Displaying publications 1 - 20 of 33 in total

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  1. Interfacial behavior, gelation and foaming properties of diacylglycerols with different acyl chain lengths and isomer ratios
    Li Z, Ying Lee Y, Wang Y, Qiu C
    Food Chem, 2023 Nov 30;427:136696.
    PMID: 37392626 DOI: 10.1016/j.foodchem.2023.136696
    Diacylglycerols (DAG) of varying chain lengths were synthesized and the acyl migrated samples with different 1,3-DAG/1,2-DAG ratios were obtained. The crystallization profile and surface adsorption differed depending on DAG structure. C12 and C14 DAGs formed small platelet- and needle-like crystals at the oil-air interface which can better reduce surface tension and pack in an ordered lamellar structure in oil. The acyl migrated DAGs with higher ratios of 1,2-DAG showed reduced crystal size and lower oil-air interfacial activity. C14 and C12 DAG oleogels exhibited higher elasticity and whipping ability with crystal shells surrounding bubbles, whereas C16 and C18 DAG oleogels had low elasticity and limited whipping ability due to the formation of aggregated needle-like crystals and loose gel network. Thus, acyl chain length dramatically influences the gelation and foaming behaviors of DAGs whereas the isomers exert little influence. This study provides basis for applying DAG of different structures in food products.
    Matched MeSH terms: Isomerism
  2. Teaching reaction kinetics through isomerization cases with the basis of density-functional calculations
    Rusydi F, Madinah R, Puspitasari I, Mark-Lee WF, Ahmad A, Rusydi A
    Biochem Mol Biol Educ, 2021 03;49(2):216-227.
    PMID: 32897655 DOI: 10.1002/bmb.21433
    The fundamental mechanism of biochemistry lies on the reaction kinetics, which is determined by the reaction pathways. Interestingly, the reaction pathway is a challenging concept for undergraduate students. Experimentally, it is difficult to observe, and theoretically, it requires some degree of physics knowledge, namely statistical and quantum mechanics. However, students can utilize computational methods to study the reaction kinetics without paying too much attention but not wholly neglecting the comprehension of physics. We hereby provided an approach to study the reaction kinetics based on density-functional calculations. We particularized the study of the isomerization case involving five molecules at three different temperatures and emphasized the importance of the transition state in the study of reaction kinetics. The results we presented were in good agreement with the experiments and provided useful insights to assist students in the application of their knowledge into their research.
    Matched MeSH terms: Isomerism
  3. Fulltext Organic cultivation practices enhanced antioxidant activities and secondary metabolites in giant granadilla (Passiflora quadrangularis L.)
    Ramaiya SD, Lee HH, Xiao YJ, Shahbani NS, Zakaria MH, Bujang JS
    PLoS One, 2021;16(7):e0255059.
    PMID: 34310644 DOI: 10.1371/journal.pone.0255059
    Passiflora quadrangularis L. belongs to the family Passifloraceae which bears larger fruit with edible juicy mesocarp and pulp known as a good source of phytochemicals. Cultivation and plant management practices are known to influence the phytochemical compositions of agricultural produce. This study aimed to examine the influence of the cultivation practices on the antioxidant activities and secondary metabolites of the organically and conventionally grown P. quadrangularis. Findings revealed organically treated P. quadrangularis plants showed enhancement in their antioxidant properties and secondary metabolites profiles. Among the plant parts, leaves of P. quadrangularis grown organically possessed higher antioxidant activities compared to the conventional in all assays evaluated. The antioxidant activities in the edible parts of the P. quadrangularis fruit have also been enhanced through organic cultivation with significantly higher total phenolic content and DPPH in mesocarp, and the pulp showed higher total flavonoid content, DPPH and FRAP. This observation is supported by a higher level of vitamins and secondary metabolites in the samples. The secondary metabolites profile showed mesocarps were phenolic rich, the pulps were flavonoids rich while leaves showed good composition of phenolics, flavonoids and terpenoids with outstanding antioxidant activities. The common secondary metabolites for organically produced P. quadrangularis in different plant parts include 2-isopropyl-3-methoxycinnamic acid (mesocarp and pulp), myricetin isomers (pulp and leaves), and malvidin-3-O-arabinoside isomers (pulp and leaves). This study confirmed that organic cultivated P. quadrangularis possessed higher antioxidant activities contributed by its vitamins and secondary metabolites.
