Articles

HUBUNGAN KUANTITATIF STRUKTUR ELEKTRONIK DAN AKTIVITAS ANTITUMOR SENYAWA TURUNAN AMINO PIRIMIDO ISOKUINOLIN KUINON DENGAN PENDEKATAN REGRESI KOMPONEN UTAMA Saputra, Andrian; Wijaya, Karna; Tahir, Iqmal
CHEMISTRY PROGRESS Vol 6, No 1 (2013)
Publisher : Sam Ratulangi University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35799/cp.6.1.2013.2066

Abstract

Tujuan penelitian ini yaitu menganalisis Hubungan Kuantitatif Struktur Aktivitas (HKSA) turunan amino pirimidoisokuinolin kuinon yang berkhasiat sebagai antitumor telah dilakukan dengan menggunakan pendekatan regresikomponen utama. Data aktivitas biologis yang digunakan pada penelitian ini merupakan aktivitas senyawamelawan sel tumor AGS (Human Gastric Adenocarcinoma Cell Line) dalam ukuran log IC 50 . Sebagai deskriptordigunakan muatan atom bersih bersih (q) pada kerangka struktur senyawa dari hasil optimasi geometrimenggunakan perhitungan mekanika kuantum semiempirik AM1. Analisis komponen utama dilakukan sebelum proses regresi untuk mendapatkan variabel laten yang merupakan hasil transformasi data deskriptor muatanatom bersih (q). Dengan pendekatan regresi komponen utama diperoleh keterkaitan erat antara log IC 50 dan q yang direpresentasikan dengan persamaan HKSA berikut :log IC 50 = 0,671 - 0,041.x 1 + 0,232.x 2 + 0,270.x 3 - 0,087.x 4 + 0,105.x 5dengan, n = 27, r = 0,762, SE = 0,362, F hitung /F tabel = 2,168.Quantitative Structure Activity Relationship (QSAR) analysis of amino-pyrimido-isoquinolin-quinone analoguesas antitumor compound has been done using principal component regression approaches. Biological activitydata that used in this research were the activity against tumor cell AGS (Human Gastric Adenocarcinoma CellLine) as log IC 50 values. Atomic net charges (q) in the skeleton of the compound have been selected asdescriptors and all data were resulted by geometry optimization using AM1 semiempirical quantum mechanicscalculations. Principle component analysis has been performed before regression process to produce latentvariables by transformation of the descriptors. Based on principle component regression approaches, there isa selected quantitative relationship between log IC 50 to the descriptors that was shown by QSAR equation below:log IC 50 = 0.671 ? 0.041.x 1 + 0.232.x 2 + 0.270.x 3 ? 0.087.x 4 + 0.105.x 5with, n = 27, r = 0.762, SE = 0.362, F calc. /F table = 2.168.
PENGGUNAAN METODE SEMIEMPIRIK AM1 UNTUK PEMILIHAN MONOMER FUNGSIONAL EFEKTIF PADA PRASINTESIS POLIMER TERCETAK DIAZINON Saputra, Andrian; Wijaya, Karna; Ahmad, Mohd Noor; Tahir, Iqmal
Jurnal Kimia Valensi Jurnal Valensi Volume 3, No.1, Mei 2013
Publisher : Lembaga Penelitian dan Pengabdian Kepada Masyarakat Syarif Hidayatullah State Islamic Uni

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (555.621 KB) | DOI: 10.15408/jkv.v3i1.323

Abstract

Pemilihan monomer fungsional yang efektif untuk sintesis Molecular Imprinted Polymer (MIP)untuk diazinon dapat dilakukan dengan pendekatan kimia komputasi dengan menerapkan metode semiempirik AM1. Proses seleksi menggunakan parametermomen dipol, energi interaksi, dan ikatan hidrogen yang terbentuk. Energi interaksi yang optimum menunjukkan kompleks yang terbentuk stabildan mengindikasikan MIP akan dapat terbentuk baik.Semua perhitungan pada penelitian ini dilakukan dengan menggunakan software Hyperchem 7.5. Hasil penelitian menunjukkan monomer fungsional efektif untuk prasintesis polimer tercetak diazinon yaitu akrilamida, asam akrilat, asam metakrilat, hidroksi etil metakrilat, asam urokanat, asam itakonat, dan asam urokanat etil ester. Hasil ini secara teoritik  dapat memberikan informasi mengenai monomer fungsional efektif yang dapat digunakan sebagai pertimbangan sintesis MIP untuk diazinon dengan selektivitas relatif baik.
ELECTRO-DEGRADATION OF REACTIVE BLUE DYES USING CYLINDER MODIFIED ELECTRODE: TI/β-PBO2 AS DIMENSIONALLY STABLE ANODE Mukimin, Aris; Wijaya, Karna; Kuncaka, Agus
Indonesian Journal of Chemistry Vol 10, No 3 (2010)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.21431

