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61	CHEMISTRY AND MATERIAL SCIENCES	ABS-208
Tunable Physical Properties of Starch-Based Hydrogels Synthesized by Freeze-Thaw Technique Halida Rahmi Luthfianti (1), William Xaveriano Waresindo (1), Marathur Rodhiyah (2), Dhewa Edikresnha (2), Fatimah Arofiati Noor (2), Elfahmi (3), Khairurrijal Khairurrijal (2,4,*) 1) Doctoral Program of Physics, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha, 10, Bandung, 40132, Jawa Barat, Indonesia 2) Department of Physics, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jalan Ganesa 10, Bandung 40132, Indonesia 3) Department of Pharmaceutics, School of Pharmacy, Institut Teknologi Bandung, Jalan Ganesa 10, Bandung 40132, Indonesia 4) Department of Physics, Faculty of Science, Institut Teknologi Sumatera, Jalan Terusan Ryacudu, Lampung Selatan 35365, Indonesia *Email: krijal[at]itb.ac.id Abstract Hydrogels are three-dimensional (3D) polymer networks that are water-absorbent, insoluble, flexible, and biocompatible. The freeze-thaw technique is a physical cross-linking method for hydrogel synthesis, which can form a stable structure and non-toxic materials. Biopolymer hydrogel is a solution to environmental pollution due to synthetic polymers, which have been widely used as hydrogel base materials. In this paper, uses starch composite as precursor solutions for the preparation of hydrogels. The precursor solution ratios (potato starch/gelatin) of 20:0, 20:1, 20:2, 20:3, and 0:20 were labeled as SCG1, SCG2, SCG3, SCG4, and SCG5, respectively. Morphological results showed a cross-linking between polymer chains (solid area) and porosity (liquid area). During the freeze-thaw process, gelatin interfered with a cross-linking process of the hydroxyl group so that the solid area decreased and the pore size irregular and enlarged. The swelling degree increased with the gelatin composition, while the weight loss showed the opposite result. SCG1 showed the highest swelling degree value of around 319.39 +- 35.05% and lower weight loss of about 19.26 +- 9.91%, which showed a higher degradability. SCG1 has good mechanical properties with elastic modulus, onset strain, and onset stress of about 1.4 +- 0.33 MPa, 145.11 +- 47.28%, and 1.62 +- 0.08 MPa, although the highest compressive strength was shown by SCG5 of 25.63 +- 2.75 MPa. In general, we found that the physical properties of starch hydrogels showed a potential to be used as a functional food matrix: higher swelling degree, modulus elasticity, and degradability. For gelatin hydrogels, it is necessary to modify the process to become a potential matrix as a media delivery. Keywords: Starch- Hydrogel- Physical properties- Freeze-thaw. Share Link | Plain Format | Corresponding Author (Halida Rahmi Luthfianti)

62	CHEMISTRY AND MATERIAL SCIENCES	ABS-222
Anion Replacement in Preparation of Spin-crossover Iron(II) Complexes Djulia Onggo1, Irma Mulyani1, Elvina L. Khairunissa1, Anris Y. Simorangkir1 and Deana Wahyuningrum2 1.Inorganic and Physical Chemistry Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha No. 10, Bandung 40132 Indonesia. 2.Organic Chemistry Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha No. 10, Bandung 40132 Indonesia. Abstract The spin crossover (SCO) phenomenon is an attractive magnetic property for the development of inorganic smart materials, such as molecular sensors dan memory devices. One of the inorganic compounds that have been widely studied its SCO properties is the iron(II) complexes, due to the 3d electrons of iron(II) being able to change from high spin state (HS, paramagetic) to low spin state (LS, diamagnetic) or vice versa. The energy difference between the HS and LS states is on the order of the magnitude of the thermal energy kT. These changes can occur due to external influences such as temperature, light irradiation, and pressure. The SCO phenomenon is mainly influenced by moderate ligand field strength, as found in triazole derivatives ligands. In addition, counter anions in the iron(II) complexes also significantly contribute to the physical characteristic of SCO in terms of transition temperature and transition pattern. Here, we have prepared two SCO compounds, i.e first the [Fe(Htrz)3](CF3CO2)2 complex (Htrz is 4-H 1,2,4-triazole) was synthesized form [Fe(Htrz)3]SO4 complex in which the sulfate anion replaced by tetrafluoroacetate from its Barium salt. The complex [Fe(Htrz)3](CF3CO2)2 is diamagnetic violet solid and changes to white on heating. The second complex is [Fe(Atrz)3](S4O6) complex (Atrz is 4-NH2 1,2,4 triazole) that synthesized from [Fe(Atrz]Cl2 in which the chloride anion replaced by tetrathionate from its sodium salt. The [Fe(Atrz)3](S4O6) complex is a paramagnetic white solid at room temperature and changes to violet on cooling. Keywords: anion replacement, SCO, iron(II) complexes Share Link | Plain Format | Corresponding Author (Djulia Onggo)

63	CHEMISTRY AND MATERIAL SCIENCES	ABS-229
The Isolation and Characterization of Lignin by Alkali Pretreatment Black Liquor of Rice Husk (Oryza sativa) Using Klason Method Piping Nur Aripin(a), Deana Wahyuningrum(a*), and Rani Kurnia(b). a)Department of Chemistry, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung *e-mail: deana[at]itb.ac.id b)Department of Petroleum Engineering, Faculty of Mining and Petroleum Engineering, Institut Teknologi Bandung Abstract Rice (Oryza sativa) is one of the agricultural commodities in Indonesia, especially in West Java, such as Majalengka. In 2021, the Central Bureau of Indonesia^s statistics released a production date that West Jawa produces 9.12 million tons of rice. There are potential biopolymers of biomass (such as husk, straw, and brand) that have lignin contents. It^s husk (19,2%), straw (15,6%) and brand (11,5%). In this study, lignin has been isolated with variation alkaline pretreatment black liquor of rice husk by precipitation with sulphuric acid as alternative raw lignin materials. The chemical properties of the isolated lignins were analyzed with their chemical properties, such as lignin content, FT-IR spectra, and LC-MS. The results showed that lignin isolated sodium hydroxide 15% has a lignin content of 22.88%, highest than other concentration variations of 5% alkaline (16.84%) and 10% alkaline (19.82%). The FTIR^s spectrum showed wave number OH phenolic (3481.5 cm-1), -C=C- vibration of aromatic (1635,6 cm-1), C-O streching of syringyl and guauasyl (1224.8 cm-1) groups. Meanwhile, analysis of LC-MS showed that m/z 107 (p-cresol), m/z 151 (guanine and vanillin), m/z 163 (eugenol), m/z 177 (conyferyl aldehyde), and m/z 225 (syringyl aldehyde). Based on the characterization of lignin isolated with typical characteristics of commercial lignin, it can be developed as raw materials for surfactant and bioenergy. Keywords: Lignin- Rice Husk- Alkaline Concentration- Klason Method. Share Link | Plain Format | Corresponding Author (Piping Nur Aripin)

