F. Saudale, M. Angelin, B. D. Tawa, R. I. Lerrick, O. T. Selan, S. M. Ledoh
{"title":"Homology modeling, virtual screening and docking potential inhibitors of Shigella flexneri DHPS","authors":"F. Saudale, M. Angelin, B. D. Tawa, R. I. Lerrick, O. T. Selan, S. M. Ledoh","doi":"10.1063/5.0062185","DOIUrl":"https://doi.org/10.1063/5.0062185","url":null,"abstract":"Increasing cases of resistance against Shigella flexneri (The bacteria responsible for Shigellosis) have encouraged the development of new antibiotics. Dihydropteroate synthase (DHPS) is an enzyme involved in folate biosynthesis pathway that has been targeted by sulfonamide drugs. DHPS mutations in PABA binding pocket were associated with sulfonamide resistance. However, it does not affect DHPPP binding site or also known as pterin pocket. This research aims to search for novel compounds that can potentially bind and inhibit Shigella flexneri DHPS on pterin pocket using AMPPD (Inhibitor of E. coli DHPS targeting pterin pocket) as a positive control employing in silico structure-based drug discovery. The main steps of this research were to build three-dimensional structure of Shigella flexneri DHPS using homology modeling with SWISS-MODEL and to perform virtual screening and docking on natural product database via MTi Open Screen webserver. Three-dimensional structure of Shigella flexneri DHPS was constructed using E.coli DHPS crystal structure as a template having 100% sequence identity and 1.7 A resolution. Based on the virtual screening results, three natural product compounds showed the highest binding affinity from -8,8 kcal/mol to -9,5 kcal/mol with Shigella flexneri DHPS as compared to AMPPD. They also occupied the same pterin binding pocket. It suggests that those three natural compounds could be potential inhibitors of Shigella flexneri DHPS targeting the pterin binding pocket. Hence, those compounds warrant further investigation by in vitro and in vivo experiments for validation.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115338516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Simple method on determination of deacetyllation degree for chitosan","authors":"Yuli Rohyami, Nofa Armelia Sari","doi":"10.1063/5.0062473","DOIUrl":"https://doi.org/10.1063/5.0062473","url":null,"abstract":"The simple method of comparative study has been carried out for the determination of DDA chitosan by infrared spectrometry and titrimetric. Determination of DDA by infrared spectrometry has the data quantification technique with 4 different equations This study aims to determine the significance of the DDA value with these equations. Including the titration method, there are 4 techniques to determine the endpoint that has been reported in the previous studies. The endpoint is indicated by phenolphthalein, methyl orange, and Conway (methyl red-bromocresol green) indicators, and potentiometric titration. This study was conducted by measuring DDA for chitosan with 7 replications using FTIR and titration using phenolphthalein, methyl orange, and Conway (methyl red-bromocresol green) indicators, and potentiometric titration. The DDA has been determined using the baseline method with absorption at wavenumber 3450 cm−1 from –OH aliphatic groups and 1655 cm−1 from –CO groups with Eq. 2 and Eq. 3; absorption at wavenumber 2870 cm−1 from –CH stretching band with Eq. 4; and absorption at wavenumber 1420 cm-1 from –CH2 stretching band with Eq. 5. The significance testing of the DDA values using infrared spectrometry and titrimetric methods was carried out using ANOVA. Based on the study, infrared spectrometry with Eq. 2 - Eq. 5 recommended as the method for rough estimation of DDA for chitosan and its derivatives. The DDA values from Eq. 2 and Eq. 3 with the absorption at 3450 and 1655 cm−1 and Eq. 5 with absorption at 1320 and 1420 cm-1 is not significantly different but the determination of DDA with Eq. 4 with the absorption at 2870 cm-1 is a significant difference. The calculation of DDA values with good precision and good accuracy is calculated using Eq. 5. The method allows for dry samples and calculation of DDA requires carefulness in determining the baseline to get the good precision and good accuracy. The determination of DDA using volumetric is recommended using potentiometric titration. Titration with phenolphthalein, methyl orange, Conway indicators have limitations on observing the endpoint. Chitosan has limitation solubility at low pH and observation of the endpoint of the titration must be carried out rapidly before chitosan is precipitated. Potentiometric titration has good precision and good accuracy for the determination of DDA using the simple, available equipment, inexpensive, good precision, accurate, and reliable for routine analysis.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"19 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114812357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
F. Nitbani, J. Jumina, Putra Tjitda, H. E. Wogo, A. Detha, B. A. Nurohmah
