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Analysis of Quantitative Structure and Solubility Relationship for Organophospate Active Compounds Linear Model and Cluster Model Approach Fatimah, Is; Nugraha, Jaka
Jurnal ILMU DASAR Vol 8, No 1 (2007)
Publisher : Fakultas MIPA Universitas Jember

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Abstract

Study on quantitative solubility and structure relationship of organophospate pesticide has been conducted. Aim of this research is to analyze relationship between characteristic physical properties (water solubility) of pesticide with molecular structure by a model that can be used to predict physical properties of new compound proposed to be pesticide compound. Analysis was done for 52 organopospate compounds and its water solubility data. The model predicted by 39 fagmental descriptor based on spesific structure of organophospate compound. Analysis used in modeling are cluster analysis, one way analysis of variance (ANOVA) and regression analysis. Result show water solubility of the pesticide compound positive effect by functional group of P=O, N-primer and C=O in the structure. Functional group of S (sulphur), fen (phenil) , C-aromatic, C1-C2, C3-C4, C5-C6, Ortho Aromatic, P=S, C-Cl and log(Mr) decrease water solubility. The model resulted by regression analysis using stepwise and best subset method is : Ln(1+watsol) = 11.0 - 0.352 n C (aromatic) - 5.41 n (P=S) - 1.55 n (C-Cl), F-value = 32.43 (sign. 0,000) , R2 = 0.67 dan S=2.643. The model can be used to predict the organoposphate water solubility.Keywords : QSPR, ANOVA, regression analysis, organophospate pesticide
TANDEM SIKLISASI-HIDROGENASI SITRONELAL BERKATALIS ZrO2 - MONTMORILLONIT DENGAN VARIASI METODE REAKSI Fatimah, Is; Yudha, Septian Perwira; Rubiyanto, Dwiarso; Huda, Thorikul
Jurnal Penelitian Saintek Vol 18, No 2 (2013): OKTOBER 2013
Publisher : Jurnal Penelitian Saintek

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Abstract

Telah dilakukan reaksi tandem hidrogenasi-siklisasi menuju menthol dari citronellal secara satu tahap dengan variasi metode berkatalis ZrO2   montmorillonite (Zr-MMT). Tujuan penelitian adalah untuk menentukan keefektifan katalis Zr-MMTdengan dua metode: metode dengan sistem flow terhadap campuran sitronellal-katalis setelah refluks dengan tekanan H2  sebesar 3 kPa dan metode yang lain sistem flow terhadap campuran sitronellal- katalis pada 200oC dengan tekanan H2  2kPa. Hasil reaksi dianalisis menggunakan GC-MS dengan  menentukan  total  konversi  dan  rendemen  mentol.  Hasil  menunjukkan  bahwa metode yang berbeda memberikan mekanisme reaksi yang signifikan. Metode pertama memberikan konversi sebesar 99% dengan produk utama isomenthon dan isopulegol sedangkan metode ke dua memberikan nilai konversi 5,18% dengan selektifitas sebesar 0,39% terhadap menthol. Dibandingkan dengan montmorillonit alam, kedua proses memberikan nilai  konversi  lebih  besar  dimana  konversi  menggunakan  montmorillonit kurang dari 5%. Ketercukupan laju H2  sebagai reaktan adalah faktor penting dalam menentukan mekanisme.
UTILISASI TiO2-ZEOLIT DAN SINAR UV UNTUK FOTODEGRADASI ZAT WARNA CONGO RED Wijaya, Karna; Sugiharto, Eko; Fatimah, Is; Sudiono, Sri; Kurniaysih, Dyan
Berkala Ilmiah MIPA Vol 16, No 3 (2006)
Publisher : FMIPA UGM

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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 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/A/g on zeolite and 57,54 mL/A/g on TiO2-zeolite). Photocalytic activity 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
Physicochemical and Photocatalytic Properties of Fe-Pillared Bentonite at Various Fe Content Fatimah, Is; Nurkholifah, Yuyun Yunani
Bulletin of Chemical Reaction Engineering & Catalysis 2016: BCREC Volume 11 Issue 3 Year 2016 (SCOPUS Indexed, December 2016)
Publisher : Department of Chemical Engineering - Diponegoro University