64	CHEMISTRY AND MATERIAL SCIENCES	ABS-231
The Synthesis of Flavons Compounds Using Imidazolium-Based Ionic Liquid Using The Microwave Irradiation Method And Its Application In Practicum Modules for Senior High School/Its Equivalents Allysa Pratiwi Putri (a), Deana Wahyuningrum (a) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung *deana[at]itb.ac.id Abstract This research used the reaction of the flavone compounds synthesis with ionic liquids as a mediator using the MAOS (Microwave-Assisted Organic Synthesis) method. The ionic liquids were used as a medium because they have a relatively high solubility in organic and inorganic compounds. Another advantage of ionic liquids is that they can be recycled and are environmentally friendly to support the concept of green chemistry. The ionic liquid medium used was [BMIM]Cl, [DMIM]Br, and [EMIM]Br. The ionic liquids were synthesized by reacting haloalkanes (n-chlorobutane, n-bromodecane, n-bromoethane) and 1-methylimidazole in a ratio of 1:1 with the aid of microwave radiation power. TLC, FT-IR and NMR characterized the formed ionic liquid. Then purified by esterification and followed by distillation. The ionic liquids synthesis takes place at a temperature varying from 50 oC to 80 oC for 21 to 80 minutes. The resulting ionic liquids are [BMIM]Cl, [DMIM]Br, and [EMIM]Br, with the yields obtained are 24%, 87%, and 48%, respectively. The TLC test for imidazolium ion liquid carried out in chloroform: methanol (9:1, v/v) eluent system gave a different Rf value than the precursors. Based on the FT-IR spectrum measurements, the imidazolium-based ionic liquids have typical vibrational peaks of the C-N group at wavenumbers of 1164 cm-1 to 1184 cm-1, and the vibration of the C=N group at a wavenumber of 1570 cm-1. The results of the 1H NMR spectra (500 MHz, CDCl3) of the imidazolium-based ionic liquids showed typical singlet proton signals of the aromatic groups (&#61540-= 7.5-10.5 ppm) and proton signals of the aliphatic groups (&#61540-= 1.3-4.2 ppm). The flavone compounds were synthesized by reacting a ditone compound (1-(2-hydroxyphenyl)-3-phenyl-1,3-propandione) in the medium of imidazolium-based ionic liquids using the MAOS method. The research results were used to develop a chemistry practicum module for high school/equivalent students to improve their comprehension of organic chemistry topics. Keywords: Flavones, imidazolium-based ionic liquids, MAOS, method, 1-(2-hydroxyphenyl)3-phenyl-1,3-propandione, chemistry practicum module Share Link | Plain Format | Corresponding Author (Allysa Pratiwi Putri)

65	CHEMISTRY AND MATERIAL SCIENCES	ABS-234
Construction of Recombinant Plasmid pHIPX4-RBDTAA-Foldon and Expression of Protein RBD From SARS-CoV-2 on Hansenula polymorpha Mutiara Mila Kamilah (a), Fernita Puspasari (a), Ihsanawati (a), Dessy Natalia (a*) Chemistry Department, Bandung Institute of Technology Jalan Ganesha 10, Bandung 40132, Indonesia *dessynatalia[at]itb.ac.id Abstract In 2020, Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) caused a global pandemic. The development of Covid-19 vaccines that can be used globally is the most effective strategy to end the pandemic. One of the widely used vaccine platforms is protein subunit-based vaccines. Studies have shown that neutralizing antibodies specific to Receptor Binding Domain (RBD) can bind to ACE2, thereby blocking the binding of the RBD to ACE2 and hence RBD is an ideal antigen for protein subunit-based vaccine. Current protein S or RBD-based vaccines use insect and mammalian host cells which require high costs and a lengthy process. Methylotropic yeasts such as H. polymorpha can be an alternative expression system as it has several advantages such as faster production at a relatively lower cost and has a post-translational modification system. The aims of this research were to construct recombinant plasmid containing RBD gene, to generate a H. polymorpha containing the RBD gene, and to produce the RBD protein. Recombinant plasmid pHIPX4-RBDTAA-Foldon has been successfully constructed and verified by restriction enzyme analysis and nucleotide sequence analysis. The resulted pHIPX4-RBDTAA-Foldon plasmid was linearized by the ScaI restriction enzyme and transformed into the H. polymorpha. Integration of the plasmid into the H. polymorpha NCYC495 chromosome has been successfully carried out as confirmed by PCR colony analysis. Subsequently, recombinant RBD has been expressed as an extracellular protein using BMMY medium containing 2% methanol as an inducer for 72 hours. SDS-PAGE analysis revealed that RBD protein has been expressed as a protein with molecular weight of ~23 kDa bands. Enzyme-Linked Immunosorbent Assay (ELISA) showed the resulted recombinant RBD can recognize mouse anti-RBD antibodies. Thus, RBD of SARS-CoV-2 produced in yeast H. polymorpha could be a potential candidate vaccine for Covid-19. Keywords: SARS-CoV-2, vaccine, Receptor Binding Domain, H. polymorpha Share Link | Plain Format | Corresponding Author (Mutiara Mila Kamilah)

