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All Journal Jurnal Pendidikan IPA Indonesia Indonesian Journal of Mathematics and Natural Sciences
S. B. W. Kusuma, S. B. W.
Jurusan Kimia, FMIPA, Universitas Negeri Semarang, Indonesia
Education Mathematics

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ANALISIS HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS ANTIMALARIA SENYAWA TURUNAN QUINOXALIN Noor, M.; Kasmui, K.; Kusuma, S. B. W.
Jurnal MIPA Vol 39, No 1 (2016): April 2016
Publisher : Jurnal MIPA

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Abstract

Quinoxalin merupakan senyawa heterosiklik yang memiliki cincin benzena dan pirazin. Turunan quinoxalin yaitu 3-fenilquinoxalin 1,4-di N-oksida merupakan senyawa antimalaria yang berpotensi dan perlu dikaji. Kajian hubungan kuantitatif struktur dan aktivitas (HKSA) antimalaria senyawa turunan quinoxalin menggunakan deskriptor hidrofobik dan elektronik. Optimasi model senyawa turunan quinoxalin menggunakan metode DFT dengan basis set 6311G menggunakan program Gaussian09W, dan nilai deskriptor diperoleh berdasarkan perhitungan kimia komputasi menggunakan program Gaussian09W dan MarvinBeans. Data deskriptor digunakan untuk menghitung nilai Log 1/IC50 dan dibandingkan dengan data eksperimen dari literatur. Hasil perhitungan dianalisis menggunakan metode regresi multilinear sehingga diperoleh persamaan HKSA:Log 1/IC50 = 31,890+ (-57,754) qC8+ (6,537) qC7+ (-770,959) qC10+ (-10,387) qC15+ (0,008) MSA+ (-0,532) Log P+ (-10,941)HOMO+ (0,285) momen dipol(n=12,R=0,976,R2=0,953,SE= 0,1305, PRESS = 0,174)Berdasarkan persamaan HKSA tersebut, didapatkan prediksi turunan senyawa quinoxalin dengan subtituen pendonor etoksi dan etil yang memiliki aktivitas antimalaria yang lebih baik daripada pendonor metoksi dan metil.Quinoxaline is a heterocyclic compound containing a ring complex made up of benzene and pyrazine. Its derivative 3-phenylquinoxaline 1,4-di N-oxide is a potential antimalaria and need to be developed. Quantitative Structure-Activity Relationship Analysis (QSAR) of quinoxaline as antimalarial drug has been conducted using electronic and hydrofobic descriptor. Optimization of an analog quinoxaline using DFT method with 6311G for basis set. The calculation  for optimization obtained by using Gaussian09W program. Descriptor  values obatained  by using Gaussian09W program and Marvin Beans. Log 1/IC50 is determined from descriptor values and compared with the experimental data. The equation is:Log 1/IC50 = 31,890+ (-57,754) qC8+ (6,537) qC7+ (-770,959) qC10+ (-10,387) qC15+ (0,008) MSA+ (-0,532) Log P+ (-10,941)HOMO+ (0,285) moment dipole (n=12,R=0,976,R2=0,953,SE= 0,1305, PRESS = 0,174)Based on QSAR equation, the potential of quinoxaline prediction compounds with ethoxy and ethyl group subtituent yield good antimalarial activity than methoxy and methyl subtituent.
The Development of Inquiry by Using Android-System-Based Chemistry Board Game to Improve Learning Outcome and Critical Thinking Ability Wardani, S.; Lindawati, L.; Kusuma, S. B. W.
Jurnal Pendidikan IPA Indonesia Vol 6, No 2 (2017): October 2017
Publisher : Program Studi Pendidikan IPA Fakultas Matematika dan Ilmu Pengetahuan Alam (FMIPA)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/jpii.v6i2.8360

