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1
Jirovetz, Leopold, Gerhard Buchbauer, Andrea Wobus, Mohamed P. Shafi, and Beena Jose. "Medicinal used plants from lndia: analysis of the essential oil of air-dried Biophvtum sensitivum (L.) DC." Scientia Pharmaceutica 72, no. 1 (March 17, 2004): 87–96. http://dx.doi.org/10.3797/scipharm.aut-04-08.
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The essential oil of the air-dried plant Biophytum sensitivum (L.) DC. (Oxalidaceae) from Southern lndia was investigated by gas chromatographic-spectroscopic (GC-FID and GC-MS) and olfactoric methods to identify compounds responsible for the characteristic odor as well as partly for the folk medicinal use of this plant. Especially benzene derivatives, such as 1,4-dimethoxy benzene (24.9%), 1,2-dimethoxy benzene (10.6%) and 2-methoxy-4-methyl phenol (3.5%), the monoterpenes (Z)-linalool oxide (8.1%), (E)-linalool oxide (5.2%) and linalyl acetate (3.4%) as well as l-octen-3-ol (9.5%) and isophorone (3.1%) were found to be main constituents (concentrations higher than 3%, calculated as relative %-peak area of GC-FID analysis using an apolar column) of this essential oil, with totally 69 compounds identified. In addition, the odor impression of the sample is described and the possible biological activity of single volatiles discussed.
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Joshi, Rajesh K. "Chemical Composition of the Essential oil ofChromolaena odorata(L.) R. M. King & H. Rob. Roots from India." Journal of Chemistry 2013 (2013): 1–4. http://dx.doi.org/10.1155/2013/195057.
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The hydrodistilled essential oil of the roots ofChromolaena odorata(L.) R. M. King & H. Rob. was analysed by gas chromatography equipped with flame ionization detector (GC-FID) and gas chromatography coupled with mass spectrometry (GC/MS). A total of twenty-nine compounds have been identified, accounting 97.6% of the total oil. The main constituents were himachalol (24.2%), 7-isopropyl-1,4-dimethyl-2-azulenol (17.6%), androencecalinol (14.1%), and 2-methoxy-6-(1-methoxy-2-propenyl) naphthalene (5.6%). The essential oil consists mainly of phenyl derivatives (41.6%), followed by oxygenated sesquiterpenes ((26.6%), long-chain hydrocarbons (18.9%), sesquiterpene hydrocarbons (6.8%), oxygenated monoterpenes (2.8%), and monoterpene hydrocarbons (0.9%). This study revealed that the roots ofC. odorataproduced different chemotypes other than leaves oil. This is the first report on the essential oil composition of the roots ofC. odorata.
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Pincock, A. L., and J. A. Pincock. "The structure, photochemical reactivity, and photophysical properties of adamantyl X-substituted aryl ethers and a comparison with the alkyl groups, methyl, tert-butyl, and allyl." Canadian Journal of Chemistry 83, no. 9 (September 1, 2005): 1237–52. http://dx.doi.org/10.1139/v05-117.
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The structure, photophysical properties, and photochemistry of the adamantyl aryl ethers 1 in both methanol and cyclohexane have been examined. UV absorption spectra, 13C NMR chemical shifts, X-ray structures, and Gaussian calculations (B3LYP/6-31G(d)) indicate that these ethers adopt a 90° conformer in the ground state. In contrast, fluorescence spectra, excited singlet state lifetimes, and calculations (TDDFT) indicated a 0° conformer is preferred in the first excited singlet state S1. Irradiation in either solvent results in the formation of adamantane and the corresponding phenol as the major products, both derived from radical intermediates generated by homolytic cleavage of the ether bond. The 4-cyano substituted ether 1j was the only one to form the ion-derived product, 1-methoxyadamantane (16% yield), on irradiation in methanol. Rate constants of bond cleavage for these ethers from S1 were estimated by two different methods by comparison with the unreactive anisoles 2, but the effect of substituents was too small to determine structurereactivity correlations. The temperature dependence of the quantum yields of the fluorescence of the unsub stituted, 4-methoxy and 4-cyano derivatives of 1 and 2 were also determined. These results indicated that the activated process for 1 was mainly bond cleavage for the 4-cyano substrate whereas for 2, it was internal conversion and intersystem crossing. Key words: aryl ether photochemistry, fluorescence, excited-state rate constants, excited-state temperature effects.
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Lu, Andy Z., Thomas Q. Hu, David A. Osmond, Brian O. Patrick, and Brian R. James. "Tetrazole ethers from lignin model phenols: synthesis, crystal structures, and photostability." Canadian Journal of Chemistry 79, no. 8 (August 1, 2001): 1201–6. http://dx.doi.org/10.1139/v01-110.
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The phenolic OH moiety in lignin is one of the key functional groups responsible for the photo-induced yellowing of mechanical wood pulps and papers. To evaluate new protective groups for the stabilization of lignin phenols, the model compounds, 2-methoxy-4-propylphenol (1) and 4-hydroxy-3-methoxyacetophenone (2) were reacted with 5-chloro-1-phenyl-1H-tetrazole to give the corresponding tetrazole ethers 1' and 2', respectively, that were then studied for their photostability. The synthesis of these ethers was more efficient than that of alkyl ethers because of less hydrolysis of the alkylating agent under the reaction conditions. Compounds 1' and 2' were fully characterized, including X-ray crystal structure analyses. Crystals of 1' and 2' were monoclinic of space groups P21/c and P21/a, respectively. For 1': a = 9.8679(6), b = 16.708(1), c = 10.2841(6) Å, β = 109.732(5)°, Z = 4. For 2': a = 7.7212(2), b = 27.350(5), c = 14.569(3) Å, β = 101.30(2)°, Z = 8. The structures were solved by direct methods and refined by full-matrix least-squares procedures to R = 0.039 (Rw = 0.046) for 2029 reflections with I [Formula: see text] 3σ(I) (for 1'), and to R = 0.055 (Rw = 0.073) for 3634 reflections with I [Formula: see text] 3σ(I) (for 2'). Compound 2' was much more photostable than the precursor phenol on exposure to strong fluorescent light, while 1' was only slightly more stable than the precursor phenol.Key words: alkylation, ethers, lignin model compounds, methylation, phenols, yellowing inhibition.
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Journal, Baghdad Science. "Synthesis of some Schiff's bases derivatives from aminoazo compounds." Baghdad Science Journal 4, no. 3 (September 2, 2007): 416–19. http://dx.doi.org/10.21123/bsj.4.3.416-419.
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Reaction of,2- [( 4- amio phenyl ) diazenyl] 1,3,4- thiadiazole -5- thiol (S1) with p- chlorobenzeldehyde,3,4 – dimethoxy benzaldehyde and pyrrol-2- carbonxaldehyde gave -5- [{4-(4-chlorobenzylidene amino) phenyl} diezenyl]-1,3,4- thiadiazole-2- thiol (S2),5-[{ 4-[(3,4- dimethoxybenzyldene )amino phenyl ] diazenyl)-1,3,4- thiadiazole-2-thiol,(S3) and -5- [4-(1,H – pyrrol -2- yl- methylene)amino phenyl] diazenyl)-1,3,4- thiadiazole-2- thiol (S4) respectively as schiff's bases compounds. On the same route-2-[(4-amino-1- naphthyl ) diazenyl] -1,3,4- thiadiazole -5- thiol (S5) reacts with –p- chloro benzaldehyde and –m- nitrobenzaldehyde to give the follwing schiff's bases -5-[{ 4-(4- chloro benzylidene ) amino -1- naphthyl} diazenyl] -1,3,4- thiadiazole -2- thiol (S6) and -5- ({ 4- [3- nitrobenzylidene) amino] -1- naphthyl({ diazenyl) -1,3,4 – thiadiazole-2- thiol (S7). Sn2 reaction was carried out by the reaction of compound (S6,S7) with bromo ethyl acetate to get ethyl[5{4-(4- chlorobenzylidene amino)-1- naphthyl} diazenyl] -1- 1,3,4- thiadiazole-2- yl- thio] acetate (S8) and ethyl [5-{4- (2- nitrobenzylidene amino)-1- naphthyl diazenyl] -1,3,4- thiadiazole -2-yl-acetate (S9).(Fig.1).
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Ceesay, Abdoulie, Mariana Nor Shamsudin, Mohammed Aliyu-Paiko, Intan Safinar Ismail, Muhammad Farhan Nazarudin, and Norfarrah Mohamed Alipiah. "Extraction and Characterization of Organ Components of the Malaysian Sea Cucumber Holothuria leucospilota Yielded Bioactives Exhibiting Diverse Properties." BioMed Research International 2019 (April 15, 2019): 1–16. http://dx.doi.org/10.1155/2019/2640684.
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The aim of the present study was to extract and characterize bioactive components from separate body organs of Holothuria leucospilota. Preliminary qualitative assessment of the crude extracts was positive for phenols, terpenoids, carbohydrates, flavonoids, saponins, glycosides, cardiac glycosides, steroids, phlobatannins, and tannins in all body organs evaluated. Phenolics were the most abundant group of bioactives accounting for approximately 80%. The extraction solvent mixtures that yielded most compounds evaluated were methanol/acetone (3:1, v:v) and methanol/distilled water (3:1, v:v). In other analyses, GC-MS data revealed diverse metabolic and biologically active compounds, where those in high concentrations included 2-Pentanone, 4-hydroxy-4-methyl- among the ketones; phenol- 2,4-bis(1,1-dimethylethyl)-, a phenol group; and 2-Chlorooctane, a hydrocarbon. Among FA and their methyl/ethyl esters, n-hexadecanoic acid, 5,8,11,14-eicosatetraenoic acid ethyl ester (arachidonic acid), and 5,8,11,14,17-eicosapentaenoic acid methyl ester (EPA) were among the most abundant FAMEs accounting for approximately 50% of the subgroups measured. Data from GC-FID analysis revealed methyl laurate (C12:0), methyl myristate (C14:0), methyl palmitate (C16:0), and methyl stearate (18:0) methyl esters as the most abundant saturated FA, whereas cis-9-oleic methyl ester (C18:1) and methyl linoleate (C18:2) were found as the major monounsaturated FA and PUFA FAMEs, respectively, in the body wall of the species. Taken together, the extraction and characterization of different categories of metabolically and biologically active compounds in various organ extracts of H. leucospilota suggest that the species is potentially a rich source of cholesterol-lowering, antioxidant, antimicrobial, and anticancer agents. These substances are known to benefit human health and assist in disease prevention. These findings justify the use of sea cucumbers in traditional folklore medication and the current interest and attention focused on the species to mine for bioactives in new drugs research.
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Dinda Putri, Karina, Ni Luh Ari Yusasrini, and Komang Ayu Nocianitri. "Pengaruh Metode Pengolahan Terhadap Aktivitas Antioksidan Dan Karakteristik Teh Herbal Bubuk Daun Afrika (Vernonia amygdalina Delile)." Jurnal Ilmu dan Teknologi Pangan (ITEPA) 10, no. 1 (March 31, 2021): 77. http://dx.doi.org/10.24843/itepa.2021.v10.i01.p08.
