnitine, arachidonic acid, and α-eleostearic acid as good indicators to detect pork. It can be concluded that LC-HRMS metabolomics combined with PCA, PLS-DA, PLS, and OPLS was successfully used to detect pork adulteration in beef sausages. The results imply that LC-HRMS untargeted metabolomics in combination with chemometrics is a promising alternative as an analytical technique to detect pork in sausage products. Further analysis of larger samples is required to warrant the reproducibility.
  19. El Hachlafi N, Mrabti HN, Al-Mijalli SH, Jeddi M, Abdallah EM, Benkhaira N, et al.
    Molecules, 2023 Aug 06;28(15).
    PMID: 37570883 DOI: 10.3390/molecules28155913
    Cedrus atlantica (Endl.) Manetti ex Carriere is an endemic tree possessing valuable health benefits which has been widely used since time immemorial in international traditional pharmacopoeia. The aim of this exploratory investigation is to determine the volatile compounds of C. atlantica essential oils (CAEOs) and to examine their in vitro antimicrobial, antioxidant, anti-inflammatory, and dermatoprotective properties. In silico simulations, including molecular docking and pharmacokinetics absorption, distribution, metabolism, excretion, and toxicity (ADMET), and drug-likeness prediction were used to reveal the processes underlying in vitro biological properties. Gas chromatography-mass spectrophotometry (GC-MS) was used for the chemical screening of CAEO. The antioxidant activity of CAEO was investigated using four in vitro complementary techniques, including ABTS and DPPH radicals scavenging activity, ferric reductive power, and inhibition of lipid peroxidation (β-carotene test). Lipoxygenase (5-LOX) inhibition and tyrosinase inhibitory assays were used for testing the anti-inflammatory and dermatoprotective properties. GC-MS analysis indicated that the main components of CAEO are β-himachalene (28.99%), α-himachalene (14.43%), and longifolene (12.2%). An in vitro antimicrobial activity of CAEO was examined against eleven strains of Gram-positive bacteria (three strains), Gram-negative bacteria (four strains), and fungi (four strains). The results demonstrated high antibacterial and antifungal activity against ten of them (>15 mm zone of inhibition) using the disc-diffusion assay. The microdilution test showed that the lowest values of MIC and MBC were recorded with the Gram-positive bacteria in particular, which ranged from 0.0625 to 0.25 % v/v for MIC and from 0.5 to 0.125 % v/v for MBC. The MIC and MFC of the fungal strains ranged from 0.5 to 4.0% (MIC) and 0.5 to 8.0% v/v (MFC). According to the MBC/MIC and MFC/MIC ratios, CAEO has bactericidal and fungicidal activity. The results of the in vitro antioxidant assays revealed that CAEO possesses remarkable antioxidant activity. The inhibitory effects on 5-LOX and tyrosinase enzymes was also significant (p < 0.05). ADMET investigation suggests that the main compounds of CAEO possess favorable pharmacokinetic properties. These findings provide scientific validation of the traditional uses of this plant and suggest its potential application as natural drugs.
  20. Abd Aziz NA, Awang N, Chan KM, Kamaludin NF, Mohamad Anuar NN
    Molecules, 2023 Aug 03;28(15).
    PMID: 37570810 DOI: 10.3390/molecules28155841
    Organotin (IV) dithiocarbamate has recently received attention as a therapeutic agent among organotin (IV) compounds. The individual properties of the organotin (IV) and dithiocarbamate moieties in the hybrid complex form a synergy of action that stimulates increased biological activity. Organotin (IV) components have been shown to play a crucial role in cytotoxicity. The biological effects of organotin compounds are believed to be influenced by the number of Sn-C bonds and the number and nature of alkyl or aryl substituents within the organotin structure. Ligands target and react with molecules while preventing unwanted changes in the biomolecules. Organotin (IV) dithiocarbamate compounds have also been shown to have a broad range of cellular, biochemical, and molecular effects, with their toxicity largely determined by their structure. Continuing the investigation of the cytotoxicity of organotin (IV) dithiocarbamates, this mini-review delves into the appropriate method for synthesis and discusses the elemental and spectroscopic analyses and potential cytotoxic effects of these compounds from articles published since 2010.
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