Displaying publications 1 - 20 of 89 in total

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  1. Fulltext (E)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluoro-phen-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis
    Abdullah AA, Hassan NH, Arshad S, Khalib NC, Razak IA
    Acta Crystallogr E Crystallogr Commun, 2016 May 1;72(Pt 5):648-51.
    PMID: 27308010 DOI: 10.1107/S2056989016005028
    In the title compound, C23H14ClFO, the enone moiety adopts an E conformation. The dihedral angle between the benzene and anthracene ring is 63.42 (8)° and an intra-molecular C-H⋯F hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are arranged into centrosymmetric dimers via pairs of C-H⋯F hydrogen bonds. The crystal structure also features C-H⋯π and π-π inter-actions. Hirshfeld surface analysis was used to confirm the existence of inter-molecular inter-actions.
    Matched MeSH terms: Benzene
  2. Fulltext (μ2-Adipato-κ4O,O':O'',O''')bis-[aqua-(benzene-1,2-di-amine-κ2N,N')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis
    Rahman WSKA, Ahmad J, Halim SNA, Jotani MM, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2017 Sep 01;73(Pt 9):1363-1367.
    PMID: 28932475 DOI: 10.1107/S2056989017011677
    The full mol-ecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2-CH2 bond of the adipate dianion; the latter chelates a CdII atom at each end. Along with two carboxyl-ate-O atoms, the CdII ion is coordinated by the two N atoms of the chelating benzene-1,2-di-amine ligand, a Cl- anion and an aqua ligand to define a distorted octa-hedral CdClN2O3 coordination geometry with the monodentate ligands being mutually cis. The disparity in the Cd-N bond lengths is related to the relative trans effect exerted by the Cd-O bonds formed by the carboxyl-ate-O and aqua-O atoms. The packing features water-O-H⋯O(carboxyl-ate) and benzene-1,2-di-amine-N-H⋯Cl hydrogen bonds, leading to layers that stack along the a-axis direction. The lack of directional inter-actions between the layers is confirmed by a Hirshfeld surface analysis.
    Matched MeSH terms: Benzene
  3. 1-Chloro-4-[2-(4-chloro-phen-yl)eth-yl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry
    Jotani MM, Lee SM, Lo KM, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2019 May 01;75(Pt 5):624-631.
    PMID: 31110800 DOI: 10.1107/S2056989019004742
    The crystal and mol-ecular structures of C14H12Cl2, (I), and C14H12Br2, (II), are described. The asymmetric unit of (I) comprises two independent mol-ecules, A and B, each disposed about a centre of inversion. Each mol-ecule approximates mirror symmetry [the Cb-Cb-Ce-Ce torsion angles = -83.46 (19) and 95.17 (17)° for A, and -83.7 (2) and 94.75 (19)° for B; b = benzene and e = ethyl-ene]. By contrast, the mol-ecule in (II) is twisted, as seen in the dihedral angle of 59.29 (11)° between the benzene rings cf. 0° in (I). The mol-ecular packing of (I) features benzene-C-H⋯π(benzene) and Cl⋯Cl contacts that lead to an open three-dimensional (3D) architecture that enables twofold 3D-3D inter-penetration. The presence of benzene-C-H⋯π(benzene) and Br⋯Br contacts in the crystal of (II) consolidate the 3D architecture. The analysis of the calculated Hirshfeld surfaces confirm the influence of the benzene-C-H⋯π(benzene) and X⋯X contacts on the mol-ecular packing and show that, to a first approximation, H⋯H, C⋯H/H⋯C and C⋯X/X⋯C contacts dominate the packing, each contributing about 30% to the overall surface in each of (I) and (II). The analysis also clearly differentiates between the A and B mol-ecules of (I).
    Matched MeSH terms: Benzene
  4. Fulltext 2-[(4-Chloro-phen-yl)selan-yl]-3,4-di-hydro-2H-benzo[h]chromene-5,6-dione: crystal structure and Hirshfeld analysis
    Zukerman-Schpector J, Prado KE, Name LL, Cella R, Jotani MM, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2017 Jun 01;73(Pt 6):918-924.