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Abstract

Iron-pillared bentonites (Fe/Bents) were successfully prepared using a ferric chloride precursor. The prepared samples were characterized using XRD, BET and SEM-EDX. The results show that the pillared bentonite physicochemical character is affected by the iron content in a precursor solution. By Fe content variation it is found that Fe content in Fe/Bents is not linearly correlated with the specific surface area and the increased in d001 in which both the maximum specific surface are and d001 reach maximum at the Fe content of 20 mmol/g. Due to the kinetics of photocatalytic activity in phenol removal, it is concluded that in photo-Fenton-like processes. Copyright © 2016 BCREC GROUP. All rights reserved Received: 29th March 2016; Revised: 30th August 2016; Accepted: 1st September 2016 How to Cite: Fatimah, I., Nurkholifah, Y.Y. (2016). Physicochemical and Photocatalytic Properties of Fe-Pillared Bentonite at Various Fe Content. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (3): 398-405 (doi:10.9767/bcrec.11.3.456.398-405) Permalink/DOI: http://doi.org/10.9767/bcrec.11.3.456.398-405
Analysis of Quantitative Structure and Solubility Relationship for Organophospate Active Compounds Linear Model and Cluster Model Approach Fatimah, Is; Nugraha, Jaka
Jurnal ILMU DASAR Vol 8 No 1 (2007)
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Jember

Show Abstract | Original Source | Check in Google Scholar | Full PDF (234.684 KB)

Abstract

Study on quantitative solubility and structure relationship of organophospate pesticide has been conducted. Aim of this research is to analyze relationship between characteristic physical properties (water solubility) of pesticide with molecular structure by a model that can be used to predict physical properties of new compound proposed to be pesticide compound. Analysis was done for 52 organopospate compounds and its water solubility data. The model predicted by 39 fagmental descriptor based on spesific structure of organophospate compound. Analysis used in modeling are cluster analysis, one way analysis of variance (ANOVA) and regression analysis. Result show water solubility of the pesticide compound positive effect by functional group of P=O, N-primer and C=O in the structure. Functional group of S (sulphur), fen (phenil) , C-aromatic, C1-C2, C3-C4, C5-C6, Ortho Aromatic, P=S, C-Cl and log(Mr) decrease water solubility. The model resulted by regression analysis using stepwise and best subset method is : Ln(1+watsol) = 11.0 - 0.352 n C (aromatic) - 5.41 n (P=S) - 1.55 n (C-Cl), F-value = 32.43 (sign. 0,000) , R2 = 0.67 dan S=2.643. The model can be used to predict the organoposphate water solubility.Keywords : QSPR, ANOVA, regression analysis, organophospate pesticide
IMPROVEMENT OF THE PRODUCT AND QUALITY OF POGOSTEMON CABLIN BENTH Allwar, Allwar; fatimah, is; fitri, noor; rubiyanto, dwiarso
Eksakta: Jurnal Ilmu-Ilmu MIPA VOLUME 14, ISSUE 1, February 2014
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam

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Abstract

Pogostemon cablin benth is an economic source of farmer communities which are presence in several provinces in Indonesia. In general, the production and quality of the Pogostemon cablin benth produced by the farmers are still low or under the standard ISO. The chelating method, the influence of pH and adsorption method with activated carbon and montmorilonite  were carried out to improve the production and quality of Pogostemon cablin benth. The results show that the production and the quality tends to be better proved by the color changes to yellow bright, reduced metal contents and an increase in Pogostemon cablin benth
Synthesis of Metal and Metal Oxide Nanoparticles Using Plant Extract: a Review Fatimah, Is
Eksakta: Jurnal Ilmu-Ilmu MIPA VOLUME 17, ISSUE 1, February 2017
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam

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Abstract

Nanotechnology is an emerging technology and it is related to various applications. Related to nanotechnology development, the use of green chemistry concept, low cost technology and sustainability is a must. Synthesis of nanoparticles using plant extract is a developing technique within the scheme. In this paper, study on metal/metal oxide synthesis and its aspects is presented for describing the potency of natural resources for nanoparticle synthesis within green chemistry approach.
The Effect of CaO Weight from Snail Shell (Pilla Ampullacea) On Its Activity As Heterogeneous Catalyst on Biodiesel Conversion Of Bran Oil Fatmawati, Hikmah; Puspitasari, Wellyana; Pujiarti, Rohini; Ardyanti, Sesy; Fatimah, Is
Eksakta: Jurnal Ilmu-Ilmu MIPA VOLUME 18, ISSUE 1, February 2018
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam