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This study aims to determine the effect of processing methods on antioxidant activity and characteristics of African leaf herbal tea and find out the right processing method to get the highest antioxidant activity and the best characteristics. The Completely Randomized Design was used in this study with treatment methods which consisted of 4 levels, namely Method A (steam blanching and drying), Method B (withering and pan firing) Method C (withering and Drying) and Method D (steam blanching and pan firing). This study was repeated 4 times to obtain 16 experimental units. The data obtained were analyzed by analysis of variance and if the treatment had a significant effect it was followed by Duncan’s Multiple Range Test (DMRT). The parameters tested in this study include water content, ash content, total phenols, total flavonoids, color, antioxidant activity and sensory characteristics. The results showed that the methods of processing herbal tea powder of African leaves has a highly significant effect on water content, total phenol, total flavonoids, antioxidant activity, color, and sensory tests of color, taste, flavor and have a significant effect on overall reception and have no significant effect on ash content. Herbal tea powder of African leaves processed by method steaming and drying was the best treatment with a moisture content of 6.41%, ash content of 5.27%, total phenol of 2.4169 mgGAE/g, total flavonoids 2, 6563 mgQE/g, antioxidant activity 67.28%, color (L, a, b = 4.86; -49.07; 34.71), light green color, very distinctive aroma of African tea leaves, very bitter taste, and overall reception likes.
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Ouahrouch, Abdelaaziz, Moha Taourirte, Hassan Bihi Lazrek, Mohamed El Azhari, Joachim Engels, and Jan Bats. "Synthesis and structural characterization of four related α-phosphonates." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1019. http://dx.doi.org/10.1107/s2053273314089803.
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α-Aminophosphonates are structural analogues of natural amino acids. They have been the subject of considerable attention due to their potential biological activities. They may be applied as enzyme inhibitors , antibacterial agents , antitumour agents or antiviral agents [4]. α -Aminophosphonates can be synthesized via the Kabachnik–Fields reaction [5] by the coupling of a carbonyl, an amine and a dialkyl phosphite unit. We report here the synthesis and crystal structures of four diethyl [(arylamino)(4-ethynylphenyl) methyl] phosphonate derivatives, namely diethyl [(4-bromoanilino) (4-ethynyl-phenyl) methyl] phosphonate, (I), diethyl ((4-chloro-2-methyl-anilino) {4-[2-(trimethylsilyl) ethynyl] phenyl} methyl) -phosphonate, (II), diethyl ((4-fluoroanilino) {4-[2-(trimethyl-silyl) ethynyl] phenyl} methyl) phosphonate, (III), and diethyl [(4-ethynylphenyl) (naphthalen-2-ylamino) methyl] phosphonate, (IV). The X-ray analysis confirms the structures found (Fig. I-IV), the products was crystallized by slow evaporation of ethyl acetate/n-hexane solution [3].
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Yodsomnuk, Panadda, Kanya Junjeam, and Mutsee Termtanun. "Photoactivity of Fe and Zn-doped TiO2 in phenol degradation under visible light." MATEC Web of Conferences 192 (2018): 03047. http://dx.doi.org/10.1051/matecconf/201819203047.
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This study developed bandgap energy of TiO2 into the visible region for the photo-activation. The photocatalytic performance of TiO2 was improved when Fe-doping at 2% and 4% by weight, Zn-doping at 2% and 4% by weight, and doping Fe/Zn 1+1% and 2+2% by weight using flame spray pyrolysis as a synthesis method. Brunauer-Emmett-Teller (BET), ultraviolet-visible spectroscopy (UV-Vis), and x-ray diffraction (XRD) were used to characterize the properties of synthesized and all doped TiO2 photocatalysts. To prove the effectiveness, all the modified TiO2 were also compared with the pure synthesized TiO2 by performing photodegradation of phenol under 1hr visible light. The remaining phenol concentration was estimated using gas chromatography-flame ionization detector (GC-FID). Doped TiO2 enhances smaller grain size, larger specific surface area and narrower the bandgap energy after comparing with the pure synthesized TiO2. Zn-doped leads to large surface area that improved the photocatalytic activity of catalyst. However, there was no significant synergistic effect between Fe and Zn doping. The optimum condition for phenol photodegradation was at about 4%Fe doped TiO2.
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Drapak, Iryna, Borys Zimenkovsky, Lina Perekhoda, Мargarita Suleyman, Hanna Yeromina, Natalia Skaletska, Natalya Seredynska, and Anatoly Demchenko. "Search for angiotensin II receptor antagonists among 4-aryl-n-(aryl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine derivatives." Pharmacia 66, no. 4 (December 31, 2019): 181–86. http://dx.doi.org/10.3897/pharmacia.66.e36808.
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The aim of study was to find potential antihypertensive and cardiotropic drugs among new 4-aryl-N-(aryl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imines. Materials and methods: The target compounds were synthesized by condensation asymmetrical substituted thioureas with α-bromo-4-R1-acetophenones in ethanol medium. The structure and purity of the compounds synthesized were confirmed by 1H, 13C NMR-spectroscopy and elemental analysis. Docking studies of synthesized compounds to the active site of angiotensin receptor ІІ (PDB ID: 3R8A) were performed in order to find its potential inhibitors and to select promising compounds for experimental screening. Pharmacological studies of the influence on the cardiovascular system were performed. Results: The results of docking studies indicate a high affinity of all tested substances to the selected biotarget. The thermodynamic probability of binding of synthesized substances to protein 3R8A was confirmed by negative values of scoring functions. Hydrobromide of 4-(4-methoxyphenyl)-N-phenyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine 3(1) and hydrobrmide of 4-(4-methoxyphenyl)-N-(4-bromphenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine 3(3), which have the highest negative values of scoring functions, are recommended for in vivo pharmacological studies. Based on a complete analysis of the geometric location of the synthesized compounds (ligands) in the active site of the angiotensin II receptor, it was found that the complexes are formed with the involvement of Nitrogen atom of imino group, the 1,3-thiazole ring, the phenyl and alkyl moieties of the molecule form hydrogen bonds, intermolecular electrostatic and donor-acceptor interactions. The conducted pharmacological studies of the influence on the cardiovascular system have allowed to confirm the presence of antihypertensive effect inherent in compounds of this series (except for compound 3(2)). The most effective antihypertensive effect, which is similar in duration and strength of the effect of valsartan, was the effect of compound 3(5). Conclusions: In order to expand the arsenal of biologically active substances of cardiotropic action a systematic series of new 4-aryl-N-(aryl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine derivatives were synthesized. The structure and purity of the compounds synthesized were confirmed by 1H, 13C NMR-spectroscopy and elemental analysis. Based on the results of docking studies using Autodock 4.2.6 software, selected compounds with the best affinity for protein biomes (PDB codes: 3R8A) are promising for experimental studies of hypotensive and cardiotropic activity. The most effective antihypertensive effect, which is similar in duration and strength of the effect of valsartan, was the effect of compound 3(5). A comparative analysis of the results of molecular docking and in vivo results suggests that there is a positive correlation between scoring protein inhibition and experimental data.
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Holík, Miroslav, Zdeněk Friedl, Karel Waisser, and Jiří Gregor. "Multivariate Regression with Substituent Shift Increments. IV. 2-(4-X-Phenyl)-1,3-dihydro-2H-isoindole-1,3-diones and 3-(4-X-Phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones." Collection of Czechoslovak Chemical Communications 64, no. 10 (1999): 1709–26. http://dx.doi.org/10.1135/cccc19991709.
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Two series of para disubstituted benzenes were studied: 2-(4-X-phenyl)-1,3-dihydro- 2H-isoindole-1,3-diones (1) and 3-(4-X-phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones (2). Their 1H and 13C chemical shifts were correlated with substituent shift increments (SSI) aj and zj, respectively. For 13C chemical shifts, all four zj values, zi, zo, zm, and zp, were used to check the assignment and to find out possible variables for improvement of regression equations. Significant deviations from plain additivity were observed in the case of δH3 and δC3 chemical shifts. This can be explained by changes in diamagnetic anisotropy contribution induced by different twist of 4-substituent from the benzene plane caused by variable substituent in position 1.
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Jain, Nimisha, and Pradeep Kumar Singour. "Novel 3-{4-[2-Amino-4-(Substitutedphenyl)-2H-[1, 3] Oxazin/Thiazin-6-Yl} -2-Phenyl-3H-Quinazolin-4-One Derivatives as Enhancer of GABA Mediated Inhibition: Synthesis, Molecular Modeling and Pharmacological Studies." Letters in Drug Design & Discovery 17, no. 2 (February 13, 2020): 199–213. http://dx.doi.org/10.2174/1570180816666190222155404.
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Background: According to WHO, the 50 million people worldwide are suffering from epilepsy, making it one of the most common neurological diseases globally. Epilepsy is often characterized by neurobiological, cognitive, psychological and behavioral changes and that may enhance the susceptibility to seizures and affect the quality of life. Objective: The aim of the present work was to develop 2, 3 disubstituted 4-(3H)-quinazolinone derivatives in order to find an effective and highly lipophilic compound with lesser side effects and to evaluate them for anticonvulsant and neurotoxic activity. Methods: A novel series of 3-4-[2-amino-4-(substitutedphenyl)-2H-[1.3] oxazin/thiazin-6-yl 2- phenyl-3H-quinazolin-4-one derivatives were synthesized and evaluated for their anticonvulsant activity. The structures of the compound have been confirmed by spectral analysis. The molecular docking study was performed for finding the binding affinity with GABAA receptor in order to rationalize their anticonvulsant activities in a qualitative way. Quantitative estimate of drug-likeness was also performed which calculate the molecular properties and screen the molecules based on drug-likeness rules. Anticonvulsant activities of synthesized compounds were done by using (Maximal electroshock) MES induced seizures and subcutaneous pentylenetetrazole (scPTZ) induced seizure models in Wistar rats of either sex. None of the compounds demonstrated any sign of neurotoxicity. Results: Compounds 3-4-[2-amino-4-(fluorophenyl)-2H- [1, 3] oxazin-6-yl 2-phenyl-3H quinazolin-4-one (5i) and 3-4-[2-amino-4-(fluorophenyl)-2H- [1, 3] thiazin -6-yl 2-phenyl-3H quinazolin-4-one (5n) have shown significant activity against tonic seizure by the MES model and clonic seizure by scPTZ induced seizure model. Conclusion: These ten novels synthesized compounds had significant anticonvulsant activity. As a result, the compound (5i) and (5n) emerged out as the pilot molecule with a better anticonvulsant activity without any neurotoxicity, while the other compounds have moderate activity. QED analysis of compounds (5i) and (5n) also indicated that these compounds will have good oral absorption. The proposed work is to make efforts towards the development and identification of novel molecules as anticonvulsant agents by the synthesis of some novel quinazolinone derivatives with improved biological activity.
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Kishimoto, T., J. F. Kadla, H. m. Chang, and H. Jameel. "The Reactions of Lignin Model Compounds with Hydrogen Peroxide at Low pH." Holzforschung 57, no. 1 (January 8, 2003): 52–88. http://dx.doi.org/10.1515/hf.2003.008.