66	CHEMISTRY AND MATERIAL SCIENCES	ABS-238
Effect of Ethanol and Triacetin as Extraction Solvent on the Preparation of Turmeric (Curcuma longa) Formulated Oleoresin Dewi Sulistyaningtyas (a), Eka Chandra Nur Rani (b), Widiastuti Setyaningsih (a,c), Tutik Dwi Wahyuningsih (b*,c) a) Department of Food and Agricultural Food Product Technology, Faculty of Agricultural Technology, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia b) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia *tutikdw[at]ugm.ac.id c) Indonesia Natural Dye Institute (INDI), Integrated Research and Testing laboratory (LPPT), Universitas Gadjah Mada, Yogyakarta 55281, Indonesia Abstract Oleoresin is usually used in the industry as a food coloring and flavoring agent because it is easy to homogenize and handle with a low risk of contamination. Oleoresin is extracted from herbs and spices by organic solvent. This study aimed to determine the effect of ethanol and triacetin as the extraction solvent on the formulated turmeric oleoresin characteristics such as curcumin content, viscosity, water solubility, and color factors (LAB). The turmeric powder sample was macerated by solvent 1: 10 (w/v) with 70% ethanol, 96% ethanol, and triacetin mixed with ethanol and water. The utilization of triacetin achieved higher curcumin content of 5319.1 mg L-1 for a maceration time of 6 h. Whereas the same maceration time of ethanolic extracts resulted in 1513.02 mg L-1 (70% ethanol) and 4952.63 mg L-1 (96% ethanol). However, the evaporation condition used was not applicable for triacetin, thus preparation was continued with 96% ethanol. Formulation to obtain optimized formulation generated by Design Expert Software. Turmeric oleoresin, polysorbate 80, and propylene glycol have a positive effect which increases curcumin content. Turmeric oleoresin and polysorbate 80 also increase the viscosity of the formula. While propylene glycol has a negative effect on viscosity that indicates the addition will decrease viscosity. Keywords: Curcumin- Oleoresin- Solvent- Oleoresin- Natural Food Colorant Share Link | Plain Format | Corresponding Author (Dewi Sulistyaningtyas)

67	CHEMISTRY AND MATERIAL SCIENCES	ABS-245
Modification of Navicula salinicola NLA Frustule Biosilica with 3-aminopropyl trimethoxy-silane for Protein Purification Matrix Grace Wara Patiung (a), Rindia Maharani Putri (a), Yanti Rachmawati (a), Sari Dewi Kurniasih, (a) Zeily Nurachman (a*) a) Dapartmen of Chemistry, Bandung Institute of Technology *) zeilynurachman[at]itb.ac.id Abstract Keywords: Navicula salinicola NLA, Modification, Protein Purification Matrix Share Link | Plain Format | Corresponding Author (Grace Wara Patiung)

68	CHEMISTRY AND MATERIAL SCIENCES	ABS-246
Preparation of High-Purity Aceh Curcuma Longa Powder by Maceration Method using Various Solvents of Extraction Vina Aida Roza (a), Lilia Setya Wahyuni (a), Indriana Kartini (a,b), Tutik Dwi Wahyuningsih (a*,b) a) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia. *tutikdw[at]mail.ugm.ac.id b) Indonesia Natural Dye Institute (INDI), Integrated Research and Testing laboratory (LPPT), Universitas Gadjah Mada, Yogyakarta 55281, Indonesia Abstract Curcumin is an active compound obtained from the extraction and isolation process of turmeric (Curcuma longa Linn.) with organic solvents. Curcumin has many uses, both in the food and cosmetic and pharmaceutical fields, because it has high bioactivity. This study aims to determine the optimal solvent for extracting curcuminoids from Aceh turmeric powder and proceed with the recrystallization process to obtain high-purity curcumin powder. Firstly, the Aceh turmeric samples were macerated with various solvents such as ethanol, (n-hexane-ethanol), and (n-hexane-ethyl acetate) for 3 hours to get the highest curcuminoid content. The result showed that n-hexane/ethanol was the best solvent with the highest percentage of curcumin content of 44.5%. Next, the extraction of curcuminoids from Aceh turmeric was carried out by stepwise maceration using hexane (1:10 (w/w)) for 13 hours under stirring and followed by ethanol (1:4 (w/w)) for 7 hours. The resulting extract powder showed a higher percentage of curcumin at 49.8%, with a yield of 9.18%. Finally, the isolation of curcumin from curcuminoids was performed by recrystallization using an azeotropic solvent (ethanol/ethyl acetate). The recrystallized powder was obtained as a yellow-orange color of the powder with increasing the percentage of curcumin content to 91% in a yield of 13.8%. Keywords: recrystallization, curcumin, maceration, turmeric powder Share Link | Plain Format | Corresponding Author (Vina Aida Roza)

69	CHEMISTRY AND MATERIAL SCIENCES	ABS-250
Quantitative Determination of Thiol Functionalized Silica Particles by Ellman^s Reagent Malikhatun Ni^mah1, Muhammad Ali Zulfikar2, Zeily Nurachman1, Corresponding author: zeily@itb.ac.id ITB Abstract To functionalize silica particles, tetraethoxysilane was reacted with 3-mercaptopropyl trimethoxysilane in basic condition to generate a golf ball-like particles that may be apply as functional materials for immunoglobulin G purification. Here, we quantitatively determined the amount of thiol group in a golf ball-like particles by the use of Ellman^s reagent. The functionalized silica particles were identified by the appearance of C-S binding vibration mode at wavelength number at 692 cm-1, Si-C vibration at 1340 cm-1, S-H vibration at 2550 cm-1, and at 2900 cm-1 for stretching of C-H of methylene. The abundance of S atom in modified nanoparticle silica observed by EDX was 11.22%. The concentration of thiol group in golf ball-like silica particles is 28.7 mmol/gram silica particles by the linear regression analysis of concentration thiol is y = 0.0118x + 0.003 with a correlation coefficient of 0.9993. Keywords: Golf ball-like thiol-functionalized, Thiol concentration, Ellman^s reagent, IgG purification. Share Link | Plain Format | Corresponding Author (Malikhatun Nimah)

