Adibah Izzati Daud
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Preferred name
Adibah Izzati Daud
Official Name
Adibah Izzati, Daud
Alternative Name
Daud, Adibah Izzati
Main Affiliation
Scopus Author ID
55764818200
Researcher ID
O-5684-2016

Research Output

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  • Publication
    Cyano substituted acetylide-thiourea as d-Ï€-a semiconductor material for CO2 sensing
    ( 2017-09-26)
    Adibah Izzati Daud
    ;
    Wan Mohd Khairul Wan Mohamed Zin
    ;
    Khairul Anuar Abd Wahid
    Hybrid molecular system of acetylide and thiourea generally provide a wide range of electronic properties as they exhibit electronic delocalization in extended like-rod rigid π-orbital molecular system in their designated molecular framework. In this occasion, a new member of 4-methylbenzoyl-3-(4-ethynylbenzonitrile-phenyl)-thiourea (MeCNTh) was successfully designed, synthesised, and characterised for semiconductor properties and interest. The preliminary response of MeCNTh towards CO2 gas was evaluated via density functional theory (DFT) at B3LYP/6-31G (d,p) TD-SCF level of theory. The unique properties of MeCNTh is attributed by the presence of two potential active site of -NH-C=O and acetylide C≡C for H-bonding interaction between molecule MeCNTh and CO2 analyte. The sensing behaviors of both active sites were evaluated in term of interaction and stabilisation energy that give an effective evidence for sensing ability between MeCNTh and CO2. In fact, the response of sensing properties was also obtained from the difference in Mulliken charge distribution of MeCNTh and MeCNTh-CO2 to provide mechanism response of MeCNTh and CO2. Results revealed that -NH-C=O site of MeCNTh is a good interaction site for MeCNTh-CO2 to occur.
  • Publication
    FT-IR, NMR and X-ray crystallography dataset for newly synthesized alkoxy-chalcone featuring (E)-1-(4-ethylphenyl)-3-(4-(heptyloxy) phenyl)prop‑2-en-1-one
    ( 2020-08-01)
    Khairul W.M.
    ;
    Adibah Izzati Daud
    ;
    Augustine E.
    ;
    Arshad S.
    ;
    Razak I.A.
    Chalcone derivative featuring (E)-1-(4-ethylphenyl)-3-(4-(heptyloxy) phenyl) prop‑2-en-1-one (4EPC) has been successfully synthesized through base-catalyzed Claisen-Schmidt condensation reaction between an aromatic aldehyde and aromatic ketones in alcoholic media under room temperature condition. The synthesized compound was characterized by FT-IR, 1D NMR, and single-crystal X-ray diffraction studies. The compound crystallized in monoclinic space group C2/c. Recently, this synthesized compound attracted considerable interest in its unique characteristic to be used in various applications such as organic light - emitting diode (OLED), organic solar cells, and molecular gas sensor.
  • Publication
    In vitro Cytotoxic Activities, Molecular Docking and Density Functional Theory (DFT) Evaluation of Chalcone Derived Pyrazolines
    ( 2022-04-01)
    Farooq S.
    ;
    Ngaini Z.
    ;
    Hwang S.S.
    ;
    Choo D.C.Y.
    ;
    Adibah Izzati Daud
    ;
    Khairul W.M.
    Chalcone natural products modified drugs are a significant tool for the pharmaceutical industry to cure cancer. Numerous cytotoxic drugs have some drawbacks such as toxicity effect, high cost, less bioavailability, poor selectivity and drug resistance properties. The production of effective and high potent cytotoxic agents has become a challenge nowadays. For all compounds (1a–f), (2a–f) and (3a–f) in vitro cytotoxic activities were evaluated through MTS assay, where (3a) and (3e) exhibited potent activities against nasopharyngeal cell line HK-1 with IC50 7.7 mM and 7.3 mM, respectively, compared to cisplatin IC50 8.9 mM. The molecular docking interaction studies against 5IKR target protein and DFT evaluations via Gaussian 09 software exhibited the binding affinity – 10.4 kcal/mol and energy gap 4.46 eV respectively, supported the potential pyrazoline as anticancer drugs. This current study is a significant breakthrough in the drug design process that contributes to the development of new in vitro cytotoxic drugs with excellent properties.