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Summary In peroxymonosulfuric acid bleaching, the presence of hydrogen peroxide is dependent on the reaction conditions and the conversion ratios used to generate the peroxy acid. Substantial amounts of hydrogen peroxide may be present in the reaction system under certain conditions. An understanding of the reactions of hydrogen peroxide under these conditions would be beneficial. Therefore, several simple lignin model compounds were reacted with acidic hydrogen peroxide, pH 1-3, at 70°C. In all cases the phenolic lignin model compounds reacted much faster than their non-phenolic counterparts. In fact, the extent of reaction was very much dependent on the structure of the lignin model compound. The α-hydroxyl compounds, 4-(1-Hydroxy-ethyl)-2-methoxy-phenol and 1-(3,4-Dimethoxy-phenyl)-ethanol, reacted faster than the corresponding α-carbonyl compounds with both reacting much faster than the aromatic compounds, with simple alkyl substituents. A new reaction mechanism for α-hydroxyl compounds is proposed, in which benzyl carbocation formation is followed by nucleophilic addition of hydrogen peroxide. Unlike the mechanisms proposed in the past, no evidence of aromatic hydroxylation via perhydronium ion was observed. The reactivities were very pH dependent, in that higher reactivity was associated with lower pH. Decreasing pH further increased the amount of condensation products identified, such that condensation was competitive with degradation. These condensation reactions were also present under the Caro's acid bleaching conditions at pH below 2. However, under all conditions the reactivity of acidic peroxide was found to be much less than that of peroxymonosulfuric acid.
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Kausar, Samia, Ataf Ali Altaf, Muhammad Hamayun, Nasir Rasool, Mahwish Hadait, Arusa Akhtar, Shabbir Muhammad, Amin Badshah, Syed Adnan Ali Shah, and Zainul Amiruddin Zakaria. "i-Propylammonium Lead Chloride Based Perovskite Photocatalysts for Depolymerization of Lignin Under UV Light." Molecules 25, no. 15 (July 31, 2020): 3520. http://dx.doi.org/10.3390/molecules25153520.
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Lignin depolymerization for the purpose of synthesizing aromatic molecules is a growing focus of research to find alternative energy sources. In current studies, the photocatalytic depolymerization of lignin has been investigated by two new iso-propylamine-based lead chloride perovskite nanomaterials (SK9 and SK10), synthesized by the facile hydrothermal method. Characterization was done by Powder X-Ray Diffraction (PXRD), Scanning Electron Microscopy (SEM), UV-Visible (UV-Vis), Photoluminescence (PL), and Fourier-Transform Infrared (FTIR) Spectroscopy and was used for the photocatalytic depolymerization of lignin under UV light. Lignin depolymerization was monitored by taking absorption spectra and catalytic paths studied by applying kinetic models. The %depolymerization was calculated for factors such as catalyst dose variation, initial concentration of lignin, and varying temperatures. Pseudo-second order was the best suited kinetic model, exhibiting a mechanism for lignin depolymerization that was chemically rate controlled. The activation energy (Ea) for the depolymerization reaction was found to be 15 kJ/mol, which is remarkably less than conventional depolymerization of the lignin, i.e., 59.75 kJ/mol, exhibiting significant catalytic efficiencies of synthesized perovskites. Products of lignin depolymerization obtained after photocatalytic activity at room temperature (20 °C) and at 90 °C were characterized by GC-MS analysis, indicating an increase in catalytic lignin depolymerization structural subunits into small monomeric functionalities at higher temperatures. Specifically, 2-methoxy-4-methylphenol (39%), benzene (17%), phenol (10%) and catechol (7%) were detected by GC-MS analysis of lignin depolymerization products.
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Hambley, TW, IA Newsom, and S. Sternhell. "The Structure of (1'RS, 2SR,3RS,4'SR)-2,3-(Cyclohex-2′-en-1′, 4′-ylene)-N-(4″-methyl-phenyl)succinimide." Australian Journal of Chemistry 38, no. 3 (1985): 513. http://dx.doi.org/10.1071/ch9850513.
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A single-crystal X-ray structure determination gave the crystal and molecular parameters of\ (1′RS,2SR,3RS,4′SR)-2,3-(cyclohex-2′-en-1′,4′- ylene )-N-(4′-methylphenyl) succinimide , including the positions of all hydrogen atoms and the conformation of the 4′-methylphenyi group. The latter is possibly controlled by steric interactions between the ortho hydrogen atoms on the 4″-methylphenyl ring and the carbonyl oxygen atoms of the imide moiety. The six atoms of the imide moiety [O(10), C(9), N(8), C(13), O(14) and C(5) on the ORTEP plot in Fig. 1] are planar within 0.04 Ǻ.
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Mannan, Sultana Juhara, Refaya Rezwan, Md Shajidur Rahman, and Kohinur Begum. "Isolation and Biochemical Characterization of Lactobacillus species from Yogurt and Cheese samples in Dhaka Metropolitan Area." Bangladesh Pharmaceutical Journal 20, no. 1 (April 5, 2017): 27–33. http://dx.doi.org/10.3329/bpj.v20i1.32090.
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The purpose of this study was to explore Lactobacillus species from yogurt and cheese that can be used as potential probiotics. In this study, a total of twenty five samples, fifteen from cheese and ten from yogurt were collected from local markets, Dhaka city during May-July, 2016. Single colonies were isolated by enriching in MRS broth and subsequent streaking on MRS agar plate. Total twenty five isolated bacteria were identified as Lactobacillus species by morphological, gram staining and short biochemical tests. All isolated strains were characterized for probiotic properties including acid and salt tolerance, phenol tolerance, sugar fermentation, lactose fermentation and proteolytic activity. Acid tolerance test was performed at pH 2, 3, 4, 5, 6, 7 and 8 in MRS broth. Results showed all isolates survived in highly acidic pH, however most of the strains also survived in alkaline media (pH 8). Salt tolerance test was performed at 2%, 4% and 8% NaCl in MRS broth. All isolates survived in 2% and 4% NaCl concentrations. Phenol tolerance test was performed in MRS broth with 0.1%, 0.2%, 0.3% and 0.4% phenol concentration. All strains survived in 0.1% and 0.2% phenol concentrations. Sugars such as glucose, fructose, sucrose, xylose and lactose were used for fermentation tests. Results of fermentation test showed that most isolates fermented all sugars. All strains digested casein by producing protease enzyme in skim milk agar plate. This study indicated that Lactobacillus species from yogurt and cheese samples have potential probiotic properties. Further study is needed to find specific probiotics with specific benefit from yogurt and cheese.Bangladesh Pharmaceutical Journal 20(1): 27-33, 2017
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Cannon, Kevin C., Alaa Alkurdi, Humayra Himel, Iryna Kurochka, Sabrina Liu, Miguel Costa, Brynn Sundberg, and Anthony F. Lagalante. "Selective Synthesis of Ortho-Substituted 2-Aryl-3-phenyl-1,3-thiazolidin-4-one Sulfoxides and Sulfones by S-Oxidation with Oxone®." International Journal of Chemistry 9, no. 4 (October 22, 2017): 87. http://dx.doi.org/10.5539/ijc.v9n4p87.
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S-oxidation of 2-aryl-3-phenyl-1,3-thiazolidin-4-ones with Oxone® was investigated. For all compounds evaluated, selective oxidation to the sulfoxide was realized using 3 equivalents of Oxone® at room temperature. Attempts to selectively prepare the sulfones of ortho-substituted 2-aryl-3-phenyl-1,3-thiazolidin-4-ones at high temperature by increasing the equivalents of Oxone® used were typically unsuccessful. These results contrast significantly with ortho-substituted 2-aryl-3-cyclohexyl-1,3-thiazolidin-4-ones evaluated previously. The extent of this selectivity was affected by the substituent and its position on the C2 aromatic ring. The ratio of the sulfoxide and sulfone products was quantified by isolating the products by liquid chromatography.Please find the scheme in PDF file.
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Boukthir, Mouna, Zribi Fethi, Iman Halloum, Laurent Kremer, and Fakher Chabchoub. "Synthesis and Antitubercular Evaluation of Some Novel 1,2,3,6-tetrahydropyrimidine-5-carbonitrile." JOURNAL OF ADVANCES IN CHEMISTRY 9, no. 3 (December 1, 2013): 2072–77. http://dx.doi.org/10.24297/jac.v9i3.1014.
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In an attempt to find a new class of antitubercular agents, a series of 1,2,3,6-tetrahydropyrimidine-5-carbonitrile were prepared via the reaction of ethyl N-ethoxycarbonylbenzimidate 2a-b with cyanoacetanilide derivatives 1a-c. These compounds were screened for their antitubercular activity against M. tuberculosis. Several analogues, such as 2,6-dioxo-1-phenyl-4-p-tolyl-1,2,3,6-tetrahydropyrimidine-5-carbonitrile 3a, 1-benzyl-2, 6-dioxo-4-p-tolyl-1,2,3,6-tetrahydropyrimidine-5-carbonitrile 3c and 1-benzyl-2, 6-dioxo-4-phenyl-1,2,3,6-tetrahydropyrimidine-5-carbonitrile 3d exhibited a potent antitubercular activity with an MIC values ranging from 10-35 µg/ml. Structures of the newly synthesized compounds were established by spectral data and HRMS.
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Cherkasov, Vasiliy, Yuiy Yurkin, Valeriy Avdonin, and Dmitriy Suntsov. "Self-adhesion X-ray Shielding Composite Material of EPDM Rubber with Barite: Mechanical Properties." Materiale Plastice 57, no. 1 (April 17, 2020): 28–36. http://dx.doi.org/10.37358/mp.20.1.5309.
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It is actual now to work out new radiation protecting sheeting on the basis of non-curing polymeric composition which possess self-adhesion properties, are easily mounted and dismantled and provide high tightness and low permeability. Mechanical properties of non-curing composites consisting of ethylene propylene diene monomer (EPDM), industrial oil (IO), alkyl phenol-formaldehyde resin (PF) with addition of barite (52 %) to the total material volume were investigated in this article. The aim of investigation is to find optimal content of the above mentioned components at which it would be possible to get the following properties: composite would be sticky enough (peel strength not less than 4 N/cm); character of a separation would be cohesive (on a material) and thus there would be no migration of softener and satisfactory resistance of fluidity. The results showed that PF addition till 20 % in the system EPDM/PF leads to the increasing of adhesive strength, in this case optimal oil concentration in the system EPDM/PF/IO is in the interval from 45 till 55 %. New self-adhesion lead-free material, exhibited higher X-ray-shielding properties, is also received in the result of investigation.
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Yudiyanti, Iqna, and Sabirin Matsjeh. "Aplikasi Edible Coating Pati Kulit Singkong (Manihot utilisima Pohl.) pada Tomat (Solanum Lycopersicum L.) serta Uji Kadar Total Fenol dan Kadar Vitamin C sebagai Sumber Belajar." BIODIK 6, no. 2 (June 11, 2020): 53–61. http://dx.doi.org/10.22437/bio.v6i2.9260.
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Cassava skin is underutilized by the community, so it becomes waste. Cassava skin contains starch has the potential as an edible coating. Tomatoes are prone to post-harvest damage so that the total phenol and vitamin C content decrease. Therefore, needs to be an alternative to maintain the total phenol and vitamin C contents of tomatoes in a way application of edible coating of cassava skin starch. This study aims to find out the effect of edible coating application of cassava skin starch with concentrations of 1%, 2%, 4%. on total phenol and Vitamin C content of tomatoes on day 3, 6, 12 and to find out the potential of the research results as a learning source of natural science for grade VIII of Junior High School in the material of Additive Substance. The total phenol contents were tested using the spectrophotometric method while the vitamin C contents using the iodine titration method. The results showed that the highest total phenol and vitamin C contents occured on day 12 in the 4% edible coating treatment in a row were 0.0525% and 33.2210mg /100g. Then, edible coating of cassava skin essence can maintain the total phenol and vitamin C contents of tomatoes compared to the control. The results of the study can be used as a learning source of natural science learning for grade VIII of Junior High School in the material of Additive Substance.