    PMID: 28638659 DOI: 10.1107/S2056989017007605
    The title organoselenium compound, C19H13ClO3Se {systematic name: 2-[(4-chloro-phen-yl)selan-yl]-2H,3H,4H,5H,6H-naphtho-[1,2-b]pyran-5,6-dione}, has the substituted 2-pyranyl ring in a half-chair conformation with the methyl-ene-C atom bound to the methine-C atom being the flap atom. The dihedral angle between the two aromatic regions of the mol-ecule is 9.96 (9)° and indicates a step-like conformation. An intra-molecular Se⋯O inter-action of 2.8122 (13) Å is noted. In the crystal, π-π contacts between naphthyl rings [inter-centroid distance = 3.7213 (12) Å] and between naphthyl and chloro-benzene rings [inter-centroid distance = 3.7715 (13) Å], along with C-Cl⋯π(chloro-benzene) contacts, lead to supra-molecular layers parallel to the ab plane, which are connected into a three-dimensional architecture via methyl-ene-C-H⋯O(carbon-yl) inter-actions. The contributions of these and other weak contacts to the Hirshfeld surface is described.
    Matched MeSH terms: Benzene
  5. Fulltext A 1:1:1 co-crystal solvate comprising 2,2'-di-thiodi-benzoic acid, 2-chloro-benzoic acid and N,N-di-methyl-formamide: crystal structure, Hirshfeld surface analysis and computational study
    Tan SL, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2019 Apr 01;75(Pt 4):475-481.
    PMID: 31161060 DOI: 10.1107/S205698901900375X
    The asymmetric unit of the three-component title compound, 2,2'-di-thiodi-benzoic acid-2-chloro-benzoic acid-N,N-di-methyl-formamide (1/1/1), C14H10O4S2·C7H5ClO2·C3H7NO, contains a mol-ecule each of 2,2'-di-thiodi-benzoic acid (DTBA), 2-chloro-benzoic acid (2CBA) and di-methyl-formamide (DMF). The DTBA mol-ecule is twisted [the C-S-S-C torsion angle is 88.37 (17)°] and each carb-oxy-lic group is slightly twisted from the benzene ring to which it is connected [CO2/C6 dihedral angles = 7.6 (3) and 12.5 (3)°]. A small twist is evident in the mol-ecule of 2CBA [CO2/C6 dihedral angle = 4.4 (4)°]. In the crystal, the three mol-ecules are connected by hydrogen bonds with the two carb-oxy-lic acid residues derived from DTBA and 2CBA forming a non-symmetric eight-membered {⋯HOCO}2 synthon, and the second carb-oxy-lic acid of DTBA linked to the DMF mol-ecule via a seven-membered {⋯HOCO⋯HCO} heterosynthon. The three-mol-ecule aggregates are connected into a supra-molecular chain along the a axis via DTBA-C-H⋯O(hydroxyl-2CBA), 2CBA-C-H⋯O(hydroxyl-DTBA) and DTBA-C-H⋯S(DTBA) inter-actions. Supra-molecular layers in the ab plane are formed as the chains are linked via DMF-C-H⋯S(DTBA) contacts, and these inter-digitate along the c-axis direction without specific points of contact between them. A Hirshfeld surface analysis points to additional but, weak contacts to stabilize the three-dimensional architecture: DTBA-C=O⋯H(phenyl-DTBA), 2CBA-Cl⋯H(phenyl-DTBA), as well as a π-π contact between the delocalized eight-membered {⋯HOC=O}2 carb-oxy-lic dimer and the phenyl ring of 2CBA. The latter was confirmed by electrostatic potential (ESP) mapping.
    Matched MeSH terms: Benzene
  6. Fulltext A 1:2 co-crystal of 2,2'-di-thiodi-benzoic acid and benzoic acid: crystal structure, Hirshfeld surface analysis and computational study
    Tan SL, Tiekink ERT
    Acta Crystallogr E Crystallogr Commun, 2019 Jan 01;75(Pt 1):1-7.