70	CHEMISTRY AND MATERIAL SCIENCES	ABS-253
The Mechanical Properties of the Freeze-Thawed Composite Hydrogel of Polyvinyl Alcohol/Citrus hystrix Leaves Extract Kusjuriansah Kusjuriansah (a), Nabila Asy Syifa (a), Halida Rahmi Luthfianti (b), William Xaveriano Waresindo (b), Dian Ahmad Hapidin (a), Tri Suciati (c), Dhewa Edikresnha (a,d), Khairurrijal Khairurrijal (a,d,e*) a) Department of Physics, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jalan Ganesa 10, Bandung 40132, Indonesia b) Doctoral Program of Physics, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jalan Ganesa 10, Bandung 40132, Indonesia c) Department of Pharmaceutics, School of Pharmacy, Institut Teknologi Bandung, Jalan Ganesa 10, Bandung 40132, Indonesia d) University Center of Excellence - Nutraceutical, Bioscience and Biotechnology Research Center, Institut Teknologi Bandung, Jalan Ganesa 10, Bandung 40132, Indonesia e) Department of Physics, Faculty of Sciences, Institut Teknologi Sumatera, Jl. Terusan Ryacudu, Lampung 35365, Indonesia *krijal[at]itb.ac.id Abstract Citrus hystrix leaves are reported to be used as antibacterial, anti-inflammatory, antioxidant, hepatoprotective effects, and anticancer. On the other hand, polyvinyl alcohol (PVA) is a synthetic polymer that can be used as a raw material for synthesizing hydrogels for biomedical applications. This paper reports the loading of Citrus hystrix leaves extract in PVA hydrogel synthesized by using the freeze-thaw method for various combinations of composite hydrogel, namely 10:0, 10:1, 10:2, 10:3, 10:4, and 10:5 sample. The density of the precursor solutions increased in value as the fraction of the extract solution increased. On the other hand, an increase in the fraction of the extract solution resulted in a decrease in the viscosity and pH of the precursor solutions. The composite hydrogel showed the swelling degree which tended to decrease with the increase in the extract fraction. An increase in the extract fraction then resulted in a decrease in the gel fraction of the composite hydrogel, as evidenced in the results of the gel fraction test. The compressive strength of the composite hydrogel decreased as the extract fraction increased. Thus, this paper shows that the composite hydrogel has the potential to be applied in the biomedical field according to the benefits of Citrus hystrix leaves. Keywords: Freeze-thaw, Polyvinyl alcohol, Hydrogel, Citrus hystrix, Swelling degree, Compressive strength Share Link | Plain Format | Corresponding Author (Kusjuriansah Kusjuriansah)

71	CHEMISTRY AND MATERIAL SCIENCES	ABS-255
Advanced Optimization of Variations in Synthesis Method and Effects of Ionic Liquid Medium in the Synthesis of Meloxicam as non-Steroidal anti-Inflammatory Drug Rozkananda Rohmah Agustin (a), Dr. Deana Wahyuningrum (a*), Aep Patah, Ph.D. (a) a) Departement of Chemistry, Faculty of Mathematics and Natural Sciences, Bandung Institute of Technology, Ganesha Street 10, Bandung, 40132, Indonesia *e-mail: deana[at]itb.ac.id Abstract Meloxicam is an oxicam derivative compound belonging to the NSAIDs (non-Steroidal anti-Inflammatory Drugs) group. Meloxicam has antiinflammation, analgesic, and antipyretic activity by inhibiting cyclooxygenase-2 to decrease the synthesis of prostaglandins in the body. Meloxicam can be used as osteoarthritis and rheumatoid arthritis drug medication orally. The meloxicam synthesis method published by previous researchers has several weaknesses, such as long reaction time, low %yield, and high production costs. Therefore, optimization to increase the %yield of the product while reducing production costs is required. Optimization in the solid phase includes irradiation time, preheating time, and total reaction time. At the same time, the solution phase includes optimization of temperature and total reaction time. Then for the solution phase ionic liquid mediated, there is an additional optimization in the form of the percentage of ionic liquid added. In this study, the optimization of the meloxicam synthesis method is performed by variations in solution phase, solid phase, and solution phase mediated ionic liquids, which are OMImBr (1-octyl-3-methylimidazolium bromide), DdMImBr (1-dodecyl-3-methylimidazolium bromide), BMImI (1-butyl-3-methylimidazolium iodide), DMImCl (1-decyl-3-methylimidazolium chloride), OMImBF4 (1-octyl-3-methylimidazolium tetrafluoroborate), OMImCl (1-octyl-3-methylimidazolium chloride), and OMImPF6 (1-octyl-3-methylimidazolium hexafluorophosphate). The ionic liquids can act as Lewis acids, so it is possible to catalyze the reaction synthesis of meloxicam. The meloxicam product has been successfully characterized using TLC, melting point, FTIR, 1H-NMR, and 13C-NMR spectroscopy. In the solution phase, the meloxicam compound has been successfully synthesized and characterized with the highest yields of 92%, with o-xylene solvent for 24 hours at 144oC with reflux heating. In the solid phase, the meloxicam compound has been successfully synthesized and characterized with the highest yields of 78% with preheating for 3 minutes, irradiation time for 10 seconds, pausing for 10 seconds, and 2 minutes total reaction time using a domestic microwave. The Rf value of product is 0.39 with mobile phases ethyl acetate: n-hexane = 1:1 (v/v) and stationary phase silica. The addition of ionic liquid in the meloxicam synthesis reaction can reduce the yields of the resulting product. The variations of cations that produce greater yields successively started from BMImI<OMImBr<DMImBr<DdMImBr. Variations of anions that produced greater yields successively started from OMImCl<OMImBr<OMImBF4<OMImPF6. Keywords: Ionic liquids, meloxicam, NSAID, solid phase, solution phase. Share Link | Plain Format | Corresponding Author (Rozkananda Rohmah Agustin)

72	COMPUTATIONAL SCIENCES	ABS-1
Resistosonography: Electrical Impedance Pseudo-Contrast of Ultrasound Images Agah D. Garnadi Ronin Mathematicians Abstract Medical Image Fusion is the process of combining multiple images taken by one or more medical imaging modalities. The purpose of medical image fusion is to incorporate structural and functional information of same body organ into a single image. Extensive research efforts have been made in medical image fusion domain to design fusion algorithms for better performance at a low computational cost. The proposed algorithm is based on Principal Component Analysis (PCA) and works in two phases. In the first phase, it generates intermediate images after applying PCA on Red, Green and Blue channels of sources images. In the second phase, the final fused image is obtained after applying PCA on pairs of individual color channels of intermediate images. The algorithms is used to make a black-white (Grey scale) Ultrasound images, into a color images based on EIT images of the same object. Keywords: Principal Component Analysis, Singular Value Decomposition, Share Link | Plain Format | Corresponding Author (Agah D. Garnadi)

73	COMPUTATIONAL SCIENCES	ABS-8
Visual of Ulam Spiral Construction with Google Sheets Mahfudz Reza Fahlevi IAIN Syaikh Abdurrahman Siddik Bangka Belitung, Indonesia Abstract Prime numbers can be analogous to atoms of arithmetic that have very important functions. Various approaches had been used to study prime numbers, one of which was through the arrangement of numbers such as the Ulam spiral. Many applications were designed for stringing Ulam spirals which can involve simple to high-level language programs. This paper aims to present one of the free applications that can be used to assemble Ulam spirals, namely Google sheets. With simple formulas in Google sheets, researchers could create Ulam spirals of up to 1024 numbers. This application is extensible and limited on the ability of Google sheets to create multiple cells in its work. Keywords: Google Sheets, Prime numbers, Ulam spiral Share Link | Plain Format | Corresponding Author (Mahfudz Reza Fahlevi)