Abstrak
Kulit singkong kurang dimanfaatkan oleh masyarakat sehingga menjadi limbah. Kulit singkong mengandung pati yang berpotensi sebagai edible coating. Tomat mudah mengalami kerusakan pasca panen sehingga kadar total fenol dan vitamin C menurun, maka perlu adanya alternatif untuk mempertahankan kadar total fenol dan vitamin C tomat dengan cara aplikasi edible coating pati kulit singkong. Tujuan dari penelitian ini adalah untuk mengetahui pengaruh adanya aplikasi edible coating pati kulit singkong konsentrasi 1%, 2% dan 4% terhadap kadar total fenol dan kadar vitamin C tomat hari ke 3, 6 dan 12 serta mengetahui potensi hasil penelitian sebagai sumber belajar IPA SMP kelas VIII materi zat aditif. Kadar total fenol diuji menggunakan metode spektrofotometri dan kadar vitamin C menggunakan metode titrasi iodium. Hasil penelitian menunjukan kadar total fenol dan kadar vitamin C tertinggi terjadi pada hari ke 12 perlakuan edible coating 4% berturut-turut sebesar 0.0525% dan 33.2210mg/100g, maka edible coating pati kulit singkong dapat mempertahankan kadar total fenol dan vitamin C tomat dibandingkan kontrol. Hasil penelitian dapat digunakan sebagai sumber belajar IPA SMP kelas VIII materi zat aditif.
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jain, Nimisha, and Pradeep Kumar Singour. "Novel 3-Substituted-2, 3-Dihydro-2-Thioxoquinazolin-4-(1H)-one derivative as Anticonvulsants: Synthesis, Molecular Docking and Pharmacological Screening." Letters in Drug Design & Discovery 17, no. 6 (June 29, 2020): 757–71. http://dx.doi.org/10.2174/1570180816666191024090857.
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Background: According to the World Health Organization, 50 million people worldwide are suffering from epilepsy, making it one of the most common neurological diseases globally. 2,3 disubstituted quinazolinone-4-one derivatives endowed with various pharmacological activity, particularly having anticonvulsant action. Objectives: The aim of this study was to synthesize 3-Substituted-2,3-Dihydro-2-thioxoquinazolin- 4-(1H)-one derivative and evaluate for anticonvulsant activity and neurotoxicity in order to find an efficient, compound with lesser side effects. Methods: A novel series of 3-[4-(2-amino-5, 6-dihydro-4(substituted phenyl)-4H-1, 3-oxazin /thiazin-6yl) phenyl]-2, 3-dihyro-2-thioxoquinazolin-4(1H)-one derivatives (4a-4p) were synthesized. The structures of the synthesized compounds were assigned on the basis of spectral data (UV, IR, 1HNMR, 13CNMR and MS) and performed anticonvulsant activity against maximal electroshock test and Subcutaneous Pentylenetetrazole model. Neurotoxicity was assessed using a rotarod apparatus test. The molecular docking study was performed to assess their binding affinities towards Gamma-Aminobutyric Acid type A receptor. A quantitative estimate of drug-likeness was also performed, which calculates the molecular properties and screen the molecules based on drug-likeness rules. Results: Compounds 4b, 4e, 4j and 4m have shown the highest anticonvulsant activity against tonic seizure with decreased mean duration of tonic hind leg extension of 8.31, 7.35, 8.61 and 8.99 s, respectively in maximal electroshock model and increased onset time clonic convulsion duration of 94.45, 96.65, 93.51 and 91.86 s in Subcutaneous Pentylenetetrazole model. Molecular docking study revealed a better binding affinity with Gamma-Aminobutyric Acid type A receptor. Conclusion: The compound 4b and 4e emerged out as the pilot molecule with a better anticonvulsant activity without any neurotoxicity. The obtained results showed that compounds 4b and 4e could be useful as a template for future design, optimization, and investigation to produce more active analogs.
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Shi, Da-Hua, Xiao-Dong Ma, Yu-Wei Liu, Wei Min, Fu-Jun Yin, Zong-Ming Tang, Meng-Qiu Song, et al. "Synthesis, Crystal Structure and Biological Evaluation of Novel 2-Phenylthiazole Derivatives as Butyrylcholinesterase Inhibitors." Journal of Chemical Research 42, no. 7 (July 2018): 366–70. http://dx.doi.org/10.3184/174751918x15314837408346.
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To find novel butyrylcholinesterase inhibitors, three novel 2-phenylthiazole derivatives were synthesised. The synthesised compounds were characterised by NMR and single-crystal X-ray diffraction analysis. Hirshfeld surface analysis and two-dimensional fingerprint plots of the compounds were used as a theoretical approach to assess the driving force for crystal structure formation via the intermolecular interactions in the crystal lattices of the synthesised compounds. Among the three compounds, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro- 1H-pyrazol-4-yl)-2-(4-methoxyphenyl)thiazole-4-carboxamide showed the best butyrylcholinesterase-inhibition activity with an IC50 value of 75.12 μM. A docking study demonstrated that this compound interacts with the peripheral anionic site of butyrylcholinesterase.
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Smallheer, J. M., M. J. Otto, C. A. Amaral-Ly, R. A. Earl, M. J. Myers, P. Pennev, D. C. Montefiori, and M. A. Wuonola. "Synthesis and anti-HIV Activity of a Series of 2-Indolinones and Related Analogues." Antiviral Chemistry and Chemotherapy 4, no. 1 (February 1993): 27–39. http://dx.doi.org/10.1177/095632029300400104.
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A novel series of 2-indolinones with in vitro anti-HIV (human immunodeficiency virus) activity is described. Two structurally related compounds, 1, 3,3-(4- N-methyl-1,2,5,6-tetrahydropyridylmethyl)-1- phenyl-2-indolinone, and 2, its 4- N-methylpiperidinylmethyl analogue (Fig. 1), formed the basis of a structure-activity study. The synthesis of approximately 50 analogues and their respective activities vs. HIV are presented. Both 1 and 2 were effective inhibitors of HIV(IIIb) in cell protection assays with IC90 values of 4.4 and 14.9μM (2.2 and 7.9μg ml−1), respectively. In the same concentration range, 1 and 2 also inhibit syncytia formation. These compounds represent a novel class of anti-HIV agents which appear to act by inhibiting virus-dependent cell fusion.
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Adamiec, J., K. Cejpek, J. Rössner, and J. Velíšek. "Novel Strecker degradation products of tyrosine and dihydroxyphenylalanine." Czech Journal of Food Sciences 19, No. 1 (February 7, 2013): 13–18. http://dx.doi.org/10.17221/6568-cjfs.
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Tyrosine was oxidised with either potassium peroxodisulphate or glyoxal. Volatile reaction products were isolated and analysed by GC/FID and GC/MS, derivatised with diazomethane and analysed by the same methods. Eight reaction products were identified. The major products were the expected Strecker aldehyde (4-hydroxyphenylacetaldehyde) and its lower homologue 4-hydroxybenzaldehyde. They were followed by 1-(4-hydroxyphenyl)-3-propionaldehyde, phenylacetaldehyde, benzaldehyde, phenol, 4-hydroxybenzoic, and benzoic acid. Analogously, the oxidation of 3,4-dihydroxyphenylalanine yielded the corresponding Strecker aldehyde (3,4-dihydroxyphenylacetaldehyde), its lower homologue 3,4-dihydroxybenzaldehyde, 3,4-dihydroxybenzoic, 3,4-dihydroxyphenylacetic, and caffeic acid. An identification of these oxidation products of tyrosine and 3,4-dihydroxyphenylalanine assumes homolytic cleavage of the Strecker aldehydes and a recombination of free radicals formed by this cleavage. As minor products, six O- and N-heterocyclic compounds arose in systems containing glyoxal (pyrazine, methyl- and ethylpyrazine, 3-furancarbaldehyde, 5-methyl-2-furancarbaldehyde, 2-pyrrolcarbaldehyde).
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D’Agostino, Rossana, Laura Barberio, MariaCarmela Gatto, Innocenzo Muzzalupo, and Maurizio Mandalà. "Extra Virgin Olive Oil Phenols Dilate the Rat Mesenteric Artery by Activation of BKCa2+ Channels in Smooth Muscle Cells." Molecules 25, no. 11 (June 3, 2020): 2601. http://dx.doi.org/10.3390/molecules25112601.
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Accumulating evidence has shown the beneficial health effects of extra virgin olive oil (EVOO) consumption in reducing blood pressure and preventing the risk of developing hypertension. Some studies associate the hypotensive activity of EVOO to a minor component—the phenols. This study was designed to investigate the effects of EVOO phenols on the rat resistance mesenteric artery (MA) and to find out the possible vascular pathways involved. The experiments were carried out using a pressurized myograph, which allowed the effects of phenols on isolated MA to be tested under different conditions: (a) with endothelium removed; (b) with inhibition of nitric oxide synthase by Nω-Nitro-l-arginine methyl ester hydrochloride (l-NAME, 10−4 M) + Nω-Nitro-l-arginine (l-NNA, 10−4 M); (c) with inhibition of cyclooxygenase by indomethacin (10−5 M); (d) with inhibition of guanylate cyclase by 1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one (ODQ,10−5 M) or adenylate cyclase by 9-(Tetrahydro-2′-furyl)adenine (SQ, 10−5 M); (e) with depolarization by high potassium chloride (40 mM); and (f) with inhibition of the large conductance Ca2+–potassium channels (BKCa2+) with paxilline (10−5 M). EVOO phenols induce vasodilation of the endothelium, mediated by a direct effect on smooth muscle cells (SMC) by activation of BKCa2+ channels, an action by which phenols can regulate the vascular tone of the resistance artery. Phenols can be regarded as bioactive molecules that may contribute to the antihypertensive effects of EVOO.
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GLAVCHEVA, ZORNITZA, HIROHITO UMEZAWA, SHUJI OKADA, and HACHIRO NAKANISHI. "NEW TRIMETHYLAMMONIUM DERIVATIVES TOWARD SECOND-ORDER NONLINEAR OPTICS." Journal of Nonlinear Optical Physics & Materials 14, no. 03 (September 2005): 357–65. http://dx.doi.org/10.1142/s0218863505002797.
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In order to find new ionic compounds with good characteristics for second harmonic generation (SHG), the relationship between first hyperpolarizabilities (β) and the position of the cationic center with respect to the benzene ring was investigated. The β values of a series of trimethylammonium cations: X–C 6 H 4–( CH 2)n N +( CH 3)3, where X = H , CH 3, OCH 3, NH 2, and N ( CH 3)2; n = 0–2, were calculated by using the MOPAC PM3 method. Relatively large calculated β values were obtained when X = N ( CH 3)2 and X = NH 2. Series of [4-(dimethylamino)phenyl]trimethylammonium ( X = N ( CH 3)2; n = 0) and [2-(4-aminophenyl)ethyl]trimethylammonium ( X = NH 2; n = 2) derivatives were synthesized. Among them, seven SHG-active complexes were found and four crystal structures were determined.
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Saini, Minaxi, Dinesh Kumar Mehta, and Rina Das. "Biological Evaluation and Molecular Docking Studies of Synthesized 5-Substituted-2-chlorophenyl-4-chloro Derivatives Bearing Pyridazinone Moiety." Letters in Organic Chemistry 17, no. 3 (February 19, 2020): 170–83. http://dx.doi.org/10.2174/1570178616666190705152605.
