VISUALI ZATION OF THE SYNTHETIC PATHWAY OF SULFANILAMI DE FROM DR. STONE ANIME SEASON 1 EPISODE 15 USING DFT METHODS AND ASM APPROACHES

• Main Author: Awal, Jumaidil
• Format: Theses
• Language: Indonesia
• Subjects: Kimia
• Online Access: https://digilib.itb.ac.id/gdl/view/71550
• Institution: Institut Teknologi Bandung

Despite their rapid development and advancement, computational chemistry methods are yet to be widely used in developing chemistry lesson materials. More research are needed in this particular .fi eld. Therefore, a research entitled Visualization of the Synthetic Pathway of Sulfanilarnide from Dr. Stone Anime Season 1 Episode 15 Using DFT Methods and ASM Approaches has been conducted, which was divided into three main parts: (1) the relevance study of the aforementioned episode to high schrJ ol chemistry learning in Indonesia, (2) the prod uction of a visualization of the sulfanilamide synthesis as narrated in the episode by means of quantum chemical computations using DFT (densityfun ctional theory) methods and ASM (activation strain model) appr oaches via the implementation of ORCA/autoDIAS sof tware tandem, as well as (3) theprelim inary field test of a chemistry teaching material developed from the obtained visualization. Based on the relevance study, it was foun d that chemistry-specific contents occupied a frequenc y proportion of 49.6% and a duration proportion of· 41.3% of the total .fr equency and duration of .science-specif ic contents in the anime Dr. Stone. O.f this total proportion o.f specfic chemistry content, the content in season 1 episo de 15, whichfocus es on the sulfa drug, occupied the second highest and third longest proportions compa red to other episodes. Re_f erring to the Kompetensi Dasar (basic competences) of the Revised 2013 Citrriculum and the Capaian Pembelajaran (learning outcomes) of the Merdeka Curriculum, the content on sulfa drugs was .f ound to be relevant to KD X/113.10 on benzene and its derivatives as well as CP Phase F Understanding o.f Chemistry on organic chemistry. From the prod uction of synthetic stage visualizations of sitlfanilamide, as an example of sulfa drugs, based on intrinsic reaction coordinate (/RC) compittation using the DFT method at the B3LYP-D4!6-311++G(d,p) theory level and the ASM appr oach through the implementation of" the activation-strain analysis (ASA) module, visualizations were obtained in theform of (1) /RC curves, (2) ASA curves, and (3) 3D reaction mechanism videos .f or each step of the sulfanilamide synthesis. The synthesis of sulfanilamide in the anime "Dr. Stone" uses aniline as a precursor , resulting in 4 synthesis stages from aniline to sulfanilamide: (1) acetanilide synthesis, (2) synthesis of p-acetamidobenzenesuljrJ ny l chloride, (J ) synthesis of .JJ -acetamidobenzenesulfonamide, and (4) sulfanilamide synthesis. For reactions in stages ( 1), (J ), and (4), / RC and ASA citrves as well as J D reaction mechanism videos were obtained and found to be repr esentative enough with energy prof iles that can be projected to synthesis techniques as described in the literature. However,for stage (2) reaction, repr esentative /RC and ASA citrves have not yet been obtained based on the mechanism pr oposed by the literature. Neve rtheless, the J D videofor stage (2) still repr esents a good transition from the reactant system to the prod uct system, and could be developed along with other J D videos to the next stage, which was the development of teaching material prototypes . The develope d reaction mechanism videos that were turned into a teaching material prototype in theform of lesson videos integrated with quizzes has potential to be .further developed based on the results o.f the Wilcoxon signed-ranks test onpr e-test and post-test data of the respondents involved in the initial prototype teaching material trial. From this initial trial, a sample size of 11 was obtained with a smaller sum value o.f 0, which wasfoun d to be lower than the critical sum value .f or a sample size of 11, which is J . This indicates that there is a significant d fference between the pre-test and post-test results of the respondents after watching the teaching material video that was interspersed with the computed reaction mechanism videos of su(f anilamide synthesis by DFT methods and ASM appr oaches.