74	COMPUTATIONAL SCIENCES	ABS-301
A Molecular Dynamics Study of a Complex of Macrophage Infectivity Potentior (Mip) Protein with Rapamycin using Conformational Flooding Elisabeth Catherina Widjajakusuma, Oci Davita, Ayu Janatun Fitri Widya Mandala Catholic University Surabaya Abstract The macrophage infectivity potentiator (Mip) protein has been shown to contribute to the intracellular survival of a wide range of pathogenic microorganisms. Therefore, it becomes an attractive candidate for development of efficient inhibitors. However, highly selective recognition of the target protein is a very challenging problem. In this study, we employed an artificial potential to enhance the sampling of 40 ns time of simulation and then, we compared it to 200 ns of classical molecular dynamics simulation. Some residues kept their hydrogen bonds to stabilize the binding site. The findings provide insights into ligand binding to the protein. Keywords: molecular dynamics simulation, macrophage infectivity potentiator, potential flooding Share Link | Plain Format | Corresponding Author (Elisabeth Catherina Widjajakusuma)

75	COMPUTATIONAL SCIENCES	ABS-318
The Study of CNN Transfer Learning in Absolute Permeability Estimation using Digital Rock Physics Muhammad Itikafi Khoirul Haq (a), Irwan Ary Dharmawan (a*) a) Faculty of Mathematics and Natural Sciences, Universitas Padjadjaran, Jalan. Raya Bandung Sumedang KM.21, Sumedang 45363, Indonesia *iad[at]geophys.unpad.ac.id Abstract Permeability is one of the essential physical properties in the study of fluid flow in reservoirs, particularly hydrocarbons. Generally, the measurement of rock permeability is conducted using lab measurement through fluid injection, but this method has the potential to alter the structure of the sample and is time-consuming. Another method is through the use of numerical simulation of digital rock, which requires high computer specifications. In recent years, machine learning has been developed as an alternative method for predicting rock properties in a shorter time. In this paper, we propose a study on the use of the Transfer Learning strategy in Convolutional Neural Network algorithms for the estimation of the absolute permeability of digital rocks. Digital rock physics that is of the sandstone types are used in this research to build a CNN model combined with six types of pre-trained models consisting of DenseNet201, ResNet152V2, InceptionV3, InceptionResNetV2, Xception, and MobileNetV2. We compare the prediction performance of each pre-trained model for various rock sample test data types. The results show that the six pre-trained models provide varying performances in predicting the absolute value of permeability of the digital rock. In addition, the performance of the CNN model is also affected by the conditions and complexity of the rock sample used in testing the model. This research provides novel insights into the characteristics of each type of pre-trained model in its application in the field of rock physics. Keywords: CNN- digital rock- machine learning- permeability- pre-trained model- transfer learning Share Link | Plain Format | Corresponding Author (Muhammad Itikafi Khoirul Haq)

76	COMPUTATIONAL SCIENCES	ABS-322
THE STUDY OF GEOMETRICAL EFFECT ON PERMEABILITY ESTIMATION IN THREE-DIMENSIONAL FRACTURE USING THE LATTICE BOLTZMANN METHOD Fatimah Az-Zahra, Irwan Ary Dharmawan* Faculty of Mathematics and Natural Science, Universitas Padjadjaran Jalan Raya Bandung Sumedang KM.21, Sumedang 45363, Indonesia Abstract In this study, we aimed to investigate the effect of geometry on permeability estimation in three-dimensional fractures using the Lattice Boltzmann Method. Fractures are known to have irregular and complex shapes, and the geometry of a fracture can significantly impact its permeability. To examine the relationship between permeability and fracture geometry, we generated three-dimensional geometries of fractures using fractal Brownian motion with a Hurst exponent to describe the roughness of the fracture surface. The fractures in our study had a mean aperture that ranged from narrow to wide and had a surface roughness that ranged from smooth to rough. The Lattice Boltzmann Method is employed to numerically calculate permeability and investigate the relationship between permeability and fracture parameters such as mean aperture and surface roughness. The results obtained in this study showed good agreement with two-dimensional case study. We found that there is a clear relationship between permeability and both mean aperture and surface roughness in three-dimensional fractures. As mean aperture increased, permeability generally increased as well. Similarly, as surface roughness increased, permeability generally decreased. Keywords: Fractures, Lattice Boltzmann Method, Mean Aperture, Permeability, Surface Roughness Share Link | Plain Format | Corresponding Author (Fatimah Az-Zahra)

77	COMPUTATIONAL SCIENCES	ABS-74
Topological Indices of Some Antiviral Agents Against African Swine Fever Virus John Rafael M. Antalan1, Gil Felicisimo Cabrera2, Priscilla S. Macansantos3, Delia Rose A. Miana1,3 and Richard P. Tagle1 1Department of Mathematics and Physics, College of Science, Central Luzon State University (3120), Science City of Munoz, Nueva Ecija, Philippines 2Department of Chemistry, College of Science, Central Luzon State University (3120), Science City of Munoz, Nueva Ecija, Philippines 3Department of Mathematics and Computer Science, College of Science, University of the Philippines Baguio (2600), Governor Pack Road, Baguio City, Philippines Abstract Chemical graph theory is a branch of mathematics that combines chemistry and graph theory. It has made a significant contribution in understanding the properties of chemical compounds in chemical science which has an application in isomer enumeration. The process of computing the topological indices is one of the areas of chemical graph theory that is used actively. For instance topological indices were used in QSPR analysis of Antituberculosis drugs. Recently, African Swine Fever (ASF) infected various swine in Rizal province, Philippines which leads to the scarcity of pork, and increase of prices on pork, chicken, and beef. In this article, we compute several topological indices of some Antiviral Agents Used Against African Swine Fever which are genistein, genkwanin, perylene-3-ylethynyl)-arabino-uridine or aUY11, 5-(perylene-3-ylethynyl) uracil-1-acetic acid or cm1UY11, and rifampicin. In particular, we compute for some of their vertex-degree-based, distance-based, and Mostar type indices. The vertex-degree-based topological indices that we will consider are Hyper Zagreb, Maxmin rodeg index, Albertson index, Sigma index, Inverse symmetric deg index, the variance of the vertex degrees, the product connectivity Banhatti index, and Atom bond connectivity index. On the other hand, the distance-based topological indices are Wiener index and Schultz index. Lastly, the Mostar-type indices are the Mostar index and the Szeged index. The outcomes of the study could be used to predict physicochemical properties of these antiviral agents used against African Swine Fever Virus such as boiling point, polarizability, and surface tension. Keywords: molecular graphs, topological index, vertex-degree based, distance-based, Mostar index Share Link | Plain Format | Corresponding Author (Delia Rose Abad Miana)