    PMID: 30713723 DOI: 10.1107/S2056989018017097
    The asymmetric unit of the title 1:2 co-crystal, C14H10O4S2·2C7H6O2, comprises half a mol-ecule of di-thiodi-benzoic acid [systematic name: 2-[(2-carb-oxy-phen-yl)disulfan-yl]benzoic acid, DTBA], as the mol-ecule is located about a twofold axis of symmetry, and a mol-ecule of benzoic acid (BA). The DTBA mol-ecule is twisted about the di-sulfide bond [the C-S-S-C torsion angle is -83.19 (8)°] resulting in a near perpendicular relationship between the benzene rings [dihedral angle = 71.19 (4)°]. The carb-oxy-lic acid group is almost co-planar with the benzene ring to which it is bonded [dihedral angle = 4.82 (12)°]. A similar near co-planar relationship pertains for the BA mol-ecule [dihedral angle = 3.65 (15)°]. Three-mol-ecule aggregates are formed in the crystal whereby two BA mol-ecules are connected to a DTBA mol-ecule via hy-droxy-O-H⋯O(hydroxy) hydrogen bonds and eight-membered {⋯HOC=O}2 synthons. These are connected into a supra-molecular layer in the ab plane through C-H⋯O inter-actions. The inter-actions between layers to consolidate the three-dimensional architecture are π-π stacking inter-actions between DTBA and BA rings [inter-centroid separation = 3.8093 (10) Å] and parallel DTBA-hy-droxy-O⋯π(BA) contacts [O⋯ring centroid separation = 3.9049 (14) Å]. The importance of the specified inter-actions as well as other weaker contacts, e.g. π-π and C-H⋯S, are indicated in the analysis of the calculated Hirshfeld surface and inter-action energies.
    Matched MeSH terms: Benzene
  7. Fulltext A 2:1 co-crystal of 2-methyl-benzoic acid and N,N'-bis-(pyridin-4-ylmeth-yl)ethanedi-amide: crystal structure and Hirshfeld surface analysis
    Syed S, Jotani MM, Halim SN, Tiekink ER
    Acta Crystallogr E Crystallogr Commun, 2016 Mar 1;72(Pt 3):391-8.
    PMID: 27006815 DOI: 10.1107/S2056989016002735
    The asymmetric unit of the title 2:1 co-crystal, 2C8H8O2·C14H14N4O2, comprises an acid mol-ecule in a general position and half a di-amide mol-ecule, the latter being located about a centre of inversion. In the acid, the carb-oxy-lic acid group is twisted out of the plane of the benzene ring to which it is attached [dihedral angle = 28.51 (8)°] and the carbonyl O atom and methyl group lie approximately to the same side of the mol-ecule [hy-droxy-O-C-C-C(H) torsion angle = -27.92 (17)°]. In the di-amide, the central C4N2O2 core is almost planar (r.m.s. deviation = 0.031 Å), and the pyridyl rings are perpendicular, lying to either side of the central plane [central residue/pyridyl dihedral angle = 88.60 (5)°]. In the mol-ecular packing, three-mol-ecule aggregates are formed via hy-droxy-O-H⋯N(pyrid-yl) hydrogen bonds. These are connected into a supra-molecular layer parallel to (12[Formula: see text]) via amide-N-H⋯O(carbon-yl) hydrogen bonds, as well as methyl-ene-C-H⋯O(amide) inter-actions. Significant π-π inter-actions occur between benzene/benzene, pyrid-yl/benzene and pyrid-yl/pyridyl rings within and between layers to consolidate the three-dimensional packing.
    Matched MeSH terms: Benzene
  8. Fulltext A case study: Chemical health risk assessment in three footwear small industries in Bogor-Indonesia year 2019
    Savira YM, Tejamaya M, Putri AA
    Gac Sanit, 2021 12 22;35 Suppl 2:S374-S378.
    PMID: 34929854 DOI: 10.1016/j.gaceta.2021.10.054
    OBJECTIVE: This study aimed to analyse the health risks related to the use of chemicals among workers in small footwear factories.

    METHODS: This was a descriptive case study conducted in three selected small footwear factories located in Ciomas, Bogor, Indonesia. The assessment was conducted using the chemical health risk assessment method by the Department of Safety and Health Malaysia Year 2018.

    RESULTS: Results showed that the level of risk of chemicals through inhalation fell on the moderate and high-risk categories, indicating that high exposure could lead to carcinogenic effects. Dermal exposure was categorised as moderate risk, causing such health effects as skin and eye irritation.

    CONCLUSION: Factory X, Y, and Z have been found to have a significant risk of hazardous chemical exposure (i.e., benzene and toluene), specifically at the glueing stations, either from inhalation or dermal contact.