  • Publication
    Synthesis and Characterisation of Fused-Aromatic Chalcone as Potential Materials for Detection of Copper (II) Ion
    ( 2023-06-09)
    Adibah Izzati Daud
    ;
    Kamaruzzaman N.S.
    ;
    Khairul W.M.
    Fused-aromatic chalcone derivative (Ch1) featuring donor-Ï€-acceptor system has been synthesized via Claisen-Schmidt reaction between 9-acethylantracene and nitro benzaldehyde in a one-pot reaction system. The synthesised compound has been elucidated using selected spectroscopic and analytical technique such as Fourier-Transform Infrared (FT-IR) spectroscopy,1H and13C Nuclear Magnetic Resonance, Thermogravimetric analysis (TGA) and CHNS elemental analysis. The response of Ch1 molecule towards the detection of copper (ii) ion (Cu2+) has been investigated via the differences in UV-Vis spectra before and upon interaction with Cu2+ ion. In addition, the theoretical simulation was implemented to investigate the relationship between experimental and theoretical finding in term of interaction distance (Ã…) and the interaction energy (kJ/mol) occurred between the Ch1 and Cu2+ ion. The obtained results indicated that Ch1 from chalcone derivative offered promising potential as ionophore for the detection of Cu2+ ion.
  • Publication
    Exploitation on the organic semiconductors nitro ethynylated-thiourea molecular framework as efficient sensing materials in the detection of carbon dioxide (CO2) by electron donating groups (EDGs) alteration
    ( 2021-10-01)
    Adibah Izzati Daud
    ;
    Khairul W.M.
    ;
    Wahid K.A.A.
    Organic semiconductors of nitro ethynylated-thiourea derivatives of D-π-A (1a-1d) with different donating groups were studied as active materials in the sensing layer, to evaluate their role in enhancing the sensing response (%) towards carbon dioxide (CO2) at ambient temperature. The fabricated 1a-1d on interdigitated electrodes (IDEs) indicate a significant increase in sensing response after exposure to CO2 (10–1000 mg/L) in relative humidity 65–70% RH. The reaction occurs between CO2 gas and water vapour in the designated environment produced two different ions of carbamates and bicarbonates. The increment in the resistivity values of 1a-1d is accredited to the interaction occurred between 1a-1d and the bicarbonate ion at the amide-carbonyl (NH-C[dbnd]O) reactive site. The role of difference donating groups anchored to the molecular framework of ethynylated-thioureas is to stabilize the electron conjugation and fluctuation in the molecular system of D-π-A. The highest sensing response (%) is attributed to 1c with strong activating electron donor group (15.99%−38.57%). 1a and 1b bearing moderate activating electron donor groups possess moderate sensing response towards CO2 (14.05%−36.15%), while 1d contains weak activating electron donor group exhibited the lowest sensing response of 7.82%−24.91%. All the synthesised compounds exhibited moderate response (τres) within 60 s and recovery (τrec) time 180 s significantly for absorption and desorption of CO2. Additionally, the theoretical mechanistic approach to the detection of CO2 was calculated via computational calculation at B3LYP/6-31G (d, p) level of theory to address the correlation between experimental and theoretical approach.
  • Publication
    Bringing forward the new generation of alkoxy-thiourea as potential treatment for Acanthamoeba keratitis
    ( 2017-02-21)
    Wan M. Khairul
    ;
    Yit Peng Goh
    ;
    Adibah Izzati Daud
    ;
    Nakisah M.A.
    Alkoxy substituted thiourea derivatives with general formula of A-ArC(O)NHC(S)NHAr-D which A represents the methoxy group and D denotes -OCnH2n+1 have been successfully synthesised and characterized. In turn, all the synthesised molecules were assayed for anti-amoebic activities towards Acanthamoeba sp to examine the cytotoxicity effect at their IC50 and membrane permeability. As predicted, the findings showed that the synthesised molecules owing promising anti-amoebic activity towards Acanthamoeba sp. To support, the Acridine-orange/Propidium iodide (AOPI) staining result under fluorescence microscopy revealed the treated amoeba cells by these alkoxy thiourea derivatives exhibited loss in their membrane permeability.