78	COMPUTATIONAL SCIENCES	ABS-341
Lattice Boltzmann Method for Modelling Fluid Flow in Porous Media Ardian Nurcahya, Azmi Syauqi, Muhammad Ilham Rizki, Irwan Ary Dharmawan* Department of Geophysics, Faculty of Mathematics and Natural Science, Universitas Padjadjaran. *iad[at]geophys.unpad.ac.id Abstract Fluid flow in porous media is essential in determining the characteristics of petroleum reservoirs. Darcys law states the relationship of parameters in the porous media such as flow velocity, pressure gradient, porosity, and permeability. The basic principle used in fluid flow in porous media is using mass conservation, which states that the total mass of fluid entering is equal to the total mass of fluid exiting. Traditional fluid mechanics approaches cannot be used to solve the complexity of fluid flow interfaces in porous media. The Lattice-Boltzmann method is a model that can be used to solve fluid flow equations in porous media in a micro-scale form. The fluid flow simulation is carried out in a single-phase steady state using openLB software with the D2Q9 model. The results of the study obtained the pressure drop value which is affected by permeability. The greater the permeability the smaller the pressure drop. The performance of the results can be validated by comparing the exact value with the estimated value in the form of absolute error. Keywords: Porous Media- Darcys Law- Lattice-Boltzmann method- Permeability- Pressure drop Share Link | Plain Format | Corresponding Author (Ardian Nurcahya)

79	COMPUTATIONAL SCIENCES	ABS-351
Lattice-Boltzmann Methods for Simulating Fluid Flow through a Two-Dimensional Fracture Fadhillah Akmal, Aldenia Alexandra, Irwan Ary Dharmawan* Department of Geophysics, Faculty of Mathematics and Natural Science, Universitas Padjadjaran. *iad[at]geophys.unpad.ac.id Abstract Fracture is a fault that does not shift and can be described as an open parallel plate medium with a smaller width than its length. Fractures are substantial contributors to the solute transport and sediment systems. Fracture has two physical parameters, there are mean aperture and surface roughness. The mean aperture is the thickness of the pathway through which the fluid will pass, and the surface roughness is the roughness of the fracture pathway. The two physical parameters are essential to determining the permeability of fluid flow in the fracture. The Lattice Boltzmann method is a numerical method that uses a mesoscopic approach to simulate laminar fluid flow through 2D fractures that have variations in mean aperture and surface roughness. The fracture model simulates that permeability will increase as mean aperture increases. The rougher the surface, it will interfere with the flow of the fluids and decrease permeability. Keywords: Fracture- Mean Aperture- Surface Roughness- Lattice Boltzmann Methods Share Link | Plain Format | Corresponding Author (Fadhillah Akmal)

80	COMPUTATIONAL SCIENCES	ABS-354
The Lattice Boltzmann Method of Non-Newtonian Flow in Couette Flow Satria Zidane Zainuddin, Muhammad Faizal Rafli, Irwan Ary Dharmawan. Department of Geophysics, Faculty of Mathematics and Natural Science, Universitas Padjadjaran. Abstract The research aims to simulate the flow of non-newtonian fluid using the Lattice-Boltzmann method where this method is used to simulate computational fluid dynamic. Non-newtonian fluid is a type of fluid that flows without following Newton^s law of viscosity where the viscosity value is constant regardless of the influence of stress. In non-newtonian fluids, viscosity can change to become more liquid or solid because it is affected by force. In the case of non-newtonian fluids, an interesting thing that can be simulated is coutte flow where in fluid dynamics coutte flow is the flow of viscous fluid in the space between two surfaces.The concept ^couette flow^ refers to the flow of a viscous fluid between two surfaces in which one of them is moving tangentially to the other. The relative motion of the surfaces imposes a shear stress on the fluid and induces flow. The result from the Lattice Boltzmann Method simulation is a Non-newtonian fluid can move in couette flow with different flow velocity levels due to differences in power law index values. Keywords: Non-newtonian Fluid- Couette Flow- Lattice-Boltzmann Method- Computational Fluid dynamics Share Link | Plain Format | Corresponding Author (Muhammad Faizal Rafli)

81	COMPUTATIONAL SCIENCES	ABS-123
Implementation Of The Simple Additive Weighting Method For Priority Determination Of PKH Distribution In The Sub-District Balikpapan City Muliady Faisal (a*), Rekhagemaya Tarissa Jan^Alfanda (b), Fikri Tsania Arrizqi (b) Department of Mathematics, Institut Teknologi Kalimantan Jl. Soekarno Hatta No.KM 15, Karang Joang, Kec. North Balikpapan, Balikpapan City, East Kalimantan 76127 Abstract Poverty is one of the many problems befell in almost every country, including in Indonesia. According to the Central Agency Statistics, in 2021 the poverty rate in Indonesia is still relatively high, namely 10.4% or 27.4 million people are poor. To minimize the level of poverty, the government has a social assistance program, one of which is the Family Hope Program. Provision of PKH must be done correctly so that the objectives can be carried out properly. Therefore it is necessary to determine the priority for the provision of appropriate Family Hope Program assistance with predetermined criteria using one of the support systems decisions that is Simple Additive Weighting Method. Keywords: Poverty, Family Hope Program, Simple Additive Weighting Share Link | Plain Format | Corresponding Author (Muliady Faisal)

82	COMPUTATIONAL SCIENCES	ABS-124
Prediction of Social Assistance Recipients Using K-Nearest Neighbor (KNN) (Case Study: West Balikpapan District) Muliady Faisal (a*), Rahayu Eka Pratiwi (b), Itva Aliva (b) Department of Mathematics, Institut Teknologi Kalimantan Jl. Soekarno Hatta No.KM 15, Karang Joang, Kec. North Balikpapan, Balikpapan City, East Kalimantan 76127 Abstract Poverty is the inability from the economic side to fulfill basic needs and non-food which is measured from the expenditure side. Service Social has implemented a social assistance system for underprivileged citizens, the poor, or unable to reduce poverty levels. There are some things to consider such as the economic condition of the residents or having several categories namely, work, income, and dependents. Based on this problem, researchers want to predict social assistance recipients using K-Nearest Neighbor (KNN), especially Balikpapan District West. From the results of research that has been conducted by researchers, it can be concluded that the level of accuracy of using K-Nearest Neighbor has good accuracy. Accuracy results are carried out by 3 tests namely obtained an accuracy of 74.2% with a comparison of training and testing data 70%: 30% with a value of k = 9, a comparison of training and testing data 80%: 20% obtained accuracy of 82% with a value of k = 10, and a comparison of training data and testing 90%: 10% obtained an accuracy of 83% with a value of k = 10. Keywords: Poverty- Social Assistance- K-Nearest Neighbor Share Link | Plain Format | Corresponding Author (Muliady Faisal)

