This Research aims to study Quantitative Structure-Activity Relationship (QSAR) of pyrazoline analogues, designing the new potential compounds as antiamoebic and study the interactions between the new compunds and the drugs target by molecular docking approach. This research was a theoritical research using computational chemistry method. The object of research was 21 novel of 1-N-substituted pyrazoline analogues of thiosemicarbazones with their antiamoebic biological activity. The data of research was obtained from quantum chemistry calculation and statistically analysis using Multiple Linear Regression (MLR). The resulting QSAR equation was Log IC50 = 0.869 + (0.081 x TPSA) + (0.018 x HF) + (0.527 x E-HOMO) + (3.378 x E-LUMO) + (-16.938 x Glob) + (0.234 x LogP), with statistic parameters of n = 21; R2 = 0.933; SEE = 0.14558; FHitung/FTabel = 8.607; PRESS = 0.491. This equation was used as a basic for designing and predicting the new antiamoebic compounds of pyrazoline analogues. The design of new compound of two lead compounds with the Topliss resulted 5 of 18 new compounds having theoretical better activity than the lead compound. Molecular docking study indicated that all of the best compounds have ability to bind to drug target macromolecule.

The purpose of research was to determine the problem solving skill of basic chemical laws at tenth-grade senior high school of  through the application of guided inquiry learning models. The ability is known through a three tier multiple choice diagnostic test. This research was an experimental quasi with pretest-posttest control group design. The  sample consisted of 107 students consisting of 56 experimental class  and 51 control class. Based on the results of the calculation of the F test that F count> F table (10.72> 3.93) with α = 0.05. This means that there was an influence of the application of the guided inquiry learning model to students' ability to solve problems in the basic laws of chemistry. 70.71% of students in the experimental class can understand the problem, plan the solution, carry out the solution, and re-examine the results of the problem solving. Meanwhile, control class students were unable to solve very high problems, namely 24.5% students..

Tanpa disadari, setiap siswa senantiasa memiliki miskonsepsi pada materi kimia. Diganosa ‎miskonsepsi sejak dini sangat penting untuk menghentikan miskonsepsi agar tidak berpemngaruh ‎pada konsepsi beikutnya dan hasil belajar yang buru. Penelitian deskriptif ini bertujuan untuk ‎mendiagnosa miskonsepsi siswa SMA Negeri 1 Telaga Gorontalo pada materi termokimia dengan ‎cara tes diagnostik pilihan ganda dua tingkat. Sebanyak 25 soal pilihan ganda tersebut telah valid ‎dan reliabel serta diujikan pada 65 siswa SMA tersebut. Hasil yang diperoleh bahwa jumlah siswa ‎yang mengalami miskonsepsi sangat rendah, rendah, dan sedang masing-masing adalah 60 (92%), ‎‎3 (5%), dan 2 (3%). Sementara, miskonsepsi dengan kategori tinggi dan sangat tinggi tidak ‎ditemukan. Indikator materi yang mengalami miskonsepsi banyak adalah soal tentang teori atau ‎konsep dibandingkan dengan perhitungan. Teori tersebut tentnag membedakan jenis reaksi ‎eksoterm dan endoterm dan membedakan macam-macam perubahan entalpi molar. Hal ini ‎mengindikasikan bahwa siswa lebih banyak menghafal daripada memahami materi termokimia. ‎Hasil diagnosa ini dapat dijadikan acuan untuk pembelajran termokimia agar guru dapat ‎menerapkan cara yang tepat dalam pembelajaran

BIMEVOX had the potential to play an important role in solid oxide fuel cell, especially as the electrolyte due to their high ionic conductivity. In this work, oxide ion migrations of γ-Bi2VO5.5 and BIMEVOX were simulated using density function theory (DFT), Mott-Littleton method, and molecular dynamic simulation. In γ-Bi2VO5.5, there were oxygen vacancies at the equatorial position in the vanadate layers. These vacancies could facilitate oxide ions migration. The Enthalpy of the oxide migration for γ-Bi2VO5.5 based on DFT calculation was 0.38 eV, which was in a good agreement with experimental results. The γ-Bi2VO5.5 can be stabilized by partial substitution of V5+ with Cu2+, Ga3+, and Ta5+. Defect simulation results using the Mott-Littleton method showed that the total maximum energies of region II were achieved at concentrations of 10, 10, and 20%, respectively for Cu2+, Ga3+, and Ta5+. The calculated concentration of Cu2+, Ga3+, and Ta5+ were in a good agreement with those of experiment results, where the highest ionic conductivity obtained. The results of the molecular dynamics simulation showed that the activation energies of oxide ion migration in γ-Bi2VO5.5 and BIMEVOX (ME = Cu and Ta) respectively were 0.19, 0.21, and 0.10 eV, close to experimental values.

The aim of this research was to study the stability of the structure of the ZrO2 doped with trivalent oxide Zr1-xMxO2-δ (M = La3+, Nd3+, Sm3+, Eu3+, Gd3+, Y3+, Er3+, Yb3+ and Lu3+ through atomistic modelling and bond valence sum method. Short range potential used in this study was Buckinghams’ potential. Result of geometry optimization at constant pressure shown both cell parameters of ZrO2 was in good agreement with experimental results because of the difference was only 0.11%. Increasing the concentration and the size of substituting dopant of ZrO2 makes the lattice energy of the doped structure was more positive so that the stability of the doped ZrO2 structure decreases. The decrease in the stability of ZrO2 doped with Y3+, Er3+, Yb3+ and Lu3+was smaller than ZrO2 doped with La3+, Nd3+, Sm3+, Eu3+ and Gd3+. BVS results shown that the structure of ZrO2 doped with La3+was not appropriate because it has different value of BVS was more than 0.1