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Abstract

Research on utilization of snail (Pilla ampullacea) shell as CaO source for biodiesel conversion from rice bran oil has been investigated. CaO was derived by calcining the shell at pada 900oC for 2 h. The powder obtained from the process was characterized using x-ray diffraction (XRD),  energy dispersive x-ray (EDX), Fourier-Transform Infra-red (FTIR) and surface basicity test. In order to test the activity of catalyst, effect of catalyst weight on the yield of conversion as studied. Results show that the derived material is composed from dominantly CaO and the material demonstrates activity in rice bran conversion into biodiesel. Compared to  NaOH, the CaO catalyst exhibits more effectively active as shown by the higher yield. From varied catalyst weight, it is obtained that at the range of 2.5-10% catalyst weight does not affect significantly to the increasing yield. 
CONTROLLING FACTOR IN ALUMINA PILLARED SAPONITE AND ALUMINA PILLARED MONTMORILLONITE SYNTHESIS Fatimah, Is; Narsito, Narsito; Wijaya, Karna
Indonesian Journal of Chemistry Vol 9, No 1 (2009)
Publisher : Universitas Gadjah Mada

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Abstract

The effect of synthesis parameters to the physical properties of pillared saponite and pillared montmorillonite was examined. Mol ratio of Al to clay mass in the range 1.0 - 5.0 and two different calcination methods; conventional calcination and microwave irradiation method are evaluated as controlling factors to evolution of basal spacing d001 , surface acidity, specific surface area, pore distribution and catalytic activity in phenol hydroxylation reaction. XRD, FTIR, and N2-adsorption/desorption analysis were used to characterize the materials. Results showed that pillarization produced higher basal spacing d001 and surface acidity and crystalinity of materials in all Al/clay ratio and in both of the calcination methods. In general, Al to clay mass ratio and calcination method remarkably influence to the basal spacing d001, surface acidity and material crystallinity, but the effect of these factors to catalyst activity in phenol hydroxylation depends on nature of clay. It is concluded that the activity as catalyst is affected by the presence of ionic species and surface acidity in the minerals.     Keywords: Pillared smectite, surface acidity, calcination
TITANIUM OXIDE DISPERSED ON NATURAL ZEOLITE (TiO2/ZEOLITE) AND ITS APPLICATION FOR CONGO RED PHOTODEGRADATION Fatimah, Is; Sugiharto, Eko; Wijaya, Karna; Tahir, Iqmal; Kamalia, Kamalia
Indonesian Journal of Chemistry Vol 6, No 1 (2006)
Publisher : Universitas Gadjah Mada

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Abstract

The utilization of TiO2 dispersed on natural zeolite (TiO2/Zeolite) for degradation of Congo Red photocatlytically has been performed. The TiO2/Zeolite was prepared by mechanically mixing of 100 g of natural zeolite, which it has been heated at 400oC, with TiO2 powder, the final weight ratio of the mixture was 5% (w/w). The mixture was then calcined at 400oC for 6 hours. The calcined product was characterized using x-ray diffractometry, x-ray fluorescence analysis and gas sorption analysis methods to determine its physicochemical properties changes caused by mixing and calcination. Investigation of Congo Red photodegradation using TiO2/Zeolite was carried out by mixing 25 mL 10-4 M solution of Congo Red with 25 mg of TiO2/Zeolite and irradiating the suspention with UV-light of 350 nm for 10, 20, 30, 40, 50 and 60 minutes, respectively. The characterization results showed that dispertion of TiO2 on zeolite resulted in the increasing of titanium concentration on TiO2/Zeolite. The concentration of Ti on natural zeolite was found to be 0.15%(w/w), meanwhile on TiO2/Zeolite was 2.29% (w/w). From X-ray diffractometry analysis result no information was found that TiO2 was dipersed on natural zeolite. It was caused by overlapping of the reflections of zeolite with reflections of TiO2. On the otherhand, the gas sorption analysis result exhibited that the dispersion of TiO2 on zeolite resulted in the decreasing of total pore volume as well as specific surface area of the natural zeolite. The specific surface areas of natural zeolite and TiO2/Zeolite were 21.98 and 16.74 m2/g, respectively, meanwhile the total pore volumes of natural zeolite and TiO2/Zeolite were 20.10x10-3 and 13.47x10-3 mL/g. The simple kinetic of photodegradation of Congo Red exhibited that the rate of degradation followed a first order kinetic and the reaction rate constant was 0.0017 minute-1.   Keywords: natural zeolite, TiO2, photodegradation, Congo Red