Abstract

A cylinder modified electrode of the ?-PbO2 was fabricated by anodic electro-deposition method on titanium substrate. The PbO2 layer prepared from high acid solution (pH: 0.3) that contains a mixed of 0.5 M Pb(NO3)2, 1 M HNO3, and 0,02 M NaF. The physicochemical properties of the PbO2 electrode were analyzed by using Energy Dispersive X-Ray Analysis and X-Ray Diffraction. The analyses have shown that oxide layer has an O/Pb ratio about 1.6 and the PbO impurities are formed in the surface layer besides the ?-PbO2. The modified electrode was used as anode paired stainless cathode in the electro-degradation of reactive blue dye. The results of the electro-catalytic oxidation process of the dye solution were expressed in terms of the remaining intensity dye and chemical oxygen demand (COD) values. The modified electrode has removal efficiency of the reactive blue dye at voltage of 7 V, pH of 7, concentration NaCl of 2 g/L, initial dye concentration of 100 mg/L with simple and short time operations.
MG/AL HYDROTALCITE-LIKE SYNTHESIZED FROM BRINE WATER FOR EOSIN YELLOW REMOVAL Heraldy, Eddy; Triyono, Triyono; Wijaya, Karna; Santosa, Sri Juari
Indonesian Journal of Chemistry Vol 11, No 2 (2011)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.21397

Abstract

Attempts to synthesis of Mg/Al HTlc using magnesium from several raw material resources are widely investigated. One of raw material would purpose as source of magnesium to synthesis of Mg/Al HTlc is brine water which is well known as the desalination process wastewater. Mg/Al HTlc are widely investigated for their potential applications in research and industrial processes as adsorbents, anionic exchange, catalysts and /or catalyst precursors for the preparation of inorganic materials and pharmaceutical industry excipients. As adsorbents, Mg/Al HTlc are receiving greater interests in the environmental community due to their high adsorption capacity. However, there is no literature available on the synthesis of Mg/Al HTlc from brine water except from artificial seawater. The objective of this research is to synthesis of Mg/Al HTlc from brine water and its ability tested for eosin yellow (EY) removal. Characterization of the Mg/Al HTlc synthesized was confirmed through X-ray Diffraction and FT-IR Spectroscopy. The effect of various experimental parameters was investigated using a batch adsorption technique. In this manner, the adsorption isotherms, adsorption kinetics, and pH effects upon EY adsorption on Mg/Al HTlc were examined. The result showed that EY data fit well with the pseudo-second order kinetic model. The isothermal data could be well described by the Freundlich equation. The adsorption capacity was 2.41 × 10-1 mol g-1, and adsorption energy of EY was 24.89 kJ mol-1.
ANALYSIS OF HYDROGEN ADSORPTION AND DIFFUSION ON Mg(0001) SURFACE: AN AB INITIO DFT STUDY Sutapa, I Wayan; Amunanto, Ria; Wijaya, Karna
Jurnal Sains dan Terapan Kimia Vol 4, No 1 (2010)
Publisher : Jurnal Sains dan Terapan Kimia

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Abstract

Ab initio density functional theory (DFT) calculations are performed to study the adsorption ofH2 molecules on a Mg(0001) surface. First, the adsorption energy was investigated. In thecalculation of the adsorption process of molecular hydrogen, observation showed a physicaladsorption of molecular hydrogen rather than chemisorptions.The diffusion process of atomichydrogen on Mg (0001) was also presented. Finally, we are comparing all of our calculationwith results from previous experiments.Keyword: DFT, Adsorption, Diffusion, Mg(0001), H2
Optimisasi Rasio Diazinon/Asam Metakrilat Secara Teoritik Berdasarkan Metoda Semiempirik Am1 Untuk Sintesis Polimer Tercetak Molekul Saputra, Andrian; Wijaya, Karna; Ahmad, Mohd Noor; Tahir, Iqmal
Jurnal Sains dan Terapan Kimia Vol 7, No 2 (2013)
Publisher : Jurnal Sains dan Terapan Kimia