    Matched MeSH terms: Isomerism
  4. Two new monofunctional platinum(II) dithiocarbamate complexes: phenanthriplatin-type axial protection, equatorial-axial conformational isomerism, and anticancer and DNA binding studies
    Imran M, Rehman ZU, Hogarth G, Tocher DA, Chaudhry GE, Butler IS, et al.
    Dalton Trans, 2020 Nov 10;49(43):15385-15396.
    PMID: 33140800 DOI: 10.1039/d0dt03018j
    The syntheses of two platinum(ii) dithiocarbamate complexes (1 and 2) that show quinoplatin- and phenanthriplatin-type axial protection of the Pt-plane are described. The Pt-plane of complex 2 is axially more protected than that of complex 1. Furthermore, both complexes adopt two different stereochemical conformations in the solid state (based on single-crystal X-ray structures) owing to the structurally flexible piperazine backbone; i.e., C-e,e-Anti (1) and C-e,a-Syn (2), where "C" stands for the chair configuration, "e" and "a" stand for the equatorial and axial positions and "Anti" (opposite side) and "Syn" (same side) represent the relative orientations in space of the terminal substituents on the piperazine ring. In complex 2, the C-e,a-Syn conformation may provide additional steric hindrance to the Pt-plane. Despite the lower lipophilicity of 2 as compared to that of 1, the in vitro anticancer action against selected cancer cell lines is better for the former revealing the superior role of the axial protection over lipophilicity in modulating anticancer activity. The activity against the cancer promoting protein NF-κB signifies that the mode of cancer cell death may be the result of hindering the activity of NF-κB in the initiation of apoptosis. The apoptotic mode of cell death has been established earlier in a study using Annexin V-FITC. Finally, DNA binding studies revealed that the complex-DNA adduct formation is spontaneous and the mode of interaction is non-intercalative (electrostatic/covalent).
    Matched MeSH terms: Isomerism
  5. Secretion of pro-oncogenic AGR2 protein in cancer
    Moidu NA, A Rahman NS, Syafruddin SE, Low TY, Mohtar MA
    Heliyon, 2020 Sep;6(9):e05000.
    PMID: 33005802 DOI: 10.1016/j.heliyon.2020.e05000
    Anterior gradient-2 (AGR2) protein mediates the formation, breakage and isomerization of disulphide bonds during protein maturation in the endoplasmic reticulum (ER) and contributes to the homoeostasis of the secretory pathway. AGR2 promotes tumour development and metastasis and its elevated expression is almost completely restricted to malignant tumours. Interestingly, this supposedly ER-resident protein can be localised to other compartments of cancer cells and can also be secreted into the extracellular milieu. There are emerging evidences that describe the gain-of-function activities of the extracellular AGR2, particularly in cancer development. Here, we reviewed studies detailing the expression, pathological and physiological roles associated with AGR2 and compared the duality of localization, intracellular and extracellular, with special emphasis on the later. We also discussed the possible mechanisms of AGR2 secretion as well as deliberating the functional impacts of AGR2 in cancer settings. Last, we deliberate the current therapeutic strategies and posit the potential use AGR2, as a prognosis and diagnosis marker in cancer.
    Matched MeSH terms: Isomerism
  6. Linear alkylbenzenes in surface sediments of an estuarine and marine environment in peninsular Malaysia
    Alkhadher SAA, Kadir AA, Zakaria MP, Al-Gheethi A, Keshavarzifard M, Masood N, et al.
    Mar Pollut Bull, 2020 Apr;153:111013.