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Chemical modification of pyridazinone may lead to a potent therapeutic agent. In this study, biological properties of pyridazinone derivatives were evaluated by assessing their antimicrobial and in-vitro antioxidant activities. The reaction of a mucochloric acid and 3-chloro-phenylhydrazine hydrochloride led to the formation of 5-aryl-4-chloro-2-(3-chloro-phenyl)-2H-pyridazin-3-one derivatives 2(a-j). The target compounds were synthesized using nucleophilic substitution reaction. In-silico molecular docking studies of the synthesized compounds were carried out with the help of V-Life Science MDS 4.6 software using GRIP batch docking method to find out which derivative had a better docking. The newly synthesized compounds were characterized by FTIR, 1HNMR, 13C-NMR, MS, and elemental analysis. Antimicrobial and in-vitro antioxidant activity study of the novel synthesized compounds were screened. Compounds 2f and 2g showed good antimicrobial having an MIC 12.5 μg/mL against Staphylococcus aureus and Candida albicans and in-vitro antioxidant activities having an IC50 50.84. The experimental results were further supported by molecular docking analysis with better interaction patterns.
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Akbal, Tufan, Erbil Agˇar, Sümeyye Gümüş, and Ahmet Erdönmez. "Experimental and DFT studies of Mtpnm." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1694. http://dx.doi.org/10.1107/s2053273314083053.
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Experimental and DFT studies of (Z)-N-[3- Methoxy -5-(trifluormethyl) phenyl]-1-(5- nitrothiophene -2- yl)methanamine Tufan Akbala, , Erbil Agˇarb, Sümeyye Gümüşb and Ahmet Erdönmeza aDepartment of Physics, Ondokuz Mayıs University, Samsun, Turkey . b Department of Chemistry Ondokuz Mayıs University, Samsun, Turkey E-mail: erdonmez@omu.edu.tr The title molecule, C13H12N2O3F3S, is nonplanar with an interplanar angle of 23.94(23)0 between the benzene and thiophene rings. In the crystal there exist only weak intermolecular C–H...O interactions and π...π interactions between the benzene rings and thiophene rings [centroid–centroid distance= 4.892(3) A0]. The length of the C9=N2 double bond is 1.2534 A0. This value agrees well with the analogous bond reported elsewhere. [1,2]. The theoretical calculations were performed with Gaussian03W software. In calculations, the stable structure geometries of the isolated molecules in the gas phase was investigated under the framework of Density Functional Theory (DFT). In order to find the stable molecular geometries, the global minimum scanning were performed on the potential energy surfaces and some properties of molecules such as charge densities, dipole moments and frontier orbitals (HOMO and LUMO) from B3LYP/6-31G(d) calculations. REFERENCES: [1] Akbal T., Agˇar E., Erdönmez A., 2012. Acta Cryst. E68, 2673. [2] Aygün M., Işık Ş., Öcal N., Nawaz T.M., Kaban Ş. & Büyükgüngör O., 1998. Acta Cryst. C54, 527-529. Keywords: tautomerism, crystal and molecular structure, density functional theory(DFT) studies
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Iyappan, Mathivanan, Ezhumalai Dhineshkumar, and Chinnadurai Anbuselvan. "Novel Schiff Base of E-2-(((4-Aminophenyl)imino)methyl)-5-(difluoromethoxy)phenol Fluorescence Chemosensor for Detection of Al3+, Fe2+, Cu2+ Ions and its Application towards Live Cell Imaging." Asian Journal of Chemistry 32, no. 4 (February 25, 2020): 739–45. http://dx.doi.org/10.14233/ajchem.2020.22394.
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A Schiff base compound E-2-(((4-aminophenyl)imino)methyl)-5-(difluoromethoxy)phenol was synthesized and characterized by FT-IR, 1H and 13C NMR, ESI-mass spectroscopy. The synthesized compound also selectively detects Al3+, Fe2+ and Cu2+ without any interference of other metal ions. Fluorescence titrations carried out to find the selectivity of Al3+, Fe2+ and Cu2+ in turn-on system, with binding modes of 2:1 complex, confirmed by Job′s plot. The presence of metal ions Al3+, Fe2+ and Cu2+ with receptor conformed by ESI-MS spectrum, which changed the base value at 298.00 m/z. Moreover, among the binding constant of three metals calculated (20 μM), Al3+ showed a high value of 5.7 × 104 M-1 compared to Fe2+ and Cu2+ metal ions. Prominently, the cytotoxicity activities of probe with HeLa cells were also calculated
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GOZLEKCI, Sadiye, Ebru KAFKAS, and Sezai ERCISLI. "Volatile Compounds Determined by HS/GC-MS Technique in Peel and Pulp of Fig (Ficus carica L.) Cultivars Grown in Mediterranean Region of Turkey." Notulae Botanicae Horti Agrobotanici Cluj-Napoca 39, no. 2 (November 21, 2011): 105. http://dx.doi.org/10.15835/nbha3926261.
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Aromatic profile of peels and pulps of four commercial fig cultivars (‘Bursa Siyahi’, ‘Karabakunya’, ‘Sari Lop’ and ‘Sultan Selim’) from Turkey were determined first time by using Headspace Gas Chromatogropy-Mass Spectrophotometer (HS/GC-MS) technigue. In general, aldehydes and therpenes were the major volatile group responsible aroma for peels and pulps in fig fruits. Total aldehydes were higher in pulps than peel in all cultivars. However total therpenes were higher in peel rather than in pulp. Among therpenes, β-caryophyllene were the major volatile compounds found in both peel and pulp. Phenol, 2,6-bis (1,1-dimethylethyl)-4-methyl were the second important group responsible for fig aroma presented in both peel and pulp. Among aldehydes, 2-hexanal were found in high proportion only in pulp in all cultivars. The other groups responsible fig aroma were 2-furancaboxaldehyde, 5 (hydroxymethyl), benzyaldethyde, furfural and Germacrene D. α-curcumene, β-bisabolene and β-sesquiphellandrene were determined only in cv. ‘Bursa Siyahi’ peel and pulp and discriminated this cultivar from the others.
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K, Reshma, Baluprakash T, Abdul Kaffoor H, Venkatachalapathi A, and Arumugasamy K. "GC-MS ANALYSIS OF BIO-ACTIVE COMPOUNDS FROM THE ETHANOLIC EXTRACT OF BALIOSPERMUM MONTANUM (WILD.) MUELL. ARG." Kongunadu Research Journal 5, no. 1 (June 30, 2018): 42–45. http://dx.doi.org/10.26524/krj251.
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Baliospermum montanum (Wild.) Muell. Arg., (Euphorbiaceae) is a well known medicinal plant which is used in treatment of various diseases. The present study was focussed on the separation and investigation of the phytochemical compounds from ethanolic extract by GC-MS technique. The mass spectra of thecompounds found in the extract were matched with the National Institute of Standards and Technology (NIST) library. The ethanolic extract revealed the presence of 30 bioactive compounds. The major and minor phytochemical compounds are 2,15-Dithia[3](9,10)anthracenol[3](2,6)pyridinophane,1,2,3,4-tetrahydro showed the highest peak 9.32% followed by phytol-9.08%, Neophytadiene-7.38%, 8,11-Octadecadienoic acid, methyl ester (CAS)-7.06%, 4-ethyl-6-[2-(methoxycarb onyl)ethenyl]-7-[2-(methoxycarbonyl)ethyl]1,3,5,8-tetramethyl-2-vinylporphyrin-6.72%, 2-pentafluorophenylpropanal-6.43%,4,4'-Isopropylidene-bis-(2-cyclo hexyl phenol)-5.91% etc.. Further pharmacological studies are needed to find out the medicinal aspect of these compounds.
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Al-Swaidan, Ibrahim A., Adel S. El-Azab, Amer M. Alanazi, and Alaa A. M. Abdel-Aziz. "Synthesis and Conformational Analysis of Sterically Congested (4R)-(−)-1-(2,4,6-Trimethylbenzenesulfonyl)-3-n-butyryl-4-tert-butyl-2-imidazolidinone: X-Ray Crystallography and Semiempirical Calculations." Journal of Chemistry 2014 (2014): 1–15. http://dx.doi.org/10.1155/2014/173902.
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The crystal structure of (4R)-(−)-1-(2,4,6-trimethylbenzenesulfonyl)-3-n-butyryl-4-tert-butyl-2-imidazolidinone(3)was determined by single-crystal X-ray diffraction. Compound3crystallizes in triclinic system in space groupP1 (≠1). The crystal data area=10.62165 Å,b=16.5321 Å,c=8.95729 Å,∝=91.1936∘,β=93.8496∘,γ=88.0974∘,V=1568.22 Å3,Z=3,Dcalc=1.253 g/cm3,μCuKα=15.98 cm−1,F000=636.00,T=20.0°C, andR=0.037. The crystal structure confirmed the occurrence of three molecules of3A,3B, and3Cin which then-butyryl moiety adopted thes-transoidconformation. Crystal structure also revealed that the conformation of 2,4,6-trimethylbenzenesulfonyl groups was inanti-position relative totert-butyl group. The crystal packing showed that three molecules of compound3are stacked as a result of intermolecularπ-πinteractions between the phenyl ring of one molecule and the phenyl ring of the other molecule by approaching each other to an interplanar separation of 5.034 Å. Interestingly, these stacked molecules are also connected by intermolecularCH-πinteraction. The conformational analysis of thes-transoid 3A,3B, and3Cwas separately performed by molecular mechanic MM+ force field. Additionally, computational investigation using semiempirical AM1 and PM3 methods was performed to find a correlation between experimental and calculated geometrical parameters. The data obtained suggest that the structural data furnished by the AM1 method is in better agreement with those experimentally determined for the above compound. It has been found that the lowest energetic conformer computed gives approximate correspondence with experimental solid state data.
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Mohamed, Fatma A., A. A. Mousa, R. Farouk, Y. A. Youssef, Y. A. Youssef, and Y. A. Youssef. "Union Dyeing of Wool/Polyester Blend Fabric Using Sulphatoethylsulphone Dye Derivative of C.I. Disperse Yellow 23." Research Journal of Textile and Apparel 19, no. 2 (May 1, 2015): 26–33. http://dx.doi.org/10.1108/rjta-19-02-2015-b004.
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This paper aims to synthesise, characterise and find out the properties of a model dye for convenient union dyeing of wool, polyester and wool/polyester blend fabric compared with C.I. Disperse Yellow 23. The reactive disperse dye was prepared containing sulphatoethylsulphone (SES) as a reactive group. The dye was synthesised by diazotization and coupling reaction. Firstly, we synthesized azo dye intermediate I using 1-aminobenzene-4-sulphatoethylsulphone diazotized and then coupled it with aniline. The synthesized azo dye intermediate I was diazotized and coupled with phenol to give dye 2. Different factors affecting the dyeability and fastness properties of SES dye 2 were thoroughly investigated on wool, polyester and wool/polyester blend fabrics in comparison with C.I. Disperse Yellow 23 dye 1. Maximum exhaustion and total fixation yield using sulphatoethylsulphone (SES) dye 2 were achieved on wool fabric at neutral pH 7. The dye showed high dyeing performance due to its nonionic reactive VS derivative. The dyeing results indicate high quality dyeing properties
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Purbowati, I. S. M., Karseno Karseno, and A. Maksum. "Acidity level control formulation of roselle tea functional drinks based on variations in the addition of flower petals and sugar type." Food Research 4, no. 3 (January 27, 2020): 772–79. http://dx.doi.org/10.26656/fr.2017.4(3).343.
