Displaying publications 1 - 20 of 64 in total

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  1. Patil VM, Gaurav A, Garg P, Masand N
    J Egypt Natl Canc Inst, 2021 Nov 08;33(1):33.
    PMID: 34746987 DOI: 10.1186/s43046-021-00091-3
    BACKGROUND: The expression of hERG K+ channels is observed in various cancer cells including epithelial, neuronal, leukemic, and connective tissue. The role of hERG potassium channels in regulating the growth and death of cancer cells include cell proliferation, survival, secretion of proangiogenic factors, invasiveness, and metastasis.

    METHODS: In the reported study, an attempt has been made to investigate some non-cancer hERG blockers as potential cancer therapeutics using a computational drug repurposing strategy. Preliminary investigation for hERG blockers/non-blockers has identified 26 potential clinically approved compounds for further studies using molecular modeling.

    RESULTS: The interactions at the binding pockets have been investigated along with the prioritization based on the binding score. Some of the identified potential hERG inhibitors, i.e., Bromocriptine, Darglitazone, and Troglitazone, have been investigated to derive the mechanism of cancer inhibition.

    CONCLUSIONS: The proposed mechanism for anti-cancer properties via hERG blocking for some of the potential compounds is required to be explored using other experimental methodologies. The drug repurposing approach applied to investigate anti-cancer therapeutics may direct to provide a therapeutic solution to late-stage cancer and benefit a significant population of patients.

    Matched MeSH terms: Ethers
  2. Usman A, Fun HK, Wang L, Zhang Y, Xu JH
    Acta Crystallogr C, 2003 Jun;59(Pt 6):o305-7.
    PMID: 12794346
    In the title compounds, C(21)H(18)N(2)O(4) and C(25)H(18)N(2)O(4), respectively, the five-membered ring of the indole system is almost planar. The oxetane and oxazole rings are individually planar. The orientations of the indole, oxetane, oxazole and phenyl moieties are conditioned by the sp(3) nature of the spiro-C atoms. In both compounds, the relative orientation of the indole and oxazole rings is opposite.
    Matched MeSH terms: Ethers, Cyclic
  3. Ziarani GM, Mohajer F, Jamali SM, Ebrahim NA
    Curr Org Synth, 2020;17(8):610-624.
    PMID: 32703138 DOI: 10.2174/1872208314666200722161044
    Rose Oxide is a monoterpene along with cyclic ether used in fragrance to produce rosy notes, in general, there are 4 stereoisomeric structures of the Rose Oxide, which the cis-configured Rose Oxide has a very unique and strong note in perfumery. In this review, several approaches were reported on account of the Rose Oxide applied in perfumery from 1864 to 2019 via quantitative and qualitative approaches.
    Matched MeSH terms: Ethers; Ethers, Cyclic
  4. Cui J, Yang Z, Xu Y, Tan CP, Zhang W
    Food Res Int, 2023 Dec;174(Pt 2):113653.
    PMID: 37981374 DOI: 10.1016/j.foodres.2023.113653
    Searching for green and ecofriendly solvents to replace classical solvents for industrial scale extraction of coconut oil is of great interest. To explore these possibilities, this study performed comprehensive comparative analyses of lipid profiles and phytosterol compositions in coconut oils obtained by extraction with n-hexane, absolute ethyl alcohol, deep eutectic solvent/n-hexane, dimethyl carbonate (DME) and cyclopentyl methyl ether (CPME) using a foodomics approach. Results indicated that CPME (64.23 g/100 g dry matter) and DME (65.64 g/100 g dry matter) showed comparable capacity for total lipid extraction of total lipids to classical solvents (63.5-65.66 g/100 g dry matter). Considering the phytosterol yield, CPME (644.26 mg/kg) exhibited higher selectivity than other solvents (535.64-622.13 mg/kg). No significant difference was observed in the fatty acid composition of coconut oil by the different solvents assayed. Additionally, total 468 lipid molecules were identified in the samples. For glycerolipid and sphingolipid, the five solvents showed comparable extraction capabilities. However, CPME exhibited higher extraction efficiency of polar lipids (glycerophospholipid and saccharolipid) than other solvents. Overall, these results may be a useful guide for the application of green solvents in industrial production of coconut oil.