    PMID: 32275559 DOI: 10.1016/j.marpolbul.2020.111013
    Linear alkylbenzenes were determined in the surface sediments of Muar River and Pulau Merambong, Peninsular Malaysia. The concentrations ranged from 87.4 ng g-1 to 188.1 ng g-1 and from 67.4 ng g-1 to 98.2 ng g-1 of dry weight, respectively. The composition profiles of LABs were characterized, and sewage treatment levels were identified. The ratios of internal to external isomers (I/E ratios) of the linear alkylbenzenes in Muar River sediments ranged from 1.7 to 2.2, whereas those of Pulau Merambong sediments ranged from 1.6 to 1.7. The calculated LAB ratios indicated that the study areas received primary and secondary sewage effluents. The degradation of linear alkylbenzenes in Muar River ranged from 33% to 43%, and that in Pulau Merambong ranged from 33% to 34%. The higher degradation indices in Muar River are a sign of improvement in wastewater treatment.
    Matched MeSH terms: Isomerism
  7. Fulltext Reassessment of the catalytic activity and substrate specificity of fkbp35 from plasmodium knowlesi using protease-free assay
    Cahyo Budiman, Carlmond Goh Kah Wun, Lee, Ping Chin, Rafida Razali, Thean, Chor Leow
    Borneo International Journal of Biotechnology, 2020;1(1):125-143.
    MyJurnal
    FK506-binding protein35 of Plasmodium knowlesi (Pk-FKBP35) is a member of peptidyl prolyl cis-trans isomerase (PPIase) and is considered as a promising avenue of antimalarial drug target development. This protein is organized into the N-terminal domain responsible for PPIase catalytic activity followed and the tetratricopeptide repeat domain for its dimerization. The protease-coupling and protease-free assays are known to be the common methods for investigating the catalytic properties of PPIase. Earlier, the protease-coupling assay was used to confirm the catalytic activity of Pk-FKBP35 in accelerating cis-trans isomerization of the peptide substrate. This report is aimed to re-assess the catalytic and substrate specificity of Pk-FKBP35 using an alternative method of a protease-free assay. The result indicated that while Pk-FKBP35 theoretically contained many possible cleavage sites of chymotrypsin, experimentally, the catalytic domain was relatively stable from chymotrypsin. Furthermore, under protease-free assay, Pk-FKBP35 also demonstrated remarkable PPIase catalytic activity with kcat/KM of 4.5 + 0.13 × 105 M−1 s−1, while the kcat/KM of active site mutant of D55A is 0.81 + 0.05 × 105 M−1 s−1. These values were considered comparable to kcat/KM obtained from the protease-coupling assay. Interestingly, the substrate specificities of Pk-FKBP35 obtained from both methods are also similar, with the preference of Pk-FKBP35 towards Xaa at P1 position was Leu>Phe>Lys>Trp>Val>Ile>His>Asp>Ala>Gln>Glu. Altogether, we proposed that protease-free and protease-coupling assays arereliable for Pk-FKBP35.
    Matched MeSH terms: Isomerism
  8. In Silico Docking of Vitamin E Isomers on Transport Proteins
    Zulkiflee NS, Awang SA, Ming WX, Kamilan MFW, Mariappan MY, Kit TJ
    Curr Comput Aided Drug Des, 2020;16(4):467-472.
    PMID: 31203808 DOI: 10.2174/1573409915666190614113733
    BACKGROUND: Vitamin E is comprised of α, β, γ and δ-tocopherols (Ts) and α, β, γ and δ- tocotrienols (T3s). Vitamin E has neuroprotective antioxidant, anti-cancer, and cholesterol-lowering effects. Intracellular trafficking of these isomers remains largely unknown, except for αT which is selectively transported by αT transfer protein (αTTP).

    OBJECTIVE: This study aimed to determine the binding of vitamin E isomers on transport proteins using in silico docking.

    METHODS: Transport proteins were selected using AmiGo Gene Ontology tool based on the same molecular function annotation as αTTP. Protein structures were obtained from the Protein Data Bank. Ligands structures were obtained from ZINC database. In silico docking was performed using SwissDock.