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Roselle (Hibiscus sabdariffa) tea was a phenolic acid and anthocyanin enriched-functional drink. The high antioxidant content of roselle tea benefits to prevent degenerative diseases, such as diabetes. The acidity flavor was due to the high content of phenolic compounds and anthocyanins. This led to the addition of low glycemic index sugar. Therefore, it is necessary to understand the formulation between the variation of flower petals and sugar type’s addition. The purpose of this study was to find out the best effect of petal flowers and sugar type addition towards physical, chemical and sensory quality of roselle tea. The research design used in this study was Complete Randomized trial with 2 (two) factors and 3 replications. The first factor comprises between flower petals addition (R) towards water (w/v) of 1:100 (R1), 4:100 (R2), 7:100 (R3), and 10:100 (R4). The second factor was sugar type (G): cane sugar (G1) which comprises coconut sugar (G2) and corn sugar (G3). Observed variables in this study were physical and chemical variables (color, total phenol, anthocyanin and pH level), and sensory variable (acidity and favorable level). The best combination was R4G1 with characteristics of anthocyanins of 5.25 mg/100 mL; phenol of 24.35 mg/100 mL; pH of 2.6; L amounted to 24.70
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Zhang, Chuanwei, Kai Li, Zichao Yang, Yuliang Wang, and Haipeng Si. "The Effect of the Aqueous Extract of Bidens Pilosa L. on Androgen Deficiency Dry Eye in Rats." Cellular Physiology and Biochemistry 39, no. 1 (2016): 266–77. http://dx.doi.org/10.1159/000445622.
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Background/Aims: Bidens pilosa L. (Bp) is widely distributed in China and has been widely used as a traditional Chinese medicine. The aim of this study was to examine the effect of the extract of Bp on androgen deficiency dry eye and determine its possible mechanisms. Methods: Twenty-four rats were randomly divided into four groups: Group Con (control), Group Sal (physiological saline), Group Fin (oral finasteride), and Group Bp (oral finasteride and Bp). The dry eye model was established in group Fin and group Bp. Aqueous tear quantity was measured with phenol red-impregnated cotton threads with anesthesia. Tear film breakup time (BUT) and corneal epithelial damage were evaluated by fluorescein staining. Animals were sacrificed at 28 days, and ocular tissues (lacrimal gland and cornea) were evaluated with light microscopy; gene microarray analysis for inflammatory cytokines and Western blot were also performed. Results: Finasteride administration effectively induced dry eye in rats by 14 days after administration. Group Fin rats had significantly higher fluorescein staining scores and lower aqueous tear quantity and BUT than the group Con rats, and notable inflammatory cell infiltrates were observed in the lacrimal gland of group Fin rats. The fluorescein staining score, aqueous tear quantity and BUT significantly improved with Bp treatment in the group Bp rats, and the structures of the lacrimal gland were well maintained without significant lymphocyte infiltration. Cytokine antibody array data identified the cytokines B7-2/Cd86, IL-1β, IL-4, IL-6, IL-10, MMP-8, FasL, TNF-α and TIMP-1 as candidates for validation by Western blot. Expression levels of pro-inflammatory cytokines, including IL-1β, IL-6, and TNF-α, in group Fin were upregulated compared with group Con. Levels of anti-inflammatory cytokines, such as IL-4 and IL-10, in group Fin were also upregulated compared with those in group Con. Compared with group Fin, IL-1β, FasL, and TNF-α were significantly decreased in group Bp. Conclusion: The extract of Bp appears to be effective for the treatment of androgen deficiency dry eye in rats by improving aqueous tear quantity, maintaining tear film stability, and inhibiting the inflammation of the lacrimal gland.
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Xie, Cheng Ping, Kai Fu Li, Wan Xi Peng, Qi Mei Liu, and Dai Wei Gao. "TD-GC-MS Analysis on Volatile Organic Compounds of Chinese Fir Biomass in Simulated Hot Drying Environment." Materials Science Forum 704-705 (December 2011): 337–42. http://dx.doi.org/10.4028/www.scientific.net/msf.704-705.337.
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a necessary process, there are many volatile organic compounds of Chinese fir biomass during hot drying to pollute environment and affect the health of the people. Therefore, the chemical components from Chinese fir biomass in simulated hot drying environment were identified by TD-GC/MS to find the possible utilization of the resources and reduce environmental pollution. The main constituents at 90°С were cedrol (25.2%), 1,2-benzenedicarboxylic acid, buty l 2-methylpropyl ester (4.62%), 4-imidazolidinone, 5-(phenylmethyl)- 2-thioxo-(3.87%), acetic acid (3.85%), 1-naphthalenepropanol, .alpha.-eth enyldecahydro-.alpha.,5,5,8a-tetra (3.03%), etc. The main constituents at 120°С were cedrol (30.54%), phenol, 2,4-bis (1,1-dimethylethyl) (3.89%), globulol (2.76%), benzofuran, 2,3-dihydro-(2.71%), cyclohexasiloxane, dodecamethyl- (2.70%), .alpha.- cadinol (2.65%), taurolidine (2.33%), 2,4,6-octatrien-1-ol, 3,7-dimethyl-(E,E)- (2.31%), etc. So the volatile organic compounds of Chinese fir biomass during hot drying could be used as biomedicine, bioenergy, and so on.
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Lin, Geng-Min, Chen-Yu Yeh, Gene-Hsiang Lee, and Shie-Ming Peng. "Modified Phenyl Groups on Pyrazin Groups to Synthesized Cobalt String Complexes." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1011. http://dx.doi.org/10.1107/s2053273314089888.
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In the literature, ligand such as oligo-α-pyridylamines and oligo-naphthyridylamine are usually used in the linear metal string complex. In addition to all of the above, another series of ligand is synthesized by mixing two types of ligands. In other words, the type of ligand contains pyridyl and naphthyridyl groups. Permuting the possible permutation, we can find that symmetrical and the shortest ligand is 2,7-bis(α-pyridylamino)-1,8-naphthyridine (H2bpyany). Complexes contain bpyany2-, hexa-nickel or hexa-cobalt, axial ligands such as chloride and thiocyanate, and anions such as hexafluorophosphate and tetrafluoroborate were published1, 2. Another similar ligand that H2bpyany replaces pyridyl groups by pyrimidyl group is 2,7-bis(α-pyrimidylamino)-1,8-naphthyridine (H2bpmany). Hexanickel complexes with bpmany2- were also published3. According to the above, if we replace pyridyl group by pyrazin group, properties of complexes such as magnetic property, CV and resistance make a change. 2,7-bis(α-pyrazinamino)-1,8-naphthyridine (H2bpzany) and nickel or cobalt ions were reacted. We can get the signal in MALDI, but we cannot isolate the target. Because of this, we modified phenyl groups on pyrazin groups. By 2,7-bis(5-phenyl)-α-pyrazinamino-1,8-naphthyridine (H2bphpzany), [Co5(bphpzany)4(NCS)2] (1), [Co6(bphpzany)4(NCS)2](PF6)n (n=1 (2), n=2 (3)) have been synthesized and the crystal structures for complex 1–3 have been determined by X-ray crystallography. Three complexes are the similar component of four ligands, five or six cobalt ions, two thiocyanates as axial ligands, and hexafluorophosphate as counterions. The structural characterization is that the cobalt chain is helically wrapped by four bphpzany2–. Complex 1–3 have Co510+, Co612+ configurations, and all are air-stable.
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Allam, Heba Abdelrasheed, Amr A. Kamel, Mahmoud El-Daly, and Riham F. George. "Synthesis and vasodilator activity of some pyridazin-3(2H)-one based compounds." Future Medicinal Chemistry 12, no. 1 (January 2020): 37–50. http://dx.doi.org/10.4155/fmc-2019-0160.
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Aim: Hypertension is a major health problem worldwide resulting in high death rates due to its consequences and complications. Therefore, searching for new vasorelaxants is a must to find new vasodilators efficient for the treatment of different cardiovascular diseases. Methodology: Different 6-phenyl-3-pyridazinone based derivatives were synthesized and screened for their vasorelaxant activity according to the reported method using hydralazine as a standard. Results: The tested compounds revealed potent to mild activity with EC50 values 0.339–114.300 μM compared with hydralazine EC50 = 18.210 μM. Conclusion: The most active compounds were the acid 5, its ester analog 4 and 4-methoxyphenylhydrazide derivative 10c (EC50 = 0.339, 1.225 and 1.204 μM, respectively). Therefore, 6-phenylpyridazin-3(2 H)-one can be a hit for structural optimization to obtain promising vasorelaxants.
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Bang, EunJin, Sang-Gyun Noh, Sugyeong Ha, Hee Jung, Dae Kim, A. Lee, Min Hyun, et al. "Evaluation of the Novel Synthetic Tyrosinase Inhibitor (Z)-3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one (MHY1498) In Vitro and In Silico." Molecules 23, no. 12 (December 13, 2018): 3307. http://dx.doi.org/10.3390/molecules23123307.
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Tyrosinase is a key enzyme in melanin synthesis, catalyzing the initial rate-limiting steps of melanin synthesis. Abnormal and excessive melanin synthesis is the primary cause of serious skin disorders including melasma, senile lentigo, freckles, and age spots. In attempts to find potent and safe tyrosinase inhibitors, we designed and synthesized a novel compound, (Z)-3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one (MHY1498), and evaluated its tyrosinase inhibitory activity in vitro and in silico. The chemical structures of (Z)-3-benzylidenethiochroman-4-one analogues, including the novel compound MHY1498, were rationally designed and synthesized as hybrid structures of reported potent tyrosinase inhibitors, which were confirmed both in vitro and in vivo: (Z)-5-(substituted benzylidene)thiazolidine-2,4-diones (Compound A) and 2-(substituted phenyl)benzo[d]thiazoles (Compound B). During screening, MHY1498 showed a strong dose-dependent inhibitory effect on mushroom tyrosinase. The IC50 value of MHY1498 (4.1 ± 0.6 μM) was significantly lower than that of the positive control, kojic acid (22.0 ± 4.7 μM). In silico molecular multi-docking simulation and inhibition mechanism studies indicated that MHY1498 interacts competitively with the tyrosinase enzyme, with greater affinity for the active site of tyrosinase than the positive control. Furthermore, in B16F10 melanoma cells treated with α-melanocyte-stimulating hormone, MHY1498 suppressed both melanin production and tyrosinase activity. In conclusion, our data demonstrate that MHY1498, a synthesized novel compound, effectively inhibits tyrosinase activity and has potential for treating hyperpigmentation and related disorders.
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Steffen, V., M. Santiago, CP de la Cruz, E. Revilla, A. Machado, and J. Cano. "Effect of intraventricular injection of 1-methyl-4-phenylpyridinium: protection by acetyl-L-carnitine." Human & Experimental Toxicology 14, no. 11 (November 1995): 865–71. http://dx.doi.org/10.1177/096032719501401102.