    Matched MeSH terms: Methyl Ethers*
  5. Usman A, Chantrapromma S, Fun HK
    Acta Crystallogr C, 2002 Jan;58(Pt 1):m45-7.
    PMID: 11781470
    The title compound, bis(2,4-dinitrophenolato-kappa2O,O')(1,4,7,10,13,16-hexaoxadecane-kappa6O)barium(II), [Ba(C6H3N2O5)2(C12H24O6)], is a 1:1 complex of barium(II)-2,4-dinitrophenolate and 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6). Its structure is located on a crystallographic inversion centre. The temperature dependence of the crystal structure has been studied. The monoclinic beta angle of the P2(1)/n space group increases with increasing temperature. The packing structure of the complex is stabilized by intermolecular C-H...O interactions.
    Matched MeSH terms: Crown Ethers
  6. Usman A, Razak IA, Fun HK, Chantrapromma S, Zhang Y, Xu JH
    Acta Crystallogr C, 2002 May;58(Pt 5):o287-8.
    PMID: 11983994
    In the title compound, C(18)H(13)BrClNO(3), the heterocyclic ring of the indole is distorted from planarity towards an envelope conformation. The orientations of the indole, oxetane, chloro and bromophenyl substituents are conditioned by the sp(3) states of the spiro-junction and the Cl-attached C atoms.
    Matched MeSH terms: Ethers, Cyclic
  7. Atkins MP, Earle MJ, Seddon KR, Swadźba-Kwaśny M, Vanoye L
    Chem Commun (Camb), 2010 Mar 14;46(10):1745-7.
    PMID: 20177636 DOI: 10.1039/b923250h
    Selected Brønsted acidic ionic liquids were tested as homogeneous catalysts for the dehydration of methanol to dimethyl ether. Ionic liquids incorporating an alkanesulfonic acid as a part of the cation, a complex acidic anion, [A(2)H](-), or both, proved to be good catalysts for this process, providing high conversions and selectivities. Homogeneous catalysis in the liquid state represents a novel approach to dimethyl ether synthesis.
    Matched MeSH terms: Methyl Ethers/chemical synthesis*; Methyl Ethers/chemistry
  8. Wijayati N, Lestari LR, Wulandari LA, Mahatmanti FW, Rakainsa SK, Cahyono E, et al.
    Heliyon, 2021 Jan;7(1):e06058.
    PMID: 33553744 DOI: 10.1016/j.heliyon.2021.e06058
    Methoxylation is a relevant technological process applied in the production of high-value α-pinene derivatives. This report investigates the use of potassium alum [KAl(SO4)2 · 12H2O] as a catalyst in the methoxylation of α-pinene. In this study, the methoxylation reaction was optimized for the highest conversion of α-pinene and selectivity, assessed for the factors, catalyst loading (0.5; 1.0; and 1.5 g), volume ratio of α-pinene: methanol (1:4, 1:7, 1:10), reaction temperature (50, 55, 60 and 65 °C), and reaction time (72, 144, 216, 288, 360 min). The highest selectivity of KAl(SO4)2∙12H2O in the methoxylation of α-pinene was achieved under an optimal condition of 1 g of catalyst loading, volume ratio of 1:10, as well as the reaction temperature and incubation time of 65 °C and 6 h, respectively. GC-MS results revealed the yields of the methoxylated products from the 98.2% conversion of α-pinene, to be 59.6%, 8.9%, and 7.1% for α-terpinyl methyl ether (TME), fenchyl methyl ether (FME), bornyl methyl ether (BME), respectively. It was apparent that a lower KAl(SO4)2∙12H2O loading (0.5-1.5 g) was more economical for the methoxylation reaction. The findings seen here indicated the suitability of the KAl(SO4)2 · 12H2O to catalyze the methoxylation of α-pinene to produce an commercially important ethers.