    Matched MeSH terms: Benzene/analysis
  9. A highly emissive and stable zinc(ii) metal-organic framework as a host-guest chemopalette for approaching white-light-emission
    Cai H, Xu LL, Lai HY, Liu JY, Ng SW, Li D
    Chem Commun (Camb), 2017 Jun 27.
    PMID: 28654101 DOI: 10.1039/c7cc03350h
    A new adenine-containing metal-organic framework (MOF), [Zn4O(adenine)4(benzene-1,3-dicarboxylate)4Zn2] (named as ZnBDCA), was synthesized solvothermally. ZnBDCA possesses high quantum yield (>50%) and nano-channels that can encapsulate acriflavine molecules to build a host-guest chemopalette for approaching white-light emission.
    Matched MeSH terms: Benzene
  10. Fulltext Advancement in Benthic Microbial Fuel Cells toward Sustainable Bioremediation and Renewable Energy Production
    Umar MF, Rafatullah M, Abbas SZ, Mohamad Ibrahim MN, Ismail N
    Int J Environ Res Public Health, 2021 Apr 06;18(7).
    PMID: 33917378 DOI: 10.3390/ijerph18073811
    Anthropogenic activities are largely responsible for the vast amounts of pollutants such as polycyclic aromatic hydrocarbons, cyanides, phenols, metal derivatives, sulphides, and other chemicals in wastewater. The excess benzene, toluene and xylene (BTX) can cause severe toxicity to living organisms in wastewater. A novel approach to mitigate this problem is the benthic microbial fuel cell (BMFC) setup to produce renewable energy and bio-remediate wastewater aromatic hydrocarbons. Several mechanisms of electrogens have been utilized for the bioremediation of BTX through BMFCs. In the future, BMFCs may be significant for chemical and petrochemical industry wastewater treatment. The distinct factors are considered to evaluate the performance of BMFCs, such as pollutant removal efficiency, power density, and current density, which are discussed by using operating parameters such as, pH, temperature and internal resistance. To further upgrade the BMFC technology, this review summarizes prototype electrode materials, the bioremediation of BTX, and their applications.
    Matched MeSH terms: Benzene
  11. Alkylbenzenes in mussels from South and South East Asian coasts as a molecular tool to assess sewage impact
    Tsutsumi S, Yamaguchi Y, Nishida I, Akiyama K, Zakaria MP, Takada H
    Mar Pollut Bull, 2002;45(1-12):325-31.
    PMID: 12398403
    Alkylbenzenes, molecular markers of sewage, were measured in 34 green mussels collected from India, Indonesia, Malaysia, Thailand, Cambodia, Vietnam, and the Philippines together with blue mussels collected from Tokyo Bay, Japan. Linear alkylbenzene (LAB) concentrations in South and South East Asian countries ranged from 10 to 1,640 ng-sigmaLAB/g-dry tissue. In some populous cities, LAB concentrations were similar or higher than those found in northern Tokyo Bay which is heavily impacted by sewage effluents. I/E ratios (a ratio of internal to external isomers of LABs) in the South and South East Asian countries (1-3) were much lower than those in Tokyo Bay (3-8), indicating sewage discharged in the coastal zone is poorly treated (e.g., raw sewage and/or primary effluents). Alkylbenzenes with branched alkyl chains, tetrapropylene-based alkylbenzenes, were also detected in mussels from Indonesia and Philippines. This "tell-tale" sign indicates that poorly degradable detergents are still in use in this area, although they have long been phased-out in many industrialized countries.
    Matched MeSH terms: Benzene Derivatives/analysis*; Benzene Derivatives/pharmacokinetics
  12. Fulltext Analysis of self-renewing and differentiation-related microRNAs and transcription factors in multilineage mouse hematopoietic stem/progenitor cells induced by 1,4-benzoquinone
    Dewi R, Yusoff NA, Abdul Razak SR, Abd Hamid Z
    PeerJ, 2023;11:e15608.
    PMID: 37456886 DOI: 10.7717/peerj.15608
    BACKGROUND: HSPCs are targets for benzene-induced hematotoxicity and leukemogenesis. However, benzene toxicity targeting microRNAs (miRNAs) and transcription factors (TF) that are involve in regulating self-renewing and differentiation of HSPCs comprising of different hematopoietic lineages remains poorly understood. In this study, the effect of a benzene metabolite, 1,4-benzoquinone (1,4-BQ) exposure, in HSPCs focusing on the self-renewing (miRNAs: miR-196b and miR-29a; TF: HoxB4, Bmi-1) and differentiation (miRNAs: miR-181a, TF: GATA3) pathways were investigated.