Abstract

Student’s critical thinking and their learning result depend on learning design and student’s activity.  Most students use their spare time with playing game.  Students are more challenged by the difficulty in playing game rather than facing the difficulty in understanding the lesson.  This phenomenon is the basic reason of the researchers to develop a game that has the essence of the subject matter, namely Chemistry Board Game (CBG) or we can call it with Al Chemist Knight.  This research aims to develop a suitable digital game based on android system. In this research media was used to improve the cognitive learning and critical thinking. It also has purpose to evaluate the response of learners in learning chemistry through alkane derived compound topic. The development of this game was adapted from the procedure of game development process in mobile 3D presentation.  The collection of evaluation data model applied was pre test and post test in trial class.  The result showed that in the pretest the learning result average was 34.35 with classical target of 5%.  While the posttest learning result average was 80.51 with  classical target of 85%. The  n-gain factor was 0.703.  Based on the result of the students questionnaire data analysis, 3.025 of students responded positively to the implementation of CBG.  A CBG media makes an assessment of critical thinking, in which the indicator of critical thinking which are focusing on questions get 3,1 point, giving arguments get 2.95, asking and answering questions get 3.0, making decision get 3.05, and the average score of critical thinking indicator is 3.025 which belongs to good category. Based on the students’ response questionnaire, we get the average score of 3.3 or 82.5% which is classified in good category.
ANALISIS HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS ANTIMALARIA SENYAWA TURUNAN QUINOXALIN Noor, M.; Kasmui, K.; Kusuma, S. B. W.
Indonesian Journal of Mathematics and Natural Sciences Vol 39, No 1 (2016): April 2016
Publisher : Universitas Negeri Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Quinoxalin merupakan senyawa heterosiklik yang memiliki cincin benzena dan pirazin. Turunan quinoxalin yaitu 3-fenilquinoxalin 1,4-di N-oksida merupakan senyawa antimalaria yang berpotensi dan perlu dikaji. Kajian hubungan kuantitatif struktur dan aktivitas (HKSA) antimalaria senyawa turunan quinoxalin menggunakan deskriptor hidrofobik dan elektronik. Optimasi model senyawa turunan quinoxalin menggunakan metode DFT dengan basis set 6311G menggunakan program Gaussian09W, dan nilai deskriptor diperoleh berdasarkan perhitungan kimia komputasi menggunakan program Gaussian09W dan MarvinBeans. Data deskriptor digunakan untuk menghitung nilai Log 1/IC50 dan dibandingkan dengan data eksperimen dari literatur. Hasil perhitungan dianalisis menggunakan metode regresi multilinear sehingga diperoleh persamaan HKSA:Log 1/IC50 = 31,890+ (-57,754) qC8+ (6,537) qC7+ (-770,959) qC10+ (-10,387) qC15+ (0,008) MSA+ (-0,532) Log P+ (-10,941)HOMO+ (0,285) momen dipol(n=12,R=0,976,R2=0,953,SE= 0,1305, PRESS = 0,174)Berdasarkan persamaan HKSA tersebut, didapatkan prediksi turunan senyawa quinoxalin dengan subtituen pendonor etoksi dan etil yang memiliki aktivitas antimalaria yang lebih baik daripada pendonor metoksi dan metil.Quinoxaline is a heterocyclic compound containing a ring complex made up of benzene and pyrazine. Its derivative 3-phenylquinoxaline 1,4-di N-oxide is a potential antimalaria and need to be developed. Quantitative Structure-Activity Relationship Analysis (QSAR) of quinoxaline as antimalarial drug has been conducted using electronic and hydrofobic descriptor. Optimization of an analog quinoxaline using DFT method with 6311G for basis set. The calculation  for optimization obtained by using Gaussian09W program. Descriptor  values obatained  by using Gaussian09W program and Marvin Beans. Log 1/IC50 is determined from descriptor values and compared with the experimental data. The equation is:Log 1/IC50 = 31,890+ (-57,754) qC8+ (6,537) qC7+ (-770,959) qC10+ (-10,387) qC15+ (0,008) MSA+ (-0,532) Log P+ (-10,941)HOMO+ (0,285) moment dipole (n=12,R=0,976,R2=0,953,SE= 0,1305, PRESS = 0,174)Based on QSAR equation, the potential of quinoxaline prediction compounds with ethoxy and ethyl group subtituent yield good antimalarial activity than methoxy and methyl subtituent.
Co-Authors Kasmui -, Kasmui Lindawati, L. M. NOOR S. Wardani, S.