    Matched MeSH terms: Ethers; Methyl Ethers
  9. Vaezzadeh V, Thomes MW, Kunisue T, Tue NM, Zhang G, Zakaria MP, et al.
    Chemosphere, 2021 Jan;263:128272.
    PMID: 33297216 DOI: 10.1016/j.chemosphere.2020.128272
    Barnacles are ubiquitous in coastal ecosystems of different geographical regions worldwide. This is the first study attempting to assess the suitability of barnacles as bioindicators of persistent organic pollutants (POPs) in coastal environments. Barnacles were collected from the coasts around Peninsular Malaysia and analyzed for POPs including polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs) and organochlorine pesticides (OCPs). Among POPs, PCBs showed the highest concentrations with elevated contributions of CB28 and CB153. As for PBDEs, BDE47 was the most frequently detected congener, while BDE209 was detected in barnacles from two stations in Port Klang and the levels reached up to >70% of total PBDE concentrations. Concentrations of OCPs detected in barnacles were in the order of CHLs > DDTs > HCHs > HCB and 4,4'-DDE and cis- and trans-chlordane were the predominant OCP compounds. A comparison with previous studies in Malaysia showed consistent levels of POPs. Green mussels collected from selected barnacles' habitats, for the sake of a comparison, showed almost similar profiles but lower concentrations of POPs. The spatial distribution of POPs observed in barnacles and comparison of POP levels and profiles with mussels indicated that barnacles can be useful bioindicators for monitoring POPs contamination in the coastal ecosystems.
    Matched MeSH terms: Halogenated Diphenyl Ethers/analysis
  10. Lee YK
    Br J Anaesth, 1972 Apr;44(4):408-11.
    PMID: 4555711
    Matched MeSH terms: Ethyl Ethers/history*
  11. Ramu K, Kajiwara N, Sudaryanto A, Isobe T, Takahashi S, Subramanian A, et al.
    Environ Sci Technol, 2007 Jul 01;41(13):4580-6.
    PMID: 17695900
    Mussel samples were used in this study to measure the levels of polybrominated diphenyl ethers (PBDEs) and organochlorines (OCs) in the coastal waters of Asian countries like Cambodia, China, Hong Kong, India, Indonesia, Japan, Korea, Malaysia, the Philippines, and Vietnam. PBDEs were detected in all the samples analyzed, and the concentrations ranged from 0.66 to 440 ng/g lipid wt. Apparently higher concentrations of PBDEs were found in mussels from the coastal waters of Korea, Hong Kong, China, and the Philippines, which suggests that significant sources of these chemicals exist in and around this region. With regard to the composition of PBDE congeners, BDE-47, BDE-99, and BDE-100 were the dominant congeners in most of the samples. Among the OCs analyzed, concentrations of DDTs were the highest followed by PCBs > CHLs > HCHs > HCB. Total concentrations of DDTs, PCBs, CHLs, and HCHs in mussel samples ranged from 21 to 58 000, 3.8 to 2000, 0.93 to 900, and 0.90 to 230 ng/g lipid wt., respectively. High levels of DDTs were found in mussels from Hong Kong, Vietnam, and China; PCBs were found in Japan, Hong Kong, and industrialized/urbanized locations in Korea, Indonesia, the Philippines, and India; CHLs were found in Japan and Hong Kong; HCHs were found in India and China. These countries seem to play a role as probable emission sources of corresponding contaminants in Asia and, in turn, may influence their global distribution.
    Matched MeSH terms: Phenyl Ethers/analysis; Phenyl Ethers/metabolism*; Halogenated Diphenyl Ethers
  12. Yusrabbil Amiyati Yusof, Zafarizal Aldrin Azizul Hasan, Azhar Ariffin
    Sains Malaysiana, 2018;47:511-515.
