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All Journal ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry
Niko Prasetyo
Austrian-Indonesian Centre For Computational Chemistry, Department Of Chemistry, Universitas Gadjah Mada, Sekip Utara Yogyakarta 55281
Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Environmental Science Materials Science & Nanotechnology

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Codoping Effect of Nitrogen (N) to Iron (Fe) Doped Zirconium Titanate (ZrTiO4) Composite toward Its Visible Light Responsiveness as Photocatalysts Rizka Hayati; Rian Kurniawan; Niko Prasetyo; Sri Sudiono; Akhmad Syoufian
Indonesian Journal of Chemistry Vol 22, No 3 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.70146

Abstract

Iron (Fe) and nitrogen (N) were introduced as dopants into zirconium titanate (ZrTiO4) in order to study the codoping effects of nitrogen on iron-doped zirconium titanate (Fe,N-codoped ZrTiO4) composite. Titanium tetraisopropoxide (TTIP), zirconia (ZrO2), urea, and iron(II) sulfate heptahydrate were used as the source of TiO2, semiconductor supports, source of nitrogen, and iron, respectively. A specific amount of iron (1, 3, 5, 7, and 9 wt.%) and a fixed nitrogen content (10 wt.%) were doped into the ZrTiO4 lattice. Various calcination temperatures (from 500 to 900 °C) were also applied to investigate the crystal structure of the composite. The composites were characterized by X-ray powder diffractometer (XRD), Fourier-transform infrared spectrophotometer (FT-IR), scanning electron microscope with energy dispersive X-Ray spectrometer (SEM-EDX), and specular reflectance UV-Vis (SR-UV). The lowest bandgap energy of 2.62 eV was obtained in the composite with 3 wt.% of Fe and 10 wt.% of N calcined at 500 °C.
Penambatan Molekul dan Simulasi Dinamika Molekular Kandungan Minyak Kayu Manis dan Minyak Serai Dapur Sebagai Antibakteri Methicillin Resistant Staphylococcus aureus Caesart Leonardo Kaharudin; Afif Akmal Afkauni; Aditya Yuan Pramudyansyah; Niko Prasetyo
ALCHEMY Jurnal Penelitian Kimia Vol 18, No 2 (2022): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.18.2.54997.140-147

Abstract

Meluasnya penyebaran Methicillin Resistant Staphylococcus aureus (MRSA) yang kebal terhadap antibiotik β-laktam membuat penelitian untuk menemukan senyawa aktif yang memiliki potensi sebagai antibakteri MRSA menjadi penting. Salah satu penelitian yang dapat dilakukan adalah studi penambatan molekul. Studi penambatan molekul telah dilakukan menggunakan senyawa bahan alam dari minyak kayu manis dan minyak serai dapur dengan reseptor enzim Penicillin Binding Protein 2a (PBP2a). Studi ini memiliki tujuan untuk memprediksi kemampuan senyawa bahan alam dari kedua minyak atsiri tersebut sebagai antibakteri MRSA. Penambatan molekul dilakukan menggunakan perangkat lunak (software) AutoDock 4.2. Hasil penelitian menunjukkan bahwa senyawa dengan potensi sebagai antibakteri paling besar adalah trans-β-kariofilen dan geranil asetat dengan energi ikat sebesar -6,12 dan -5,11 kkal/mol dan konstanta inhibisi sebesar 32,69 dan 180,41 µM. Hasil penambatan molekul kemudian dilanjutkan dengan simulasi dinamika molekular. Hasil simulasi dinamika molekular menunjukkan bahwa kedua senyawa memiliki nilai Root Mean Square Deviation (RMSD) yang tinggi.Molecular Docking and Molecular Dynamics Simulation of Cinnamon Oil and Kitchen Lemongrass Oil as Antibacterial Agent Against Methicillin-Resistant Staphylococcus aureus. The spread of Methicillin-Resistant Staphylococcus aureus (MRSA) caused the research for its antibiotic to become more pressing than ever. One of the research that can be conducted is a molecular docking study. A molecular docking study of natural products from cinnamon and lemongrass oil with Penicillin Binding Protein 2a (PBP2a) enzyme was conducted. This study aims to predict the ability of each natural product to become an MRSA antibiotic. The molecular docking was conducted with AutoDock 4.2 software. The result shows that β-caryophyllene and geranyl acetate have the most potential to become MRSA antibiotics with binding energies of -6.12 kcal/mol and -5.11 kcal/mol and inhibition constants of 32.69 μM and 180.41 µM, respectively. The results of molecular docking were validated using molecular dynamic simulation. Molecular dynamic simulation shows that both complexes have a high root mean square deviation (RMSD) value.
Copper-and-Nitrogen-Codoped Zirconium Titanate (Cu-N-ZrTiO4) as a Photocatalyst for Photo-Degradation of Methylene Blue under Visible-Light Irradiation Lenny Rahmawati; Rian Kurniawan; Niko Prasetyo; Sri Sudiono; Akhmad Syoufian
Indonesian Journal of Chemistry Vol 23, No 2 (2023)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.78908