    METHODS: Freshly isolated mouse BM cells were initially exposed to 1,4-BQ at 1.25 to 5 µM for 24 h, followed by miRNAs and TF studies in BM cells. Then, the miRNAs expression was further evaluated in HSPCs of different lineages comprised of myeloid, erythroid and pre-B lymphoid progenitors following 7-14 days of colony forming unit (CFU) assay.

    RESULTS: Exposure to 1,4-BQ in BM cells significantly (p 

    Matched MeSH terms: Benzene/toxicity
  13. Fulltext Anti-proliferation effects of benzimidazole analogues on gastric cancer: structure analysis relationship
    Wan Mohd Ikhtiaruddin, Abdah Md Akim, Hasiah Ab Hamid, Norhaizan Mohd Esa, Norizan Ahmat
    Malaysian Journal of Medicine and Health Sciences, 2019;15(108):50-50.
    MyJurnal
    Introduction: Benzimidazole analogues are bicyclic compounds that had been synthesized comprising the fusion of benzene and imidazole. It gains interest in research as it poses numerous therapeutic potential such as anti-ulcer, anti-malarial, anti-helminthic, anti-fungal, anti-inflammatory, and anti-cancer. Hence, this work aims to screen novel benzimidazole analogues using MTT assay for potential anti-proliferation activities on gastric cancer, which is the second cause of cancer-related death. Methods: MTT assay was conducted following standard protocol on HGT-1 gastric cancer cells. Cells were seeded and allowed to attach overnight before being introduced with various con-centration of benzimidazole analogues up to 72 hours and the optical density of the MTT was recorded using 560 nm wavelength. Two-Way ANOVA was used to analyse all data, followed by post-hoc Tukey test and the structure analysis relationship was analysed using MTT result. Results: From five analogues, only compound 4 showed an-ti-proliferation activity with IC50 8.212 ± 0.813 μM at 72 hours. Compound 4 had hydroxyl group at ortho- and para- position and remarkably, compound 2 which contained the hydroxyl group at ortho- and meta- position together with compound 5 which contained the combination of meta- and para- induced proliferation on gastric cancer. Conclusion: Different position of hydroxyl group on the benzene ring gives different activities on gastric cancer and from the experiment, only compound 4 had the anti-proliferative activity.
    Matched MeSH terms: Benzene
  14. Application of response surface methodology for the optimization of polycyclic aromatic hydrocarbons degradation from potable water using photo-Fenton oxidation process
    Abd Manan TSB, Khan T, Sivapalan S, Jusoh H, Sapari N, Sarwono A, et al.
    Sci Total Environ, 2019 May 15;665:196-212.
    PMID: 30772550 DOI: 10.1016/j.scitotenv.2019.02.060
    Polycyclic aromatic hydrocarbons (PAHs) are carcinogenic compounds, composed of benzene rings. The objective of this research was to identify the optimum condition for the degradation of PAHs contaminated water using photo-Fenton oxidation process via response surface methodology (RSM). Aqueous solution was prepared and potable water samples were collected from water treatment plants in Perak Tengah, Perak, Malaysia in September 2016. The reaction time, pH, molarity of H2O2 and FeSO4 were analyzed followed by RSM using aqueous solution. A five level central composite design with quadratic model was used to evaluate the effects and interactions of these parameters. The response variable was the percentage of total organic carbon (TOC) removal. PAHs quantification was done using gas chromatography mass spectrometry analysis. The regression line fitted well with the data with R2 value of 0.9757. The lack of fit test gives the highest value of Sum of Squares (15,666.64) with probability F value 0.0001 showing significant quadratic model. The optimum conditions were established corresponding to the percentage of TOC removal. The PAHs removal efficiency for potable water samples ranged from 76.4% to 91% following the first order of kinetic rates with R2 values of >0.95. Conventional water treatment techniques are not effective for PAHs removal. Thus, advanced oxidation processes may be considered as an alternative to conventional water treatment techniques in Malaysia and other developing countries.