    This paper reports the effects of glyceryl ether specifically mono-tert-butoxypropanediol on oil in water emulsion system.
    Based on 12 HLB value, screening for stable emulsions was carried out without the presence of glyceryl ether. A stable
    emulsion was used as a control. Then the effects of glyceryl ether on the emulsion system were investigated. The emulsions
    prepared were analyzed for stability, viscosity, pH value, particle size, in vitro dermal irritation potential, in vitro ocular
    irritation potential and also moisturizing property. The incorporation of glycerol in the emulsion system was also done
    for comparison. Emulsions with glyceryl ether showed lower viscosity values than emulsions with glycerol. Furthermore,
    the emulsions also exhibited moisturizing property compared to the control emulsion. Glyceryl ether is suitable to be
    used in cosmetic products which require reduced viscosity but retain its skin hydration property.
    Matched MeSH terms: Glyceryl Ethers
  13. Salman AA, Tabandeh M, Heidelberg T, Duali Hussen RS
    Carbohydr Res, 2015 Apr 10;406:41-5.
    PMID: 25658065 DOI: 10.1016/j.carres.2014.12.015
    A series of glycolipid crown ether analogs was prepared by bis-propargylation of lauryl glycoside followed by subsequent click-coupling with ethylene glycol-based diazides. The triazole-linked macrocycles were obtained in remarkable high yields. While the surfactant assembly was affected by presence of sodium ions, suggesting the formation of complexes, no ion-selectivity was observed for the macrocylic ligands. Computational studies suggest a low but significant cation-binding activity of the macrocycle, involving coordination at both oxygen and nitrogen atoms.
    Matched MeSH terms: Crown Ethers/chemical synthesis*
  14. Nguan H, Ahmadi S, Hashim R
    J Mol Model, 2012 Dec;18(12):5041-50.
    PMID: 22752540 DOI: 10.1007/s00894-012-1497-x
    A theoretical study of a series of five glucose based glycolipid crown ethers and their complexes with Na(+) and K(+) was performed using the density functional theory with B3LYP/6-31 G* to obtain the optimized geometrical structures and electronic properties. The local nucleophilicity of the five molecules was investigated using Fukui function, while the global nucleophilicity was calculated from the ionization potential and electron affinity. The structures and coordination of the complexes were studied to identify the best match of the glycolipid crown ethers with cations. In general, it was found that the oxygen atoms pairs O2 and O3 (or O4 and O6) on the sugar ring are constrained from moving toward the cation, which results in a weaker O-cation coordination strength for the oxygen pair compared to the other oxygen atoms in the crown ether ring. The thermodynamic properties of the binding of the complexes and the exchange reaction in gas phase were evaluated. The cation selectivity pattern among the five molecules was in good agreement with the experiment.
    Matched MeSH terms: Crown Ethers/chemistry*
  15. Abbasi A, Hosseini S, Somwangthanaroj A, Mohamad AA, Kheawhom S
    Int J Mol Sci, 2019 Jul 26;20(15).
    PMID: 31357565 DOI: 10.3390/ijms20153678
    Rechargeable zinc-air batteries are deemed as the most feasible alternative to replace lithium-ion batteries in various applications. Among battery components, separators play a crucial role in the commercial realization of rechargeable zinc-air batteries, especially from the viewpoint of preventing zincate (Zn(OH)42-) ion crossover from the zinc anode to the air cathode. In this study, a new hydroxide exchange membrane for zinc-air batteries was synthesized using poly (2,6-dimethyl-1,4-phenylene oxide) (PPO) as the base polymer. PPO was quaternized using three tertiary amines, including trimethylamine (TMA), 1-methylpyrolidine (MPY), and 1-methylimidazole (MIM), and casted into separator films. The successful synthesis process was confirmed by proton nuclear magnetic resonance and Fourier-transform infrared spectroscopy, while their thermal stability was examined using thermogravimetric analysis. Besides, their water/electrolyte absorption capacity and dimensional change, induced by the electrolyte uptake, were studied. Ionic conductivity of PPO-TMA, PPO-MPY, and PPO-MIM was determined using electrochemical impedance spectroscopy to be 0.17, 0.16, and 0.003 mS/cm, respectively. Zincate crossover evaluation tests revealed very low zincate diffusion coefficient of 1.13 × 10-8, and 0.28 × 10-8 cm2/min for PPO-TMA, and PPO-MPY, respectively. Moreover, galvanostatic discharge performance of the primary batteries assembled using PPO-TMA and PPO-MPY as initial battery tests showed a high specific discharge capacity and specific power of ~800 mAh/gZn and 1000 mWh/gZn, respectively. Low zincate crossover and high discharge capacity of these separator membranes makes them potential materials to be used in zinc-air batteries.