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Abstract

Rasio optimum diazinon/asam metakrilat pada desain polimer tercetak molekul untuk aplikasi sensor diazinon berbasis quartz crystal microbalance telah ditentukan secara teoritik menggunakan perhitungan mekanika kuantum semiempirik AM1. Kajian ditentukan berdasarkan pemodelan molekul yang mempelajari interaksi non kovalen antara diazinon sebagai templat dan asam metakrilat sebagai monomer fungsional. Analisis dilakukan untuk mencari kestabilan komplek yang terbentuk dengan berdasarkan parameter energi interaksi antara diazinon dan asam metakrilat yang dilakukan dengan menggunakan perangkat lunak Hyperchem 7.5.  Hasil penelitian menunjukkan pembentukan komplek stabil terjadi dengan melibatkan  ikatan hidrogen.  Untuk kompleks dengan energi interaksi optimum diperoleh dari komplek diazinon/asam metakrilat dengan rasio 1:3, yang kemudian direkomendasikan sebagai rasio mol optimum pada sintesis polimer tercetak diazinon.   Kata kunci : diazinon, asam metakrilat, semiempirik AM1, polimer tercetak molekul, Quartz Crystal Microbalance
PILARISASI DAN KARAKTERISASI MONTMORILLONIT Istinia, Yulia; Wijaya, Karna; Tahir, Iqmal; Mudasir, Mudasir
Jurnal Sains Materi Indonesia Vol 4, No 3: JUNI 2003
Publisher : Center for Science & Technology of Advanced Materials - National Nuclear Energy Agency

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.17146/jsmi.2003.4.3.4867

Abstract

PILARISASI DAN KARAKTERISASI MONTMORILLONIT. Telah dilakukan pilarisasi montmorillonit dengan Cr2O3 dengan metode interkalasi dan karakterisasinya baik secara kualitatif maupun kuantitatif. Sintesis lempung terpilar dilakukan melalui dua tahap yaitu tahap pembuatan agent pemilar berupa oligomer kation chrom dan pemilaran montmorillonit. Pembuatan oligomer dilakukan dengan melarutkan garam Cr(NO3)3. 9H2O dalam air terdemineralisasi selama 36 jam dengan pemanasan pada suhu 95oC sambil diaduk dengan pengaduk magnet. Pemilaran lempung dilakukan dengan melarutkan Na-montmorillonit ke dalam larutan campuran air terdemineralisasi dan aseton, selanjutnya mencampurkan suspensi tersebut ke dalam larutan oligomer sambil diaduk dengan pengaduk magnet pada suhu pemanasan 40 oC selama 24 jam. Campuran disaring kemudian padatan yang diperoleh dikeringkan dan selanjutnya dikarakteristik menggunakan spektrofotometer inframerah, difraksi sinar-X, analisis adsorpsi gas dan analisis pengaktifan neutron. Analisis yang sama juga dilakukan pada Na-montmorillonit yang digunakan sebagai pembanding. Tahap selanjutnya adalah uji keasaman permukaan yang dilakukan secara kualitatif yaitu dengan metode spektrofotometer infra merah dan secara kuantitatif dengan metode gravimetri yaitu dengan mengadsorbsikan amoniak ke dalam montmorillonit terpilar Cr2O3. Hasil penelitian menunjukkan bahwa pilarisasi Na-montmorillonit dengan Cr2O3 membentuk montmorillonit terpilar Cr2O3 dengan tinggi pilar sebesar 5,95Å, Pilarisasi juga mengakibatkan kenaikan luas permukaan spesifik dari dari 90,0587 m2/g (Na-montmorillonit) menjadi 170,471 m2/g (montmorillonit terpilar) dan volume total pori dari 60,9264 x 10-3 cm3/g (Na-montmorillonit) menjadi 92,6631 x 10-3 cm3/g (montmorillonit terpilar Cr2O3). Keasaman permukaan montmorillonit meningkat dari 0,6673 mmol/g (Na-Montmorillonit) menjadi 2,6965 mmol/g (montmorillonit terpilar Cr2O3).
PREPARATION AND CHARACTERIZATION OF TIO2-ZEOLITE AND ITS APPLICATION TO DEGRADE TEXTILLE WASTEWATER BY PHOTOCATALYTIC METHOD Utubira, Yeslia; Wijaya, Karna; Triyono, Triyono; Sugiharto, Eko
Indonesian Journal of Chemistry Vol 6, No 3 (2006)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.21724