    RESULTS AND DISCUSSION: A total of 6 transport proteins were found: SEC14-like protein 2, glycolipid transfer protein (GLTP), pleckstrin homology domain-containing family A member 8, collagen type IV alpha-3-binding protein, ceramide-1-phosphate transfer protein and afamin. Compared with other transport proteins, αTTP had the highest affinities for all isomers except βT3. Binding order of vitamin E isomers toward αTTP was γT > βT > αT > δT > αT3 > γT3 > δT3 > βT3. GLTP had a higher affinity for tocotrienols than tocopherols. βT3 bound stronger to GLTP than αTTP.

    CONCLUSION: αTTP remained as the most preferred transport protein for most of the isomers. The binding affinity of αT toward αTTP was not the highest than other isomers suggested that other intracellular trafficking mechanisms of these isomers may exist. GLTP may mediate the intracellular transport of tocotrienols, especially βT3. Improving the bioavailability of these isomers may enhance their beneficial effects to human.

    Matched MeSH terms: Isomerism
  9. A facile water-induced complexation of lycopene and pectin from pink guava byproduct: Extraction, characterization and kinetic studies
    Nagarajan J, Krishnamurthy NP, Nagasundara Ramanan R, Raghunandan ME, Galanakis CM, Ooi CW
    Food Chem, 2019 Oct 30;296:47-55.
    PMID: 31202305 DOI: 10.1016/j.foodchem.2019.05.135
    The redfleshed pulp discarded from pink guava puree industry is a rich source of lycopene and pectin. In this study, we developed a facile extraction process employing water as the primary extraction medium to isolate the lycopene and pectin from pink guava decanter. When the decanter was suspended in water, the complexation of lycopene and pectin formed the cloudy solution, where the colloidal complexes were recovered through centrifugation. The presence of lycopene and pectin in the complex was confirmed by the spectroscopic, microscopic and chromatographic analyses. The lycopene fractionated from the complexes had a purity level of 99% and was in all-trans configuration. The colloidal complexes yielding the highest concentration of lycopene was obtained at pH 7, 1% (w/v) solid loading and 25 °C. The experimental data of time-course extraction of lycopene-pectin complex were best fitted with two-site kinetic model, hinting the fast- and slow-release phases in the extraction process.
    Matched MeSH terms: Isomerism
  10. Biomedical Applications of Aromatic Azo Compounds
    Ali Y, Hamid SA, Rashid U
    Mini Rev Med Chem, 2018;18(18):1548-1558.
    PMID: 29792144 DOI: 10.2174/1389557518666180524113111
    Azo dyes are widely used in textile, fiber, cosmetic, leather, paint and printing industries. Besides their characteristic coloring function, azo compounds are reported as antibacterial, antiviral, antifungal and cytotoxic agents. They have the ability to be used as drug carriers, either by acting as a 'cargo' that entrap therapeutic agents or by prodrug approach. The drug is released by internal or external stimuli in the region of interest, as observed in colon-targeted drug delivery. Besides drug-like and drug carrier properties, a number of azo dyes are used in cellular staining to visualize cellular components and metabolic processes. However, the biological significance of azo compounds, especially in cancer chemotherapy, is still in its infancy. This may be linked to early findings that declared azo compounds as one of the possible causes of cancer and mutagenesis. Currently, researchers are screening the aromatic azo compounds for their potential biomedical use, including cancer diagnosis and therapy. In this review, we highlight the medical applications of azo compounds, particularly related to cancer research. The biomedical significance of cis-trans interchange and negative implications of azo compounds are also discussed in brief.
    Matched MeSH terms: Isomerism
  11. Fulltext Influence of oxalate ligand functionalization on Co/ZSM-5 activity in Fischer Tropsch synthesis and hydrodeoxygenation of oleic acid into hydrocarbon fuels
    Ayodele OB
    Sci Rep, 2017 Aug 30;7(1):10008.