Abstract

Synthesis and characterization of copper-and-nitrogen-codoped zirconium titanate (Cu-N-ZrTiO4) as a photocatalyst for the degradation of methylene blue (MB) have been conducted. The main purpose of this research was to investigate the co-doping effect of copper and nitrogen dopants in ZrTiO4 as a photocatalyst for the photodegradation of MB. Titanium-(IV) tetraisopropoxide (TTIP) was dissolved into ethanol and mixed with aqueous zirconia (ZrO2) suspension containing 10% nitrogen (N) (w/w to Ti) from urea and various amount of copper as dopants. The calcination was performed at temperatures of 500, 700, and 900 °C. The composites were characterized using Fourier transform infrared spectrophotometer (FTIR), X-ray diffractometer (XRD), scanning electron microscopy with energy dispersive X-ray (SEM-EDX) mapping, and specular reflectance UV-Visible spectrophotometer (SRUV-Vis). The degradation of 4 mg L−1 MB solution was conducted for various irradiation times. Characterization shows a significant decrease of the ZrTiO4 band gap from 3.09 to 2.65 eV, which was given by the composite with the addition of 4% Cu and calcination of 900 °C. Cu-N-ZrTiO4 composite can degrade MB solution up to 83% after 120 min under the irradiation of visible light.
Photodegradation of Phenol under Visible Light Irradiation Using Cu-N-codoped ZrTiO4 Composite as a High-Performance Photocatalyst Wanda Putra Fauzi; Rian Kurniawan; Sri Sudiono; Niko Prasetyo; Akhmad Syoufian
Indonesian Journal of Chemistry Vol 24, No 2 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.90365

Abstract

Codoping of nitrogen and copper into zirconium titanate composite (Cu-N-codoped ZrTiO4) was carried out through a sol-gel process. This study aimed to investigate the effect of copper and nitrogen dopants on the photocatalytic activity of ZrTiO4 composite in degrading phenol. To prepare the composite, an aqueous suspension of zirconia (ZrO2) alongside a fixed amount of urea and various amount of copper sulfate was added dropwise into diluted titanium(IV) tetraisopropoxide (TTIP) in ethanol. The composites were calcined at temperatures of 500, 700, and 900 °C. Fourier-transform infrared spectrophotometry (FTIR), X-ray diffraction (XRD), scanning electron microscopy with energy dispersive X-ray (SEM-EDX) mapping, and specular reflectance UV-visible spectrophotometry (SR UV-vis) were used for their characterization of composite. The photocatalytic activity was evaluated by adding the composite into a 10 mg L−1 phenol solution for various irradiation time spans. The remaining concentration of phenol solution was determined by absorption at 269 nm. Cu-N-codoped ZrTiO4 composite containing 5% Cu calcined at 500 °C demonstrated the highest observed rate constant and a significant band gap decrease from 3.13 to 2.68 eV.
Co-Authors Aditya Yuan Pramudyansyah Afif Akmal Afkauni Akhmad Syoufian Caesart Leonardo Kaharudin Lenny Rahmawati Rian Kurniawan Rian Kurniawan Rizka Hayati Saprizal Hadisaputra Sri Sudiono Wanda Putra Fauzi