Abstract

The preparation of titanium oxide-zeolite composite (TiO2-zeolite) has been done. Preparation was initiated by dispersing oligocation of titanium solution into suspension of natural zeolite. The suspension was stirred and then filtered to separate the solid phase from the filtrate. The solid phase was heated by microwave oven to convert the oligocations into its oxide forms and the resulting material (called as TiO2-zeolite) then was used to photodegrade the wastewater of PT.Jogjatex The TiO2-zeolite and unmodified zeolite were characterized using X-ray diffractometry, FT-IR spectro-photometry, X-ray fluorescence (XRF) and gas sorption analysis (GSA) methods to determine their physicochemical properties. Photocatalytic activity of TiO2-Zeolite was tested by exposing the suspension of TiO2-Zeolite/wastewater by the UV light of 366 nm at room temperature for 15 - 75 minutes. Characterization results exhibited that the formation of TiO2 on internal as well as external surfaces of Zeolite could not be detected  with X-ray diffractometry as well as  FT-IR spectrophotometry, however elemental analysis result with XRF indicated that titanium concentration in zeolite increased due to the inclusion, i.e from 0.26% (w/w) in zeolite to 2.80% (w/w) in TiO2-zeolite. Characterization result by GSA exhibited the increased of specific surface area from 19.57 m2/g in zeolite to 67.96 m2/g in TiO2-zeolite; total pore volume from 20.64 x 10-3 mL/g in zeolite to 49.561 x 10-3 mL/g in TiO2-Zeolite; pore radius average decreased from 21.10 Å in zeolite to 14.58 Å in TiO2-zeolite. Photocatalytic activity test of TiO2-zeolite on wastewater of PT. Jogjatex showed that UV radiation for 75 minutes on the mixture of TiO2-zeolite and wastewater resulted in the decreased of  COD number up to 57.85%. Meanwhile the sorption study showed that zeolite and TiO2-zeolite could decrease COD number of wastewater up to 43.95% and 57.85%, respectively.
UTILISASI TIO2-ZEOLIT DAN SINAR UV UNTUK FOTODEGRADASI ZAT WARNA CONGO RED Wijaya, Karna; Sugiharto, Eko; Fatimah, Is; Sudiono, Sri; Kurniaysih, Diyan
Teknoin Vol 11, No 3 (2006)
Publisher : Fakultas Teknologi Industri Universitas Islam Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20885/.v11i3.88

Abstract

        An investigation of Congo Red photodegradation using TiO2-Zeolite and UV radiation was performed. TiO2-Zeolite was prepared by dispersing of pillaring solution (in form oligocations of titanium) into suspension of Zeolite. The suspension was stirred and then filtered to separate the solid phase from the filtrate. the solid phase was calcined by microwave oven at 800 Watt for 5 minutes to convert the oligocations into its oxide forms. The calcined product and  unmodified Zeolite were characterized using x-ray diffractometry, FT-IR spectrophotometry, X-ray fluorescence and gas sorption analysis to determine their physicochemical properties.        Photocatalytic activity of TiO2-Zeolite was tested on Congo Red using following method: 50 mg of Zeolite was dispersed into 25 mL of 10-4 M Congo Red. The dispersion was irradiated using 365 nm UV light at room temperature on various irradiation times, i.e. 10,20,30,40 and 60 minutes.  At certain irradiation time, the dispersion was filtered and the filtrate was then analyzed its concentration using UV-vis spectrophotometry method.         Characterization results exhibited that the formation of TiO2 on internal as well as external surfaces of Zeolite could not be detected  with x-ray diffractometry and FT-IR spectrophotometry, however determination of titanium using x-ray fluorescence analysis on the calcined product showed that the concentration of titanium was much higher than Zeolite (0.22% on Zeolite and 12.08% on TiO2-Zeolite). Gas sorption analysis result indicated that the the calcination  resulted in the increase of specific surface area (16,31 m2/g on Zeolite and 100,96 m2/g on TiO2-Zeolite) as well as total pore volume  of calcined product (13,34 mL/�/g on Zeolite and 57,54 mL/�/g on TiO2-Zeolite). Photocalytic activitiy test result conducted on that dye showed that ca 99 % of Congo Red was degraded by the system TiO2-Zeolite after UV irradiation for 60 minutes.Keywords: TiO2-Zeolite, photocatalytic, UV-irradiation, Congo Red
Pengaruh Pemanasan Terhadap Kristalinitas Dan Parameter Kisi Nanokomposit Silika-Zirkonia Montmorillonit K10 Dan Silika-Besi Oksida Montmorillonit K10 Sekewael, Serly J.; Wijaya, Karna; ., Triyono
Indo. J. Chem. Res. Vol 6 No 1 (2018): Edisi Bulan Juli (Edition For July)
Publisher : Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598//ijcr.2018.6-sjs

Abstract

The thermal treatment of the silica-zirconia montmorillonite K10 and silica-ferri oxide montmorillonite K10 nanocomposites at 300 and 500 °C has been carried out, respectively as part of a study of their function as the catalyst. The heating effect on the crystallinity and the lattice parameter calculation of both nanocomposites was studied using XRD and FTIR instruments. The results showed that the nanocomposite silica-zirconia montmorillonite K10 has a thermal resistance and the crystallinity better than the silica-ferri oxide montmorillonite K10, and both have values varying lattice parameters.