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1-methyl-4-phenylpyridinium (MPP+) is the bioactivated product of 1-methyl-4-phenyl- 1, 2, 3, 6-tetrahydropyri dine (MPTP). The neurotoxic action of MPP+ injected intracerebroventricularly (ICV) in the rat has been stud ied, using dopaminergic systems in the substantia nigra, striatum, olfactory bulb, median eminence and hypoph ysis. The following results were obtained: (1) Rats with ICV administration of 1 μl MPP+ solution (62.5 μg of MPP+ rat) showed 50% mortality; (2) The ICV administration of MPP+ produced a decrease in dopamine (DA) concentra tion in different areas of rat CNS studied: striatum (83%), hypophysis (95%) and median eminence (70%). However, olfactory bulb and substantia nigra were not affected; (3) MPP+ by ICV administration produced neurotoxic effect on the dopaminergic system. We also studied the possible protective action of acetyl-L-carnitine (ALC) against the neurotoxic action of MPP+. Rats were intraperitoneally injected daily for 8 days with 100 mg kg-1 of ALC and 3 days from the beginning of the MPP+ treatment; (4) We found that the ALC treatment significantly protected against mortality produced by the ICV injection of MPP+. Rats treated with ALC showed no mortality; (5) We did not find a protective effect on the dopaminergic system study ing either catecholamine concentration or measuring tyro sine hydroxylase, neurofilament or glial fibrillary acid protein; (6) The results suggest that the ALC protective action could be related to energy metabolism.
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Derouiche, Lyes, Florian Pierre, Stéphane Doridot, Stéphane Ory, and Dominique Massotte. "Heteromerization of Endogenous Mu and Delta Opioid Receptors Induces Ligand-Selective Co-Targeting to Lysosomes." Molecules 25, no. 19 (September 30, 2020): 4493. http://dx.doi.org/10.3390/molecules25194493.
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Increasing evidence indicates that native mu and delta opioid receptors can associate to form heteromers in discrete brain neuronal circuits. However, little is known about their signaling and trafficking. Using double-fluorescent knock-in mice, we investigated the impact of neuronal co-expression on the internalization profile of mu and delta opioid receptors in primary hippocampal cultures. We established ligand selective mu–delta co-internalization upon activation by 1-[[4-(acetylamino)phenyl]methyl]-4-(2-phenylethyl)-4-piperidinecarboxylic acid, ethyl ester (CYM51010), [d-Ala2, NMe-Phe4, Gly-ol5]enkephalin (DAMGO), and deltorphin II, but not (+)-4-[(αR)-α-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamide (SNC80), morphine, or methadone. Co-internalization was driven by the delta opioid receptor, required an active conformation of both receptors, and led to sorting to the lysosomal compartment. Altogether, our data indicate that mu–delta co-expression, likely through heteromerization, alters the intracellular fate of the mu opioid receptor, which provides a way to fine-tune mu opioid receptor signaling. It also represents an interesting emerging concept for the development of novel therapeutic drugs and strategies.
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Bertolasi, V., P. Gilli, V. Ferretti, and G. Gilli. "Intermolecular N-H...O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers." Acta Crystallographica Section B Structural Science 54, no. 1 (February 1, 1998): 50–65. http://dx.doi.org/10.1107/s0108768197008677.
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The crystal structures of 15 compounds containing the 2-en-3-amino-1-one heterodienic system and forming intermolecular N—H...O hydrogen bonds assisted by resonance (RAHB) are reported: (1) 3-phenylamino-2-cyclohexen-1-one; (2) 3-(4-methoxyphenylamino)-2-cyclohexen-1-one; (3) 3-(4-chlorophenylamino)-2-cyclohexen-1-one; (4) 3-(4-methoxyphenylamino)-2-methyl-2-cyclohexen-1-one; (5) 3-(4-methoxyphenylamino)-5-methyl-2-cyclohexen-1-one; (6) 3-isopropylamino-5,5-dimethyl-2-cyclohexen-1-one; (7) 3-phenylamino-5,5-dimethyl-2-cyclohexen-1-one; (8) 3-(3-methoxyphenylamino)-5,5-dimethyl-2-cyclohexen-1-one; (9) N,N-3-aza-pentane-1,5-bis[1-(3-oxo-5,5-dimethyl-1-cyclohexenyl)]; (10) 3-phenylamino-6,6-dimethyl-2-cyclohexen-1-one; (11) 3-(2-methoxyphenylamino)-6,6-dimethyl-2-cyclohexen-1-one; (12) 3-(3-chlorophenylamino)-6,6-dimethyl-2-cyclohexen-1-one; (13) 3-(4-chlorophenylamino)-6,6-dimethyl-2-cyclohexen-1-one; (14) 1-(4-chlorophenyl)-4-(4-chlorophenylamino)-6-methyl-2-pyridone; (15) 3-(4-chlorophenylamino)-5-phenyl-2-cyclopenten-1,4-dione. All compounds form intermolecular N—H...O=C hydrogen bonds assisted by resonance connecting the heteroconjugated enaminonic groups in infinite chains. Chain morphologies are analyzed to find out crystal engineering rules able to predict and interpret the crystal packing. Simple secondary enaminones [i.e. (1)–(13) together with a number of structures retrieved from the Cambridge Structural Database] are found to form hydrogen bonds having π-delocalizations, as characterized by a C=O bond-length average of 1.239 ± 0.004 Å, and hydrogen-bond strengths, represented by the N...O average distance of 2.86 ± 0.05 Å, very similar to those previously found for amides. Enaminones, however, can be easily substituted by chemical groups able to influence both π-conjugations and N...O hydrogen-bond distances. Some substituted enaminones, retrieved from the literature, display, in fact, N...O hydrogen-bond distances as short as 2.627 Å and large π-delocalizations with C=O double-bond distances as long as 1.285 Å. These effects appear to be associated with (a) the presence of further π-conjugated systems involving the C=O and NH groups of the enaminone moiety or (b) the transformation of the enaminone carbonyl group in an amidic function.
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Zampieri, Daniele, Francesca Cateni, Mariarosa Moneghini, Marina Zacchigna, Erik Laurini, Domenico Marson, Alessandro De Logu, Adriana Sanna, and Maria G. Mamolo. "Imidazole and 1,2,4-Triazole-based Derivatives Gifted with Antitubercular Activity: Cytotoxicity and Computational Assessment." Current Topics in Medicinal Chemistry 19, no. 8 (June 3, 2019): 620–32. http://dx.doi.org/10.2174/1568026619666190227183826.
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Background:Mycobacterium Tuberculosis (Mtb) is the causative pathogen of Tuberculosis (TB) and outbreaks are more common among immunosuppressed persons infected with HIV. The current treatment regimens are lengthy and toxic, yet the therapy has remained unchanged for many decades, so there is a need to find new structures with selective mechanism of action. Moreover, the increased incidence of severe disseminated infections produced by undiagnosed Multidrug-resistant (MDR), worsen clinical treatment and contribute the spread of the disease.Objective:The aim of our study was to evaluate the potential of imidazole and triazole moieties for antimycobacterial activity, by synthesizing some 1-(1-(aryl)-2-(2,6-dichlorophenyl)hydrazono)ethyl- 1H-imidazole and 1H-1,2,4-triazole derivatives 2a-l.Methods:The title compounds were obtained via classical organic synthesis. The antimicrobial activity was evaluated using the method of microdilution and the cytotoxicity assay was performed by MTT method.Results:The results indicated that the presence of both the imidazole ring and that of the 2,6- dichlorosubstituted phenyl moiety, is more relevant for inhibitory activity against Mtb than the triazole nucleus and the unsubstituted phenyl ring. Among the series, (E)-1-(2-(5-chlorothiophen-2-yl)-2-(2- (2,6-dichlorophenyl)hydrazono)ethyl)-1H-imidazole derivative 2f and (Z)-1-(2-([1,1’-biphenyl]-4-yl)- 2-(2-(2,6-dichlorophenyl)hydrazono)ethyl]-1H-imidazole derivatives 2e exhibited a promising antimycobacterial property and the latter also displayed a safe cytotoxic profile.Conclusion:The synthesized compounds were studied for their antitubercular activity. Among the series, the compounds 2e and 2f appeared to be the most promising agents and, according to the docking assessment, the compounds could be CYP51 inhibitors. These evidences could be useful for the future development of new antimycobacterial derivatives targeting CYP51 with more specificity for the mycobacterial cell enzyme.
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Abdolmohammad-Zadeh, Hossein, and Elnaz Ebrahimzadeh. "Determination of cobalt in water samples by atomic absorption spectrometry after pre-concentration with a simple ionic liquid-based dispersive liquid-liquid micro-extraction methodology." Open Chemistry 8, no. 3 (June 1, 2010): 617–25. http://dx.doi.org/10.2478/s11532-010-0030-2.
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AbstractA rapid dispersive liquid-liquid micro-extraction (DLLME) methodology based on the application of 1-hexylpyridinium hexafluorophosphate [C6py][PF6] ionic liquid (IL) as an extractant solvent was applied for the pre-concentration of trace levels of cobalt prior to determination by flame atomic absorption spectrometry (FAAS). 1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP) was employed as a chelator forming a Co-PMBP complex to extract cobalt ions from aqueous solution into the fine droplets of [C6py][PF6]. Some effective factors that influence the micro-extraction efficiency include the pH, the PMBP concentration, the amount of ionic liquid, the ionic strength, the temperature and the centrifugation time which were investigated and optimized. In the optimum experimental conditions, the limit of detection (3s) and the enrichment factor were 0.70 µg L−1 and 60, respectively. The relative standard deviation (RSD) for six replicate determinations of 50 µg L−1 Co was 2.36%. The calibration graph using the pre-concentration system was linear at levels 2–166 µg L−1 with a correlation coefficient of 0.9982. The applicability of the proposed method was evaluated by the determination of trace amounts of cobalt in several water samples.
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Pino, Jorge Antonio, and Clara Elizabeth Quijano. "Study of the volatile compounds from plum (Prunus domestica L. cv. Horvin) and estimation of their contribution to the fruit aroma." Food Science and Technology 32, no. 1 (January 31, 2012): 76–83. http://dx.doi.org/10.1590/s0101-20612012005000006.
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Simultaneous Distillation-Extraction (SDE) and headspace-solid phase microextraction (HS-SPME) combined with GC-FID and GC-MS were used to analyze volatile compounds from plum (Prunus domestica L. cv. Horvin) and to estimate the most odor-active compounds by application of the Odor Activity Values (OAV). The analyses led to the identification of 148 components, including 58 esters, 23 terpenoids, 14 aldehydes, 11 alcohols, 10 ketones, 9 alkanes, 7 acids, 4 lactones, 3 phenols, and other 9 compounds of different structures. According to the results of SDE-GC-MS, SPME-GC-MS and OAV, ethyl 2-methylbutanoate, hexyl acetate, (E)-2-nonenal, ethyl butanoate, (E)-2-decenal, ethyl hexanoate, nonanal, decanal, (E)-β-ionone, Γ-dodecalactone, (Z)-3-hexenyl acetate, pentyl acetate, linalool, Γ-decalactone, butyl acetate, limonene, propyl acetate, Δ-decalactone, diethyl sulfide, (E)-2-hexenyl acetate, ethyl heptanoate, (Z)-3-hexenol, (Z)-3-hexenyl hexanoate, eugenol, (E)-2-hexenal, ethyl pentanoate, hexyl 2-methylbutanoate, isopentyl hexanoate, 1-hexanol, Γ-nonalactone, myrcene, octyl acetate, phenylacetaldehyde, 1-butanol, isobutyl acetate, (E)-2-heptenal, octadecanal, and nerol are characteristic odor active compounds in fresh plums since they showed concentrations far above their odor thresholds.