83	COMPUTATIONAL SCIENCES	ABS-128
Convolutional Neural Network with Long Short-Term Memory on Time-Series Rainfall Data Prediction Model Efraim Kurniawan Dairo Kette (a*), Finny Oktariani (b) a) Department of Computational Science, Bandung Institute of Technology, Indonesia 20920301[at]mahasiswa.itb.ac.id b) Combinatorial Mathematics Research Group, FMIPA, Bandung Institute of Technology, Jalan Ganesha 10, Bandung 40132, Indonesia Abstract Understanding future weather conditions are essential in planning and handling the negative impacts that may arise. The Numerical Weather Prediction (NWP) is a model often used for weather forecasts. However, it usually has high computational costs. In this study, we use Convolutional Neural Network (CNN) combined with Long Short-Term Memory (LSTM) Network model to predict rainfall intensity based on time series data. We use two datasets at five observation stations of the Indonesian Agency for Meteorological, Climatological, and Geophysics (BMKG), along with Climate Hazards Group Infrared Precipitation with Stations (CHIRPS). The CNN model can retrieve spatial information from weather measurement variables, and LSTM maintains temporal patterns information from sequential data to improve the accuracy of the prediction model. We use several observational time steps to emulate short term and long-term prediction. The results obtained using optimal model hyperparameter show that CNN combination with the LSTM model obtains an 8.410% MAPE score whereas the CNN model give MAPE score of 8.688%. Based on the results, we consider that the CNN-LSTM model can improve the rainfall intensity prediction in different weather observation regions. Keywords: Convolutional Neural Network- weather forecasts- rainfall intensity prediction Share Link | Plain Format | Corresponding Author (Efraim Kurniawan Dairo Kette)

84	COMPUTATIONAL SCIENCES	ABS-138
The Application of Faster Region based Convolutional Neural Network for Rice Plant Disease Identification Vani Krismo Anggoro(a*), Dwi Ratna Sulistyaningrum(a) (a) Department of Mathematic, Faculty of Science and Data Analytics, Institut Teknologi Sepuluh Nopember Kampus ITS Sukolilo, Surabaya 60111, Indonesia *sayavanikrismo[at]gmail.com Abstract The rice plant is the highest consumed food commodity by Indonesians compared to other commodities. In cultivating rice plants, farmers will encounter pests or diseases that attack the plants. They include Blast, Wereng Coklat or Brown Spot, etc. The lack of knowledge about diseases that attack rice plants is the cause of delays in the diagnosis and treatment process, causing crop failure and decreased rice production. Therefore, a tool is needed to help farmers recognize rice plant diseases automatically. A digital image processing approach using deep learning can help the process of disease recognition in rice plants. One of the object detection methods with deep learning used in this study was Faster RCNN (Faster Region based Convolutional Neural Network). Faster RCNN can identify rice plant diseases quite well. The Faster RCNN model is trained using 160 training image data and several parameters to get the best model performance. Based on the results of training conducted by the Faster RCNN system, the best test accuracy obtained from 40 test image data is 93.4% Keywords: deep learning- Faster RCNN- rice plant disease Share Link | Plain Format | Corresponding Author (VANI KRISMO ANGGORO)

85	COMPUTATIONAL SCIENCES	ABS-141
Adversarial Attention-Based Variational Graph Autoencoder for Fraud Detection in Online Financial Transaction Nur Alibasyah Wiriaatmadja (a*), Finny Oktariani (a,b) a) Department of Computational Science, Bandung Institute of Technology Jalan Ganesha 10, Bandung 40132, Indonesia *nuralibasyah[at]gmail.com b) Combinatorial Mathematics Research Group, Faculty of Mathematics and Natural Sciences, Bandung Institute of Technology Jalan Ganesha 10, Bandung 40132, Indonesia Abstract The significant growth of online financial transactions also raises threats of fraud in transactions which can harm both companies and consumers. Several machine learning models for classification has been used for fraud detection and shows outstanding results. However, as the volume and variety of transaction data expands, it is difficult for traditional machine learning algorithms to detect fraud. This research aims to use the Adversarial Attention-Based Variational Graph Autoencoder (AAVGA) for fraud detection by modeling online transaction data as a graph and use the graph embedding for classification task. AAVGA is one of the most recent autoencoder-based graphs embedding method, which use graph attention network in the encoder to generate latent variable and use them in adversarial strategy to enhance the generalization performance of a graph embedding model. By its attention mechanisms, AAVGA can achieve promising accuracy results for unbalanced classification tasks, such as fraudulent transaction data. Furthermore, this research will try to show broad capabilities of graph embedding methods by modeling online transaction data in graph structure. Keywords: Graph embedding- Graph autoencoder- Fraud detection- Online transactions Share Link | Plain Format | Corresponding Author (Nur Alibasyah Wiriaatmadja)

86	COMPUTATIONAL SCIENCES	ABS-146
SARS-CoV-2 Bioinformatics: Mutation Sequence Analysis of the SARS-CoV-2 Virus Using Needleman-Wunsch Alignment, Boolean Logic, and the Kimura Model Felza Ridho (*), Mohammad Isa Irawan Department of Mathematics, Faculty of Science and Data Analytics, Institut Teknologi Sepuluh Nopember, Jl. Raya ITS, Sukolilo, Surabaya, 60111, Indonesia. (*)felzaridho98[at]gmail.com Abstract The SARS-CoV-2 virus, which has now become a pandemic, was discovered at the end of 2019. The consequences caused by this virus have been felt throughout the world. In addition to the virus that appeared at the beginning of 2019, various variants have appeared, ranging from the virus that appeared in the city of Wuhan to the omicron virus variant, with varying levels of virus malignancy. Virus variants are declared different if the genetic data in the form of DNA sequences has different elements. With the emergence of the SARS-CoV-2 virus variant and the spread of the virus, which is still ongoing today, it is necessary to carry out a process to find many mutations of the SARS-CoV-2 variant in the form of DNA sequences. In the process of looking for many mutations, Needleman-Wunsch alignment will be used, and Boolean logic will also be used to analyze the elements in the sequence one by one. The mutation sequence obtained will be used as a reference for a closeness analysis between variants of the SARS-CoV-2 virus by forming a distance evolution matrix with the Kimura model. The results obtained show the percentage of transition and transversion mutations between variants, where the mutation percentage and the farthest distance are in the Alpha and Eta variants with a distance of 4.21 and a mutation of 0.27856%, and the percentage and the shortest distance are in the variants from Wuhan and Lota with a distance of 3.14 and a mutation of 0.06688%. Keywords: SARS-CoV-2, Needleman-Wunsch alignment, Boolean logic, Kimura Model Share Link | Plain Format | Corresponding Author (Felza Ridho)