  • Publication
    Effect of pH on functional, gas sensing and antimicrobial properties of bio-nanocomposite gelatin film for food packaging application
    ( 2021-09-01)
    Azizun N.N.
    ;
    Khairul W.M.
    ;
    Adibah Izzati Daud
    ;
    Sarbon N.M.
    A bio-nanocomposite film is a polymer blend with nanofiller dispersed in a biopolymer matrix. The aim of this study is to investigate the functional, gas sensing and antimicrobial properties of bio-nanocomposite films incorporated with chicken skin gelatin/ tapioca starch/zinc oxide at different pH levels (pH 4, 6, 7 and 8). Bio-nanocomposite films were prepared using a casting technique followed by the characterization of their functional, gas sensing and antimicrobial properties. Film formulations with pH at different levels showed increased thickness, colour and water vapour permeability (WVP) (p < 0.05). In addition, the increase of pH in films in chicken skin gelatin bio-nanocomposite films increased the tensile strength (TS), while decreasing the elongation at break (EAB). The highest response for ammonia gas in chicken skin gelatin bio-nanocomposite films was obtained at pH 7, with quick response time (Ï„res) within 10 s. The inhibition zone of Staphylococcus aureus in chicken skin gelatin bio-nanocomposite films increased with increasing pH levels. Overall, chicken skin gelatin bio-nanocomposite films with a pH level of 8 were found to have the optimal formulation, with the highest values in thickness, and TS, with the lowest values for WVP and EAB. In conclusion, bio-nanocomposite chicken skin gelatin films with an alkaline pH are a superior packaging material.
  • Publication
    Electronic, reactivity and third order nonlinear optical properties of thermally-stable push-pull chalcones for optoelectronic interest: Experimental and DFT assessments
    ( 2021-12-01)
    Lee S.T.
    ;
    Khairul W.M.
    ;
    Lee O.J.
    ;
    Rahamathullah R.
    ;
    Adibah Izzati Daud
    ;
    Ku Bulat K.H.
    ;
    Sapari S.
    ;
    Abdul Razak F.I.
    ;
    Krishnan G.
    The present work highlighted the integration of quantum chemical approach and experimental results in attempts to elucidate the structural-property characteristics and behaviour of the fused-aromatic chalcones on the impact of their nonlinear attribute at the molecular level. Two push-pull chalcones namely 1-(anthracen-9-yl)-3(9-ethyl-carbazol-3-yl)prop-2-en-1-one (1AECP) and 3(9-ethyl-carbazol-3-yl)-1(pyren-1-yl)prop-2-en-1-one (3ECPP) were successfully designed, synthesised and analysed through FT-IR, UV–Vis, 1D NMR, TGA, DSC and third-order optical nonlinearities were performed via Z-scan measurement. Concurrently, density functional theory (DFT) analysis with basis set of B3LYP/6-31G (d,p) was computed to optimize the most stable molecular geometry configuration, HOMO-LUMO energy gap, global chemical reactivity descriptors (GCRD), molecular electrostatic potentials (MEP), natural bond orbital (NBO) analysis and hyperpolarizability analyses. The experimental optical gap (Egopt) of both compounds has demonstrated good agreement with corresponding calculated result and fall in the range of organic semiconducting materials with low range of HOMO-LUMO energy gap values, 2.98 and 2.74 eV respectively. The DFT result revealed that fused-aromatic reinforce intramolecular charge transfer (ICT), electronic dipole moment and improve polarizabilities on NLO properties of the material. The thermal stability analysis pinpointed that both of these materials are able to withstand high temperature up to 300 °C which unintentionally unveil their encouraging performance potentially. Additionally, Z-scan analysis discovered that both of the targeted compounds are indeed nonlinear refraction (NLR) active, manifesting self-defocusing effect with n2 value of −1.75 x 10−9 esu (1AECP) and −1.75 x 10−8 esu (3ECPP). In short, the theoretical output complement the experimental results fundamentally in the evaluation and prediction of their electronic nature which hence proved their prospect essentially in the optoelectronic-manufacturing development.