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Xu, Hai-Tang, Hua-Zhen Liao, Meng-Jun Zou, Yan-Zhi Zhao, Fu-Hou Lei, Qin Huang, Mengyao Dong, et al. "Bioactive Compounds: Antioxidant, Antibacterial and Antiproliferative Activities in Chloranthus henryi." Science of Advanced Materials 12, no. 1 (January 1, 2020): 144–51. http://dx.doi.org/10.1166/sam.2020.3684.
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This study investigates the antioxidant, antibacterial and antiproliferative properties of the ethyl acetate, chloroform, ethanol and n-butanol extracts from Chloranthus henryi. Total flavonoid content (TFC) and total phenol content (TPC) values for the extracts could be investigated. The TPC value for extracts changed from 4.36 to 19.64 milligram gallic acid equivalents per gram of dry material, and the TFC of extracts changed from 3.13 to 9.99 milligram rutin equivalents per gram of dry material. The antioxidant properties were evaluated and their antimicrobial activity was tested against bacterial strains Staphylococcus aureus, Klebsiella pneumonia, Pseudomonas aeruginosa, Group A Streptococcus and Monilia albican. The results showed that all extract displayed moderate or great potential of antioxidant and antibacterial activity. Strong correlations were observed between TPC and antioxidant activity. Five compounds could be separated from n-butanol extract, which showed high content of TPC and significant antioxidant activity. They are (1) gallic acid, (2) caffeic acid, (3) 4-hydroxybenzoic acid, (4) rosmarinic acid and methyl rosmarinate (5). Antiproliferative activity was tested using HepG2, Hela and MCF-7 cells. The study suggested that components of Chloranthus henryi possessed fine antioxidant property, therefore can be applied for antioxidant, antibacterial and antiproliferative agents in the food or drug industries.
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Kitagawa, Hakuba, Hiroyoshi Ohtsu, and Masaki Kawano. "Kinetic Assembly of a Thermally Stable Porous Coordination Network." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1246. http://dx.doi.org/10.1107/s2053273314087531.
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The advantage of porous coordination network synthesis is designability by changing metal sources and ligands.[1] Therefore, not only many commercially available ligands but also newly synthesized ones were used for networking. On the other hand, most of metal sources are common reagents or stable metal moieties because they can be more predictable as a metal connector. So far, there is no report focusing on usage of labile metal sources for selective network formation. One of the promising methods to produce unique networks with such labile metal sources is kinetic control[2] because labile metal sources produce various species in solution. In this talk, we will introduce selective syntheses of thermally stable porous coordination networks using a labile Cu4I4 cubane cluster [Cu4I4(PPh3)4] (1) and a rigid tetradentate Td-symmetry ligand tetra-(4-(4-pyridyl)phenyl)methane (2) by kinetic and thermodynamic control.[3] On heating the mixture of 1 and 2 in DMSO at 453 K, a homogenous colorless solution was obtained. Rapid cooling (~20 Kmin-1) of the solution produced yellow needle crystals, {[(CuI)2(2)]·solvent}n (3a) that shows novel CuI helical chain unit, in 99% yield (Fig. A). On the other hand, slow cooling (~3 Kmin-1) produced orange block crystals, {[(Cu2I2)(2)]·solvent}n (3b) that shows rhombic Cu2I2 dimer unit, in 95% yield. Both the network crystals can keep the crystallinity up to 673 K under N2 atmosphere. In kinetic product 3a, due to the unique structure, iodides of the CuI chains facing to 1D channel, the network crystal shows chemisorption of I2 by making a covalent bond with an iodide of part of the CuI chains to form an I3– group (Fig. B). On the other hand, in thermodynamic product 3b, Cu2I2 dimer units are hindered by bridging ligand 2. That is why network crystal 3b shows only physisorption of I2, even though network has 1D channel similar to 3a.
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Sitienei, Wilson Lelei, Lodrick Makokha Wangatia, Ting Zeng, Bin Sun, and Mei Fang Zhu. "Synthesis and Solution Self-Assembly Behavior of Porphyrin Tethered by Fullerene C60." Advanced Materials Research 668 (March 2013): 696–700. http://dx.doi.org/10.4028/www.scientific.net/amr.668.696.
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This paper focuses on the synthesis, spectroscopic studies and self-assembly behavior of porphyrin phenyl linked fullerene C60 dyad, which included COOH groups in its fullerene unit so as to promote its adsorption onto TiO2. UV-Vis spectrum and steady-state fluorescence spectrum measurement, showed that the self-assembly of this compound in different solvents with different polarities. The results show that the soret absorption peak slightly blue shifted by 5 nm in acetonitrile and 2 nm in tetrahydrofuran, while the soret peaks in toluene solution was the same as in chloroform. Increasing concentration from 1x10-6 mol/L to 2x10-5 mol/L in chloroform resulted into aggregation, also the slight red shifting on cooling from 900C to 100C was observed from a temperature dependant UV-Vis absorption spectra, thus indicates aggregation. All these features may indicate presence of J-type aggregation happening in 4-methylphenyl-H2porhyrin-fullerene C60-COOH. In addition, the fluorescence of 4-methylphenyl-H2Porhyrin-fullerene C60-COOH has been quenched compared to that of pure 4-methylphenyl-H2porhyrin-OH under the same concentration. Therefore, this novel material design may find good application in photoelectric devices.
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Kim, Hye-Ran, Hwan-Young Kim, Trang Nguyen Thi Dai, Il-Kwon Lee, Hyeoung-Joon Kim, Jong-Hee Shin, Soon-Pal Suh, Dong-Wook Ryang, and Myung-Geun Shin. "Development Of Novel Alkylating Chemotherapeutics, Phenyl-Chloroethyl Urea Family, Targeting Mitochondrial Prohibitin For Selective Killing Of Leukemic Cells." Blood 122, no. 21 (November 15, 2013): 1325. http://dx.doi.org/10.1182/blood.v122.21.1325.1325.
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Abstract Background Mitochondrial aberrations have been associated with chronic degenerative diseases, aging and cancer. Mitochondrial proteins are interesting targets for the development of selective anticancer drugs in leukemia and other malignancies. We analyzed mitochondrial proteins to develop novel anti-cancer agents targeting selective leukemic cell, especially acute myelocytic leukemia (AML) cells. Materials and Methods Mitochondria were isolated from primary AML cells and AML cell lines (THP-1 and KG-1) by density-gradient ultracentrifugation using swelling buffer and sucrose buffer. Dysregulated mitochondrial protein were identified using 2-DE and mass spectrometry (MALDI-TOF/TOF technology). For in vivo experiments, AML cell grafts were established in 6-week-old Balb/c mice by subcutaneous injection of 1x107 THP-1 AML cells in the right flank at day 0. Results Out of these deregulated proteins, totally 12 and 20 proteins were observed in up- or down-regulated spots, respectively. Interestingly, prohibitin (gi4505773) was highly expressed in all type of leukemic cells, especially primary AML cells (Fig. 1), which is confirmed by immunoblot and immunofluorecenct methods. Aberrant expressed prohibitin induced growth suppression and repressed E2F-mediated transcription. We synthesized potent chemical substances that can alkylate PHB, two molecules of phenyl-chloroethyl urea family such as cyclohexylphenyl-chloroethyl urea (CCEU) and iodophenyl-chloroethyl urea (ICEU) from the reaction with 2-ethylisocyanate and 4-cyclohexylaniline and 4-iodoaniline, respectively. They were characterized by 1H NMR and 13C NMR. Time and dose dependent manner of proliferation suppression when treated with CCEU and ICEU was observed in primary AML and AML cell lines. Notably morphological transformation of AML cells was observed when treated with 10 - 100 umol of CCEU and ICEU for 24 hours. The half maximal inhibitory concentration (IC50) was 25umol of most AML cell lines. Cell cycle analysis of CCEU-and-ICEU-treated- AML cells showed a remarkable increase of the sub-G1 phase. Immunoblotting experiment revealed the change of cytoplasmic and nucleoplasmic PHB. The increment expression of cleaved caspase3 and poly ADP-ribose polymerases were also observed in AML cell lines. Moreover, CCEU and ICEU selectively killed AML cells in mouse model (Fig. 2). Conclusion This study showed the development of novel alkylating chemotherapeutics, phenyl-chloroethyl urea family (CCEU and ICEU), targeting mitochondrial prohibitin for selective killing of leukemic cells. Selective eradication effects of these novel chemotherapeutics were further confirmed using in vivo mice model. Disclosures: No relevant conflicts of interest to declare.
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Khabiyev, A. T., and B. S. Selenova. "Palladium(II)-catalyzed Suzuki–Miyaura Reactions of Arylboronic Acid with Aryl Halide in the Presence of Aryl-Ferrocenyl-Phosphines." Eurasian Chemico-Technological Journal 16, no. 1 (December 22, 2013): 79. http://dx.doi.org/10.18321/ectj172.
Full textAbstract:
<p>This study examined investigation of catalytic activity of aryl-ferrocenyl-phosphine (2-methoxyphenyl diferrocenyl phosphine (cat. 1), 2-tert-butyloxyphenyl diferrocenyl phosphine (cat. 2), 2-methoxynaphtyl diferrocenyl phosphine (cat. 3), 1,1’-bis(diphenylphosphino) ferrocene (cat. 4), phenyl diferrocenyl phosphine (cat. 5)) ligands with palladium salts as precursors in Suzuki–Miyaura reaction. Suzuki–Miyaura reaction is one of the important cross-coupling reactions and extremely powerful in forming C–C bonds. Aryl-ferrocenyl-phosphine ligands confer unprecedented activity for these processes, allowing reactions to be performed at low catalyst levels, to prepare extreme This study examined investigation of catalytic activity of aryl-ferrocenyl-phosphine (2-methoxyphenyl diferrocenyl phosphine (cat. 1), 2-tert-butyloxyphenyl diferrocenyl phosphine (cat. 2), 2-methoxynaphtyl diferrocenyl phosphine (cat. 3), 1,1’-bis(diphenylphosphino) ferrocene (cat. 4), phenyl diferrocenyl phosphine (cat. 5)) ligands with palladium salts as precursors in Suzuki–Miyaura reaction. Suzuki–Miyaura reaction is one of the important cross-coupling reactions and extremely powerful in forming C–C bonds. Aryl-ferrocenyl-phosphine ligands confer unprecedented activity for these processes, allowing reactions to be performed at low catalyst levels, to prepare extremely hindered biaryls and to be carried out, in general, also for reactions of aryl chlorides by temperature 100 ºC and pressure 1 atm. Sterically demanding and strongly Lewis-basic ferrocene-based phosphines are water- and oxygen-resistant. The Suzuki–Miyaura reaction is also an important reaction in the ground and fine organic synthesis, in the production of drugs and intermediates. To analyze the conversion of halogen aryl compounds the <sup>1</sup>H NMR spectroscopy was used. The advantage of Suzuki–Miyaura reaction in comparison with other cross-coupling reactions (Kumada-, Heck-, Heck-Carbonylation-, Murahashi-, Sonogashira-, Negishi-, Stille-reaktion, etc.) is in the usage of low toxic, water- and oxygen-insensitive thermostable organoboron compounds. As boronic acid was used phenylboronic acid and as weak base – potassium phosphate. Catalyst, precursor and weak base were dissolved in toluene. All reactions were performed under an atmosphere of nitrogen or argon. The catalytic cycle of Suzuki–Miyaura reaction typically includes three main steps: oxidative addition of the haloaromatic to catalytic active palladium (0) species, transmetalation, and reductive elimination of the product under back formation of catalytically active species. All used catalysts showed good activity with aryl bromides and weak activity with aryl chlorides.</p>