    Matched MeSH terms: Phenyl Ethers/chemistry*
  16. Belhaj AF, Elraies KA, Alnarabiji MS, Abdul Kareem FA, Shuhli JA, Mahmood SM, et al.
    Chem Eng J, 2021 Feb 15;406:127081.
    PMID: 32989375 DOI: 10.1016/j.cej.2020.127081
    Throughout the application of enhanced oil recovery (EOR), surfactant adsorption is considered the leading constraint on both the successful implementation and economic viability of the process. In this study, a comprehensive investigation on the adsorption behaviour of nonionic and anionic individual surfactants; namely, alkyl polyglucoside (APG) and alkyl ether carboxylate (AEC) was performed using static adsorption experiments, isotherm modelling using (Langmuir, Freundlich, Sips, and Temkin models), adsorption simulation using a state-of-the-art method, binary mixture prediction using the modified extended Langmuir (MEL) model, and artificial neural network (ANN) prediction. Static adsorption experiments revealed higher adsorption capacity of APG as compared to AEC, with sips being the most fitted model with R2 (0.9915 and 0.9926, for APG and AEC respectively). It was indicated that both monolayer and multilayer adsorption took place in a heterogeneous adsorption system with non-uniform surfactant molecules distribution, which was in remarkable agreement with the simulation results. The (APG/AEC) binary mixture prediction depicted contradictory results to the experimental individual behaviour, showing that AEC had more affinity to adsorb in competition with APG for the adsorption sites on the rock surface. The adopted ANN model showed good agreement with the experimental data and the simulated adsorption values for APG and AEC showed a decreasing trend as temperature increases. Simulating the impact of binary surfactant adsorption can provide a tremendous advantage of demonstrating the binary system behaviour with less experimental data. The utilization of ANN for such prediction procedure can minimize the experimental time, operating cost and give feasible predictions compared to other computational methods. The integrated workflow followed in this study is quite innovative as it has not been employed before for surfactant adsorption studies.
    Matched MeSH terms: Ethers
  17. Mohamad R, Awang N, Jotani MM, Tiekink ER
    Acta Crystallogr E Crystallogr Commun, 2016 Aug 1;72(Pt 8):1130-7.
    PMID: 27536397 DOI: 10.1107/S2056989016011385
    The crystal and mol-ecular structures of two di-phenyl-tin bis-(di-thio-carbamate)s, [Sn(C6H5)2(C5H10NOS2)2], (I), and [Sn(C6H5)2(C7H14NO2S2)2], (II), are described. In (I), in which the metal atom lies on a twofold rotation axis, the di-thio-carbamate ligand coordinates with approximately equal Sn-S bond lengths and the ipso-C atoms of the Sn-bound phenyl groups occupy cis-positions in the resulting octa-hedral C2S4 donor set. A quite distinct coordination geometry is noted in (II), arising as a result of quite disparate Sn-S bond lengths. Here, the four S-donors define a trapezoidal plane with the ipso-C atoms lying over the weaker of the Sn-S bonds so that the C2S4 donor set defines a skewed trapezoidal bipyramid. The packing of (I) features supra-molecular layers in the ab plane sustained by methyl-ene-C-H⋯π(Sn-ar-yl) inter-actions; these stack along the c-axis direction with no specific inter-actions between them. In (II), supra-molecular chains along the b-axis direction are formed by methyl-ene-C-O(ether) inter-actions; these pack with no directional inter-actions between them. A Hirshfeld surface analysis was conducted on both (I) and (II) and revealed the dominance of H⋯H inter-actions contributing to the respective surfaces, i.e. >60% in each case, and other features consistent with the description of the mol-ecular packing above.