87	COMPUTATIONAL SCIENCES	ABS-153
Classification of Cardiovascular Disease Using Machine Learning Model Aditya Wisnugraha Sugiyarto (a), Aminatus Saadah (a*), Vina Nurmadani (a), Prihantini (a) a) Faculty of Mathematics and Natural Sciences, Bandung Institute of Technology Jalan Ganesha 10, Bandung 40132, Indonesia * aminatussaadah.math[at]gmail.com Abstract Cardiovascular disease (CVD), such as heart attack, coronary heart disease and stroke, is a disease that attacks the heart or blood vessels. According to the World Heart Federation (WHF), CVD is the number 1 killer in the world with 18.6 million deaths each year worldwide. CVD is detected based on an electrocardiogram (ECG), a recording of the heart^s electrical activity. It requires proper analysis and diagnosis of ECG signals to determine the type of abnormality or disease of the heart. In this research, a classification of heart disease was carried out using a machine learning model based on ECG signal data. The ECG signal is first denoised (cleaning the noise in the signal) using the Fast Fourier Transform (FFT). Then the signal data is extracted in the time-frequency domain using the Autoregressive Power Spectral Density (AR-PSD) transformation to obtain three main ones, namely magnitude, amplitude, and time. The data obtained are then classified using a machine learning model to determine the type of heart disease. Keywords: Cardiovascular disease, ECG, machine learning, classification Share Link | Plain Format | Corresponding Author (Aminatus Saadah)

88	COMPUTATIONAL SCIENCES	ABS-154
Crowd Identification On RSSI-WIFI Based Indoor Position Tracking System J. E. Yahya (a), N. S. Aminah (a*) a) Instrumentation and Computational Research Group, Institut Teknologi Bandung. Ganesha 10, Bandung 40132, Indonesia. *nina[at]itb.ac.id Abstract Corona Virus Disease (COVID-19) is a disease that spreads very rapidly, especially in Indonesia. In terms of mortality rate due to COVID-19, Indonesia ranks third in Asia in terms of positive COVID-19 cases. Therefore, we needed technology that can help reducing the spread of COVID-19 by minimizing contact between individuals. In this study, we used the Received Signal Strength Indicator (RSSI) from a WiFi router. This method utilizes the existing infrastructure, namely router devices that have been installed in various places in the building. We divided the research area into 96 points. We obtained RSSI values from 17 routers for each position and put them into the database. The real-time RSSI value will be compared with the RSSI value in the database. The webpage can track and display the position for up to 5 users along with their location information. In identifying the crowd, the distance parameter is used to determine the physical identity of the user. Keywords: Tracking system, RSSI, Wifi Share Link | Plain Format | Corresponding Author (Nina Aminah)

89	COMPUTATIONAL SCIENCES	ABS-182
Properties of N-Carboxymethyl Chitosan Molecules as Receptors for Vitamin C and Curcumin Ligands Nabela Audryna Amalia Insani (a), Dwi Hudiyanti (a), Khairul Anam (b), Daniel Sethio (c), and Parsaoran Siahaan (a*) a) Physical Chemistry, Faculty of Sciences and Mathematics, Diponegoro University, Jalan Prof. Sudarto, S.H Tembalang, Semarang 50275, Indonesia *siahaan.parsaoran[at]live.undip.ac.id b) Organic Chemistry, Faculty of Sciences and Mathematics, Diponegoro University, Jalan Prof. Sudarto, S.H Tembalang, Semarang 50275, Indonesia c) Angstrom Laboratory, Department of Chemistry, Disciplinary Domain of Science and Technology, Uppsala University, P.O. Box 256, SE-751 05 Uppsala, Sweden Abstract Carboxymethyl chitosan have a wide applicability. Some of them are its application as an adsorbent and basic material for drug delivery. In this paper, computational studies of molecular interactions and dynamics are used to study the properties of N-carboxymethyl chitosan molecules as receptors on the interaction between N-carboxymethyl chitosan with vitamin C and curcumin. This study used four variations in the number of N-carboxymethyl chitosan monomers, namely 3, 5, 10, and 15. It has been observed that in the N-Carboxymethyl Chitosan...Vitamin C complex or N-Carboxymethyl Chitosan...Curcumin complex has intramolecular interactions, namely between the constituent atoms of N-Carboxymethyl chitosan and intermolecular interactions, namely between the constituent atoms of N-Carboxymethyl chitosan with the constituent atoms of vitamin C or curcumin. The interaction formed by hydrogen bonds on the N-Carboxymethyl Chitosan...Vitamin C complex or N-Carboxymethyl Chitosan...Curcumin complex can be used to explain the ability of carboxymethyl chitosan as an adsorbent and a basic substance for drug delivery. In addition, in this study, sequential docking was carried out to study the effect of macromolecular segment sizes on their interaction with ligands. The results of this study show that the size of macromolecular segments can strengthen or weaken the energy of receptor interactions with ligands, so that it can be used as a basis for regulating pore size in its application as an adsorbent. Keywords: Carboxymethyl chitosan- Vitamin C- Curcumin- Adsorbent- Drug delivery- Molecular dynamic- Sequential docking Share Link | Plain Format | Corresponding Author (Nabela Audryna Amalia Insani)

90	COMPUTATIONAL SCIENCES	ABS-183
Molecular Properties of O-Carboxymethyl Chitosan for Curcumin and Nicotinamide in Forming Complexes Using Molecular Docking and Molecular Dynamic Study Luthfiyah Hana Afiyah (a), Dwi Hudiyanti (a), M Cholid Djunaidi (b), Parsaoran Siahaan (a)* Diponegoro University Abstract Abstract is submitted as file Keywords: O-CMC- Kurkumin- Nikotinamida- Molecular Docking- Molecular Dynamic Share Link | Plain Format | Corresponding Author (Luthfiyah Hana Afiyah)

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