    PMID: 28855545 DOI: 10.1038/s41598-017-09706-z
    Achieving high degree of active metal dispersions at the highest possible metal loading and high reducibility of the metal remains a challenge in Fischer Tropsch synthesis (FTS) as well as in hydrogeoxygenation (HDO).This study therefore reports the influence of oxalic acid (OxA) functionalization on the metal dispersion, reducibility and activity of Co supported ZSM-5 catalyst in FTS and HDO of oleic acid into paraffin biofuel. The Brunauer-Emmett-Teller (BET) results showed that cobalt oxalate supported ZSM-5 catalyst (CoOx/ZSM-5) synthesized from the incorporation of freshly prepared cobalt oxalate complex into ZSM-5 displayed increase in surface area, pore volume and average pore size while the nonfunctionalized cobalt supported on ZSM-5 (Co/ZSM-5) catalyst showed reduction in those properties. Furthermore, both XRD and XPS confirmed the presence of Co° formed from the decomposition of CoOx during calcination of CoOx/ZSM-5 under inert atmosphere. The HRTEM showed that Co species average particle sizes were smaller in CoOx/ZSM-5 than in Co/ZSM-5, and in addition, CoOx/ZSM-5 shows a clear higher degree of active metal dispersion. The FTS result showed that at CO conversion over Co/ZSM-5 and CoOx/ZSM-5 catalysts were 74.28% and 94.23% and their selectivity to C5+ HC production were 63.15% and 75.4%, respectively at 4 h TOS. The HDO result also showed that the CoOx/ZSM-5 has higher OA conversion of 92% compared to 59% over Co/ZSM-5. In addition CoOx/ZSM-5 showed higher HDO and isomerization activities compared to Co/ZSM-5.
    Matched MeSH terms: Isomerism
  12. Fulltext Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis
    Yamamoto T, Tsunematsu Y, Hara K, Suzuki T, Kishimoto S, Kawagishi H, et al.
    Angew Chem Int Ed Engl, 2016 05 17;55(21):6207-10.
    PMID: 27072782 DOI: 10.1002/anie.201600940
    Geometric isomerization can expand the scope of biological activities of natural products. The observed chemical diversity among the pseurotin-type fungal secondary metabolites is in part generated by a trans to cis isomerization of an olefin. In vitro characterizations of pseurotin biosynthetic enzymes revealed that the glutathione S-transferase PsoE requires participation of the bifunctional C-methyltransferase/epoxidase PsoF to complete the trans to cis isomerization of the pathway intermediate presynerazol. The crystal structure of the PsoE/glutathione/presynerazol complex indicated stereospecific glutathione-presynerazol conjugate formation is the principal function of PsoE. Moreover, PsoF was identified to have an additional, unexpected oxidative isomerase activity, thus making it a trifunctional enzyme which is key to the complexity generation in pseurotin biosynthesis. Through the study, we identified a novel mechanism of accomplishing a seemingly simple trans to cis isomerization reaction.
    Matched MeSH terms: Isomerism
  13. Baseline distribution and sources of linear alkyl benzenes (LABs) in surface sediments from Brunei Bay, Brunei
    Alkhadher SAA, Zakaria MP, Yusoff FM, Kannan N, Suratman S, Keshavarzifard M, et al.
    Mar Pollut Bull, 2015 Dec 15;101(1):397-403.
    PMID: 26478457 DOI: 10.1016/j.marpolbul.2015.10.011
    Sewage pollution is one of major concerns of coastal and shoreline settlements in Southeast Asia, especially Brunei. The distribution and sources of LABs as sewage molecular markers were evaluated in surface sediments collected from Brunei Bay. The samples were extracted, fractionated and analyzed using gas chromatography- mass spectrometry (GC-MS). LABs concentrations ranged from 7.1 to 41.3 ng g(-1) dry weight (dw) in surficial sediments from Brunei Bay. The study results showed LABs concentrations variably due to the LABs intensity and anthropogenic influence along Brunei Bay in recent years. The ratio of Internal to External isomers (I/E ratio) of LABs in sediment samples from Brunei Bay ranged from 0.56 to 2.17 along Brunei Bay stations, indicating that the study areas were receiving primary and secondary effluents. This is the first study carried out to assess the distribution and sources of LABs in surface sediments from Brunei Bay, Brunei.
    Matched MeSH terms: Isomerism
  14. Fulltext Crystal structure of 1-{3-(4-methyl-phen-yl)-5-[(E)-2-phenyl-ethen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}ethan-1-one
    Adam F, Smitha K, Charishma SP, Samshuddin S, Ameram N
    Acta Crystallogr E Crystallogr Commun, 2015 Dec 1;71(Pt 12):o1095-6.