    Matched MeSH terms: Benzene
  15. Fulltext Appraisal of groundwater contamination from surface spills of fluids associated with hydraulic fracturing operations
    Dakheel Almaliki AJ, Bashir MJK, Llamas Borrajo JF
    Sci Total Environ, 2022 Apr 01;815:152949.
    PMID: 35007588 DOI: 10.1016/j.scitotenv.2022.152949
    Contaminated groundwater is a priority issue on the environmental agendas of developed countries. Therefore, there is an obvious need to develop instruments and decision-making mechanisms that allow the estimation of the risk to human health due to the presence of contaminants in soils and groundwater, in a fast and reliable manner. Thus, this study aims to assess whether the spilling of hydraulic fracturing fluids prior to injection has a potential risk to groundwater quality in the Kern County Sub-basin, California, by identifying the hydrological factors and solute transport characteristics that control these risks while taking into consideration the temperature rises due to climate change. The approach uses the concept of the groundwater pollution risk based on comparing the concentration of pollutants within the water table by using a predetermined permissible level. The current average annual temperature and that by the end of the 21st century was used to estimate the diffusion of benzene through three types of soil by using HYDRUS-1D software. The software was used to predict the contaminant concentration profile of benzene in the water table with special reference to the impact of surface temperatures. The results showed that an expected rise of the surface temperature by 4.3 °C led to an increase in the concentration of benzene by 2.3 μg/l in sandy loam soil, 6.8 μg/l in silt loam soil, and finally, 2.6 μg/l in loam soil. The results show that climate change can substantially affect soil properties and their chemical constituents, which then play a major role in absorbing pollutants.
    Matched MeSH terms: Benzene
  16. Fulltext Assessing biomarkers on exposure, effects and susceptibility for environmental and occupational exposure of various range of benzene
    Noor Fatihah MF, Suhaili A, Juliana J
    Malaysian Journal of Public Health Medicine, 2017;17 Special(1):7-18.
    Background: Benzene is primarily routed by inhalation which highly sensitive to blood parameters as bone marrow is their target organ. The ability of benzene even in low exposure levels may induce human bone marrow suppression resulting in blood diseases such as leukopenia, anemia, thrombocytopenia, aplastic anemia, and pancytopenia. In the occupational setting, the most common benzene-exposed workers are from the petrochemical industries and petrol distribution such as gasoline pumps. Benzene also generated primarily by mobile exhaust and some from various of anthropogenic sources at environmental atmosphere and occupationally exposed in the policemen traffic, taxi and bus drivers, and street vendors in long-length time with low concentration exposure. Methodology: This paper reviewed published articles on biomarkers exposure, effects and susceptibility as the useful tools for benzene exposure assessment in the occupational and environmental setting. Data from previous epidemiological studies relevant to benzene exposure in various occupational and environmental setting is also summarized. Results: Based on these analyses, the findings agreed that these biomarkers are could suggest in linking the benzene exposure with possible adverse health effects. The biological monitoring used in epidemiological studies is useful in providing an understanding of activation and detoxification of benzene in both the occupational and general population as they are exposed to wide range of benzene concentration. Conclusion. The biomarkers of exposure, effects, and susceptibility utilized for benzene exposure assessment are valid tools in determining the greatest potential risk as well as an early biological effect which then caused a related specific disease.
    Matched MeSH terms: Benzene
  17. Assessment of gas chromatography time-of-flight accurate mass spectrometry for identification of volatile and semi-volatile compounds in honey
    Moniruzzaman M, Rodríguez I, Ramil M, Cela R, Sulaiman SA, Gan SH
    Talanta, 2014 Nov;129:505-15.
    PMID: 25127626 DOI: 10.1016/j.talanta.2014.06.019
    The performance of gas chromatography (GC) combined with a hybrid quadrupole time-of-flight (QTOF) mass spectrometry (MS) system for the determination of volatile and semi-volatile compounds in honey samples is evaluated. After headspace (HS) solid-phase microextraction (SPME) of samples, the accurate mass capabilities of the above system were evaluated for compounds identification. Accurate scan electron impact (EI) MS spectra allowed discriminating compounds displaying the same nominal masses, but having different empirical formulae. Moreover, the use of a mass window with a width of 0.005 Da provided highly specific chromatograms for selected ions, avoiding the contribution of interferences to their peak areas. Additional information derived from positive chemical ionization (PCI) MS spectra and ion product scan MS/MS spectra permitted confirming the identity of novel compounds. The above possibilities are illustrated with examples of honey aroma compounds, belonging to different chemical classes and containing different elements in their molecules. Examples of compounds whose structures could not be described are also provided. Overall, 84 compounds, from a total of 89 species, could be identified in 19 honey samples from 3 different geographic areas in the world. The suitability of responses measured for selected ions, corresponding to above species, for authentication purposes is assessed through principal components analysis.