  • Publication
    Structural study of a novel acetylide-thiourea derivative and its evaluation as a detector of benzene
    ( 2017-07-05)
    Wan Mohd Khairul Wan Mohamed Zin
    ;
    Adibah Izzati Daud
    ;
    Noor Azura Mohd Hanifaah
    ;
    Suhana Arshad
    ;
    Ibrahim Abdul Razak
    ;
    Hafiza Mohamed Zuki
    ;
    Mauricio F. Erben
    The new derivative 1-hexanoyl-3-(4-p-tolylethynyl-phenyl)-thiourea (APHX) was synthesised by the addition reaction between 4[4-aminophenyl] ethynyltoluene and hexanoyl isothiocyanate in acetone. The acetylide group was incorporated by using Sonogashira cross-coupling reaction allowing for the preparation of acetylide-thiourea compound. APHX was then elucidated via single crystal X-ray crystallography analysis, spectroscopic and elemental analysis by Fourier Transform Infrared (FT-IR) spectroscopy, 1H and 13C Nuclear Magnetic Resonance (NMR), UV–visible analysis, CHNS-elemental analysis. APHX was also evaluated theoretically via density functional theory (DFT) approach. APHX was fabricated onto glass substrate via drop-cast technique prior to act as optical thin-film and its performance as volatile organic compounds (VOCs) sensor was investigated through the difference in UV–vis profile before and after exposure towards benzene. Preliminary findings revealed that APHX showed interaction towards benzene with about 48% sensitivity. According to thermogravimetric studies, APHX showed good thermal stability, without decomposition up to ca. 190 Â°C. Whilst, crystal structure of APHX consists in a nearly planar acylthiourea moiety with the C[dbnd]O and C[dbnd]S bonds utilizing trans position, favoring by an intramolecular N[sbnd]H⋯O[dbnd]C hydrogen bonds. The alkyl chain is oriented 90° with respect to acylthiourea group. The phenyls group in the 1-methyl-4-(phenylethynyl)benzene moieties are mutually planar and slightly twisted with respect to the acylthiourea plane. Centrosymmetric dimers generated by intermolecular N[sbnd]H⋯S[dbnd]C and C[sbnd]H⋯S[dbnd]C hydrogen bonds forming R22 (8) and R21(6) motifs are present in the crystals. The interaction between APHX with benzene has been modelled and calculated using density functional theory (DFT) via Gaussian 09 software package and the preferred sites of binding are located at the acylthiourea group.
  • Publication
    Synthesis, molecular docking and biological activity evaluation of alkoxy substituted chalcone derivatives: Potential apoptosis inducing agent on mcf-7 cells
    ( 2021-09-01)
    Khairul W.M.
    ;
    Hashim F.
    ;
    Mohammed M.
    ;
    Shah N.S.M.N.
    ;
    Johari S.A.T.T.
    ;
    Rahamathullah R.
    ;
    Adibah Izzati Daud
    ;
    Ma N.L.
    Introduction: In this contribution, a series of alkoxy substituted chalcones were successfully designed, synthesized, spectroscopically characterized and evaluated for their cytotoxicity potential in inhibiting the growth of MCF-7 cells. Objective: In order to investigate the influence between electron density in conjugated π-systems and biological activities, different withdrawing substituents, namely Nitro (NO2), Cyano (C≡N) and trifluoromethyl (CF3) were introduced in the chalcone-based molecular system. Methods: All the derivatives were then tested on MCF-7 cell line using the fluorescence microscopy-based cytotoxicity analyses. Results: The preliminary findings showed that both –NO2 and –CF3 substituents revealed their potential to inhibit the growth of MCF-7 with IC50 values of 14.75 and 13.75 µg/ml, respectively. In addition, the morphological changes of MCF-7 cells were observed in response to alkoxy substituted chalcone treatment through an induction of apoptosis pathway with cell blebbing, phosphatidylserine exposure and autophagic activity with acidification of lysosomal structure. Intermolecular interaction based on in silico investigation on nitro, trifluoromethyl and cyano based chalcones exhibited several types of interactions with tumor necrosis factor receptor (PDB: 1EXT) protein and high hydrogen bond in the molecule-receptor interaction have given significant impact towards their toxicity on MCF-7 cells. Conclusion: Significantly, these types of chalcones exhibited ideal and high potential to be further developed as anti-cancer agents.