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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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.

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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.

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A Dual Approach on Experimental, Theoretical Insight of Structural Elucidation, Hirshfeld Surface Analysis, Optical and Electrochemical Properties of Acyl Thiourea-Ethynyl Hybrid Derivatives

2022-09-01 , Adibah Izzati Daud , Khairul W.M. , Arshad S. , Razak I.A. , González D.L.N. , Erben M.F.

Hybrid moieties of ethynylated-thiourea, Th1 and Th2 have been synthesised via the addition reaction between ethynyl derivatives and 4-tert-butylbenzoyl isothiocyanate in acetone, and were characterised by selected spectroscopic methods (i.e., 1H and 13C NMR, UV–visible, FT-IR) and elemental analysis. Thermogravimetric analysis indicated that Th1 and Th2 were relatively stable up to ca. 210 Â°C. Single-crystal X-ray diffraction was used to identify the crystal structure of Th2 in which the centre of 1-acyl thiourea moiety (-C(O)NHC(S)NH) exhibits S conformation. The Hirshfeld surface analysis has allowed visualizing the crystal packing, which is characterised by the prolonged intermolecular N–H⋯O = C and N–H⋯S = C hydrogen-bonding interactions within Th2 molecule. Electrochemical data of both compounds correspondingly exhibit irreversible redox potential processes. Besides, frontier molecular orbitals and Natural Bond Orbital population analysis were computed at the B3LYP/6-31G (d, p) level of approximation, suggesting strong delocalization of the electronic density through a conjugated Ï€-system involving the ethynyl-phenyl and thiourea groups. Graphical Abstract: Figure of molecular structure for acyl thiourea-ethynyl derivative. Two derivatives of acyl thiourea-ethynyl were synthesised and characterised by selected spectroscopic methods such as 1H and 13C NMR, UV-visible, FT-IR, elemental, thermal, electrochemical, X-ray diffraction, and density functional theory (DFT) calculation for molecular orbitals and natural bond orbital population analysis. [Figure not available: see fulltext.]

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Microwave Assisted Synthesis and Antimicrobial Activities of Carboxylpyrazoline Derivatives: Molecular Docking and DFT Influence in Bioisosteric Replacement

2022-01-01 , Farooq S. , Ngaini Z. , Adibah Izzati Daud , Khairul W.M.

Chalcone is a naturally derived compound which has well-known for its antimicrobial potency. Different factors reduced the efficiency of drug derivatives effective drugs always remain in demand. In this present work, bioisosteric replacement of carboxyl group is described in 1a–h, 2a–h, 3a–h and 4a–h) via microwave-assisted synthesis with excellent yields (46.76–94.59%). The antimicrobial evaluation against S. aureus depicted excellent inhibition of 1b, 1h and 3a–h with higher inhibition zones (11–18 mm) compared to that of ampicillin (11 mm). The structure-activity relationship was supported by molecular docking studies of 1b and 3h on S. aureus 4-pql protein with the binding affinity of −6.7 and −7.8 kcal/mol respectively. The DFT studies depicted the energy gap (ΔE) values 4.12 eV and 4.48 eV for compounds 1b and 3h, respectively. The presence of electron-withdrawing group (EWG) of fluorine substituent on the pyrazoline network has increased the antimicrobial activity as compared to chalcone derivatives. This study is profitable to medicinal industries in designing new drugs that benefit mankind. (Figure presented.).

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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.

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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.

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Synthesis and structural elucidation of a nitro substituted ethynyl-thiourea derivative (NETh) for carbon monoxide (CO) detection

2021-09-14 , Adibah Izzati Daud , Khairul W.M. , Musa F.Z. , Mohammed M. , Zuki H.M.

A model compound of hybrid ethynyl-thiourea featuring nitro substitution at the para-position of the molecular framework was designed, synthesised and structurally elucidated. In this work, the characteristic response of the nitro-substituted ethynyl-thiourea derivative (NETh) towards carbon monoxide (CO) gas was evaluated via UV-Vis spectrophotometer under optimised absorbance response. NETh exposed to CO gas within the concentration range of 10-30 ppm exhibited the highest sensing response of 11.78% towards the lowest CO concentration (10 ppm). The calculated interaction distance and interaction energy between NETh and CO molecules were modelled using density functional theory (DFT) via Gaussian09 software, and the results revealed that the preferred active site of interaction between NETh and CO was at the alkene position (H atom at cis position to carbonyl, C=O).

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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.

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Silica–silver core–shell nanoparticles incorporated with cellulose filter paper as an effective colorimetric probe for mercury ion detection in aqueous media: Experimental and computational evaluations

2023-05-01 , Azmi A.A. , Adibah Izzati Daud , Khairul W.M. , Hamzah S. , Wan Mohd Khalik W.M.A. , Hanis Hayati Hairom N.

This study investigates the facile and rapid detection of mercury ions using silica–silver core–shell nanoparticles (SiO2–AgNPs) incorporating a paper-based colorimetric sensor strip. A strong surface plasmon resonance peak at λ = 430 nm was observed for the resultant SiO2–AgNPs. The attachment of the AgNPs to the surface of SiO2 and the deposition of the AgNPs on the paper strip were confirmed using an electron microscope. The sensing of the SiO2–AgNPs toward the mercuric ion (Hg2+) in an aqueous solution indicated a rapid response in terms of a color change from yellowish-brown to colorless with a response time of 5–10 s. The prepared SiO2–AgNPs deposited on the paper strip exhibited high selectivity toward Hg2+ compared with other metal ions. The limit of detection for this assay was 1.13 nM, with an excellent correlation value of R2 = 0.9936. In addition, the complexation mode of the SiO2–AgNPs with Hg2+ was also elucidated via theoretical calculations using the density functional theory approach. This approach also provides insight into the complexation structure in terms of the electronic alteration of the SiO2–AgNPs prior to and following their interaction with Hg2+. Overall, the study demonstrates that SiO2–AgNP-based sensor materials can be utilized for the selective recognition of Hg2+ in aqueous solutions.

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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.

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