    Matched MeSH terms: Benzene/chemistry
  18. BTEX compositions and its potential health impacts in Malaysia
    Latif MT, Abd Hamid HH, Ahamad F, Khan MF, Mohd Nadzir MS, Othman M, et al.
    Chemosphere, 2019 Dec;237:124451.
    PMID: 31394440 DOI: 10.1016/j.chemosphere.2019.124451
    This study aims to determine the composition of BTEX (benzene, toluene, ethylbenzene and xylene) and assess the risk to health at different sites in Malaysia. Continuous monitoring of BTEX in Kuala Lumpur City Centre, Kuala Terengganu, Kota Kinabalu and Fraser Hill were conducted using Online Gas Chromatograph. For comparison, BTEX at selected hotspot locations were determined by active sampling method using sorbent tubes and Thermal Desorption Gas Chromatography Mass Spectrometry. The hazard quotient (HQ) for non-carcinogenic and the life-time cancer risk (LTCR) of BTEX were calculated using the United States Environmental Protection Agency (USEPA) health risk assessment (HRA) methods. The results showed that the highest total BTEX concentrations using continuous monitoring were recorded in the Kuala Lumpur City Centre (49.56 ± 23.71 μg/m3). Toluene was the most dominant among the BTEX compounds. The average concentrations of benzene ranged from 0.69 ± 0.45 μg/m3 to 6.20 ± 3.51 μg/m3. Measurements using active sampling showed that BTEX concentrations dominated at the roadside (193.11 ± 114.57 μg/m3) in comparison to petrol station (73.08 ± 30.41 μg/m3), petrochemical industry (32.10 ± 13.13 μg/m3) and airport (25.30 ± 6.17 μg/m3). Strong correlations among BTEX compounds (p<0.01, r>0.7) at Kuala Lumpur City Centre showed that BTEX compounds originated from similar sources. The values of HQ at all stations were <1 indicating the non-carcinogenic risk are negligible and do not pose threats to human health. The LTCR value based on benzene inhalation (1.59 × 10-5) at Kuala Lumpur City Centre were between 1 × 10-4 and 1 × 10-5, representing a probable carcinogenic risk.
    Matched MeSH terms: Benzene/analysis*; Benzene/toxicity; Benzene Derivatives/analysis*; Benzene Derivatives/toxicity
  19. 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: Benzene Derivatives/analysis*; Benzene Derivatives/chemistry
  20. Catalytic thermolysis in treating Cibacron Blue in aqueous solution: Kinetics and degradation pathway
    Su CX, Teng TT, Wong YS, Morad N, Rafatullah M
    Chemosphere, 2016 Mar;146:503-10.
    PMID: 26741557 DOI: 10.1016/j.chemosphere.2015.12.048
    A thermal degradation pathway of the decolourisation of Reactive Cibacron Blue F3GA (RCB) in aqueous solution through catalytic thermolysis is established. Catalytic thermolysis is suitable for the removal of dyes from wastewater as it breaks down the complex dye molecules instead of only transferring them into another phase. RCB is a reactive dye that consists of three main groups, namely anthraquinone, benzene and triazine groups. Through catalytic thermolysis, the bonds that hold the three groups together were effectively broken and at the same time, the complex molecules degraded to form simple molecules of lower molecular weight. The degradation pathway and products were characterized and determined through UV-Vis, FT-IR and GCMS analysis. RCB dye molecule was successfully broken down into simpler molecules, namely, benzene derivatives, amines and triazine. The addition of copper sulphate, CuSO4, as a catalyst, hastens the thermal degradation of RCB by aiding in the breakdown of large, complex molecules. At pH 2 and catalyst mass loading of 5 g/L, an optimum colour removal of 66.14% was observed. The degradation rate of RCB is well explained by first order kinetics model.
    Matched MeSH terms: Benzene Derivatives/analysis
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