    Matched MeSH terms: Ethers
  18. Mohammed IA, Hamidi RM
    Molecules, 2012 Jan 10;17(1):645-56.
    PMID: 22233565 DOI: 10.3390/molecules17010645
    The phenolic Schiff bases I-VI were synthesized by condensation reactions between various diamines, namely o-dianisidine, o-tolidine and ethylenediamine with vanillin or p-hydroxybenzaldehyde and subsequent reactions between these phenolic Schiff bases and epichlorohydrin to produce new diglycidyl ethers Ia-VIa. The structures of these compounds were confirmed by CHN, FT-IR, (1)H-NMR, and (13)C-NMR spectroscopy. Their thermotropic liquid crystalline behavior was studied using differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). All the diglycidyl ethers prepared exhibit nematic mesophases, except for Va and VIa, which did not show any transition mesophases, but simply flow to liquids.
    Matched MeSH terms: Ethers/chemical synthesis*; Ethers/chemistry
  19. Ling SK, Tanaka T, Kouno I
    J Nat Prod, 2001 Jun;64(6):796-8.
    PMID: 11421747
    A new iridoid glucoside with an ether linkage between C-3 and C-10 and a novel nonglycosidic iridoid with an ether linkage between C-3 and C-6 and a lactonic linkage at C-1, named macrophylloside (1) and macrophyllide (2), respectively, were isolated from the leaves of Rothmannia macrophylla, along with six known iridoids. Their structures were established by NMR and MS spectroscopies.
    Matched MeSH terms: Ethers/isolation & purification; Ethers/chemistry*
  20. Kaw HY, Kannan N
    Rev Environ Contam Toxicol, 2017;242:153-181.
    PMID: 27807635 DOI: 10.1007/398_2016_14
    Malaysia is a developing country in Southeast Asia, with rapid industrial and economic growth. Speedy population growth and aggressive consumerism in the past five decades have resulted in environmental pollution issues, including products containing polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs). PCBs and PBDEs are classified as persistent organic pollutants (POPs) by the Stockholm Convention due to their persistence, bioaccumulation in the environment and toxicity to humans and wildlife. These compounds are known to cause liver dysfunction, thyroid toxicity, developmental neuro-toxicity and possibly cancer. PCBs in air, mussels, pellets, seawater, fresh water, and human breast milk samples were analyzed in Malaysia, while studies on the pollution level of PBDEs in Malaysia were conducted on mussels, soils, leachate and sediment samples. PCBs in breast milk collected from Malaysia was the highest among Asian developing countries, with mean concentration of 80 ng/g lipid weight. On the other hand, the mean concentration of PCBs in mussels collected from Malaysia recorded the second lowest, with 56 ng/g and 89 ng/g lipid weight in two studies respectively. The concentrations of PBDEs in mussels taken from Malaysia fall in the range of 0.84-16 ng/g lipid weight, which is considerably low compared to 104.5 ng/g lipid weight in Philippines and 90.59 ng/g in Korea. Nevertheless, there are limited studies on these compounds in Malaysia, particularly there is no research on PBDEs in breast milk and sediment samples. This review will summarize the contamination levels of PCBs and PBDEs in different samples collected from Asian countries since 1988 until 2010 with a focus on Malaysia and will provide needed information for further research in this field.
    Matched MeSH terms: Halogenated Diphenyl Ethers/analysis*; Halogenated Diphenyl Ethers/toxicity*
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