    PMID: 26870516 DOI: 10.1107/S2056989015024792
    The title compound, C20H20N2O, was studied as a part of our work on pyrazoline derivatives. It represents a trans-isomer. The central pyrazoline ring adopts an envelope conformation with the asymmetric C atom having the largest deviation of 0.107 (1) Å from the mean plane. It forms dihedral angles of 6.2 (1) and 86.4 (1)° with the adjacent p-tolyl and styrene groups, respectively. In the crystal, C-H⋯O inter-actions link mol-ecules into infinite chains along the c axis.
    Matched MeSH terms: Isomerism
  15. Synthesis, X-ray, NMR, FT-IR, UV/vis, DFT and TD-DFT studies of N-(4-chlorobutanoyl)-N'-(2-, 3- and 4-methylphenyl)thiourea derivatives
    Abosadiya HM, Anouar el H, Hasbullah SA, Yamin BM
    Spectrochim Acta A Mol Biomol Spectrosc, 2015 Jun 5;144:115-24.
    PMID: 25748989 DOI: 10.1016/j.saa.2015.01.092
    A new isomers of thiourea derivatives, namely N-(4-chlorobutanoyl)-N'-(2-methylphenyl)-thiourea (1a), N-(4-chlorobutanoyl)-N'-(3-methylphenyl)thiourea (1b) and N-(4-chlorobutanoyl)-N'-(4-methylphenyl)thiourea (1c) have been synthesized by refluxing mixture of equimolar amounts of 4-chlorobutanoylisothiocyanate with 2, 3 or 4-toluidine, respectively. The three isomers were characterized by spectroscopic (UV/vis, FT-IR and NMR) and X-ray crystallography techniques. To investigate the isomerization effect on spectroscopic data, DFT and TD-DFT calculations have been carried out using five hybrid functionals (B3LYP, B3P86, CAM-B3LYP, M06-2X and PBE0) to predict UV/vis absorption bands (n→π∗ and π→π∗), (1)H and (13)C NMR chemical shifts, FT-IR vibration modes and X-ray parameters (bonds, bond angles and torsion angles) for 1a, 1b and 1c isomers. The results showed that the isomerization effect is significant on λ(MAX) absorption bands, while for IR and NMR the effect is negligible. In accordance with previous studies, B3LYP, B3P86 and PBE0 gave the most reliable to predict the excitation energies of thiourea derivatives.
    Matched MeSH terms: Isomerism
  16. Trans- and cis-urocanic acid, biogenic amine and amino acid contents in ikan pekasam (fermented fish) produced from Javanese carp (Puntius gonionotus) and black tilapia (Oreochromis mossambicus)
    Ezzat MA, Zare D, Karim R, Ghazali HM
    Food Chem, 2015 Apr 1;172:893-9.
    PMID: 25442635 DOI: 10.1016/j.foodchem.2014.09.158
    Ikan pekasam is a fermented fish product produced in Malaysia and is usually made from freshwater fish with ground roasted uncooked rice as the main source of carbohydrate. In this study, the amino acid, biogenic amine, and trans- and cis-urocanic acid (UCA) contents of fifteen commercial samples of Ikan pekasam made from Javanese carp and black tilapia, that had undergone either natural or acid-assisted fermentation, were quantified. The latter includes either tamarind (Tamarindus indica) pulp or dried slices of Garcinia atroviridis fruit in the fermentation process. Results showed that there are no significant differences in most of the biogenic amines including histamine, while there are significant differences in total UCA content, and trans- and cis-UCA contents between the two samples. Differences in the amino acid contents were largely fish-dependent.
    Matched MeSH terms: Isomerism
  17. New para-substituted non-symmetric isoflavones for their fast photo-switching ability: synthesis and their liquid crystal characterization
    Yuvaraj AR, Yam WS, Chan TN, Goh YP, Hegde G
    Spectrochim Acta A Mol Biomol Spectrosc, 2015 Jan 25;135:1115-22.
    PMID: 25173529 DOI: 10.1016/j.saa.2014.08.009
    The first example of non-symmetric isoflavone-based fast photo-switchable liquid crystals with different functional groups at the terminal position were synthesized and characterized. Polarizing optical microscopy study revealed that the compounds showed least ordered nematic phase. Optical photo switching study exhibited very fast photoisomerization effect in solution. The E-Z and Z-E conversion occurred around 3-5s and 40-700 s respectively. This is also the first example of para-substituted non-symmetric isoflavone liquid crystals exhibiting very fast photo switching property in solution. Argument based on non-symmetrical behaviour might be the reason for the observed behaviour.
    Matched MeSH terms: Isomerism
  18. Synthesis, molecular structure, FT-IR, Raman, XRD and theoretical investigations of (2E)-1-(5-chlorothiophen-2-yl)-3-(naphthalen-2-yl)prop-2-en-1-one
    Chidan Kumar CS, Fun HK, Parlak C, Rhyman L, Ramasami P, Tursun M, et al.
    Spectrochim Acta A Mol Biomol Spectrosc, 2014 Nov 11;132:174-82.
    PMID: 24858359 DOI: 10.1016/j.saa.2014.04.155
    A novel (2E)-1-(5-chlorothiophen-2-yl)-3-(naphthalen-2-yl)prop-2-en-1-one [C17H11ClOS] compound has been synthesized and its structure has been characterized by FT-IR, Raman and single-crystal X-ray diffraction techniques. The isomers, optimized geometrical parameters, normal mode frequencies and corresponding vibrational assignments of the compound have been examined by means of the density functional theory method, employing, the Becke-3-Lee-Yang-Parr functional and the 6-311+G(3df,p) basis set. Reliable vibrational assignments and molecular orbitals have been investigated by the potential energy distribution and natural bonding orbital analyses, respectively. The compound crystallizes in the monoclinic space group P2₁/c with the unit cell parameters a=5.7827(8)Å, b=14.590(2)Å, c=16.138(2)Å and β=89.987 (°). The CC bond of the central enone group adopts an E configuration. There is a good agreement between the theoretically predicted structural parameters and vibrational frequencies and those obtained experimentally.
    Matched MeSH terms: Isomerism
  19. Heterometallic Pd(II)-Ni(II) complexes with meso-substituted dibenzotetraaza[14]annulene: double C-H bond activation and formation of a rectangular tetradibenzotetraaza[14]annulene
    Khaledi H, Olmstead MM, Fukuda T, Ali HM
    Inorg Chem, 2014 Nov 3;53(21):11348-50.
    PMID: 25320842 DOI: 10.1021/ic5019828
    Three isomeric 2[Pd(II)-Ni(II)] metal complexes, derived from indoleninyl meso-substituted dibenzotetraaza[14]annulene, were synthesized. The resulting dimers feature Ni···Ni or, alternatively, Ni···π interactions in staggered or slipped cofacial structures. A remarkable insertion of palladium into two different C-H bonds yielded a 4[Pd(II)-Ni(II)] rectangular complex with dimensions of 8.73 × 10.38 Å.
    Matched MeSH terms: Isomerism
  20. Fulltext Cytotoxicity and apoptotic activities of alpha-, gamma- and delta-tocotrienol isomers on human cancer cells
    Lim SW, Loh HS, Ting KN, Bradshaw TD, Zeenathul NA
    BMC Complement Altern Med, 2014;14:469.
    PMID: 25480449 DOI: 10.1186/1472-6882-14-469
    Tocotrienols, especially the gamma isomer was discovered to possess cytotoxic effects associated with the induction of apoptosis in numerous cancers. Individual tocotrienol isomers are believed to induce dissimilar apoptotic mechanisms in different cancer types. This study was aimed to compare the cytotoxic potency of alpha-, gamma- and delta-tocotrienols, and to explore their resultant apoptotic mechanisms in human lung adenocarcinoma A549 and glioblastoma U87MG cells which are scarcely researched.
    Matched MeSH terms: Isomerism
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