{"title":"Synthesis of 2-monolaurin from pure lauric acid","authors":"F. Nitbani, J. Jumina, Putra Tjitda, H. E. Wogo, A. Detha, B. A. Nurohmah","doi":"10.1063/5.0062214","DOIUrl":"https://doi.org/10.1063/5.0062214","url":null,"abstract":"An attempt of synthesis 2-monolaurin from lauric acid through trilaurin as an intermediate compound has been successfully conducted. Trilaurin has been afforded via esterification reaction of lauric acid and glycerol with yield and purity of 78 and 84% respectively. Ethanolysis reaction of trilaurin using Lipozyme TL IM enzyme resulted in the formation of 2-monolaurin in a yield of 60 % and purity of 97%.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"142 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132437455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Phytochemical analysis and antioxidant activity of the methanol extract of Kersen leaf (Muntingia calabura L)","authors":"R. Y. Kurang","doi":"10.1063/5.0062175","DOIUrl":"https://doi.org/10.1063/5.0062175","url":null,"abstract":"Kersen plants (Muntingia calabura L) is one type of medicinal plant. One part of the plant that is often used is the leaves. This study aims to determine the phytochemical analisys and antioxidant activity of the methanol extract of Kersen leaf. The results showed that the methanol extract Kersen leaves have alkaloids, phenolic and tannin contents. The results of the antioxidant activity tests using the 1,1-diphenyl-2-pikrylhidrazyl (DPPH) showed the value IC50 value of 233.47 mg/L. Extract of Muntingia calabura L. leaf has potential as an antioxidant.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122964555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhaimin, Reza Izzati Izzul Hawa, Eka Rahma Hidayati, Nita Suryani
{"title":"Test method verification of chrome heksavalen (Cr-VI) test in waste water using UV-visible spectrophotometer","authors":"Muhaimin, Reza Izzati Izzul Hawa, Eka Rahma Hidayati, Nita Suryani","doi":"10.1063/5.0062198","DOIUrl":"https://doi.org/10.1063/5.0062198","url":null,"abstract":"Verification of the determination of hexavalent chromium (Cr-VI) level refers to SNI-6989-71-2009 using a UV-Visible Spectrophotometer. Verification of determination of hexavalent chromium (Cr-VI) levels in textile wastewater with parameter determination of hexavalent chrome content (Cr VI), linearity value, level of linearity (LOL), method detection level (MDL), precision, accuracy, repeatability, reproducibility, limit of detection (LOD), limit of quantitation (LOQ) using the UV-Visible Spectrophotometry method. Based on the results of the analysis showed that the levels of hexavalent chrome (Cr-VI) in textile wastewater amounted to 0.0224 mg/L so that textile waste samples met the prerequisites for testing SNI-6989-71-2009 because not more than 0.05 mg/L. The linearity value is obtained 0.9999; level of linearity (LOL) of 1 mg/L, detection level (MDL) method of 0.01 mg/L, precision (repeatability) of 4.53% and meeting the requirements of crime which is 10.72%, average accuracy of 93, 43%, reproducibility of 3.59%, limit of detection (LOD) of 0.00856 mg / L, limit of quantitation (LOQ) of 0.02853 mg/L. Based on the results of verification tests it can be concluded that the analysis method is well used for the determination of hexavalent chrome (Cr-VI) levels in textile wastewater samples using a UV-Visible spectrophotometer because all parameters meet the testing requirements so that the method can be used for routine testing.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131250684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. I. Rani, A.F.M. Fadzir, A. Abdullah, A. Mohammed, J. Gimbun
{"title":"Characteristics of dust cloud formation: The effect of conveying speed on flow field of tea powder","authors":"S. I. Rani, A.F.M. Fadzir, A. Abdullah, A. Mohammed, J. Gimbun","doi":"10.1063/5.0062195","DOIUrl":"https://doi.org/10.1063/5.0062195","url":null,"abstract":"Tea dust is classified as combustible agricultural dust. Manufacturing processes of tea frequently involve a falling stream of tea powder and induced smaller dust to the surrounding, forming a dust cloud. Under certain circumstances, there are potential for rapid combustion and serious explosion to occur. Herein, experimental research results are reported in this study, focusing in particular on the flow field of tea dust during free-falling. This investigation shows that the axial velocity is found to increase significantly with increasing conveying speed, however the RMS turbulent velocity shows slight fluctuations from each other. Both velocities are found to increase linearly with increasing drop height, and similar flow field patterns are found for a all conveying speeds. Also, high flow field is observed towards the core of the particle-driven plume and decreases to the wall. The results presented here may facilitate fundamental knowledge on dust cloud formation to enhance awareness for dust control and prevention in agricultural industries.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"99 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133190307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rinandha Puspadhani, Tuti Purwaningsih, Ayundyah Kesumawati, Arum Handini P., R. B. F. Hakim
{"title":"Onions classification automation using deep learning with convolutional neural network method","authors":"Rinandha Puspadhani, Tuti Purwaningsih, Ayundyah Kesumawati, Arum Handini P., R. B. F. Hakim","doi":"10.1063/5.0063121","DOIUrl":"https://doi.org/10.1063/5.0063121","url":null,"abstract":"Earn a living as farmers, supported by the presence of fertile soil and a tropical climate that is suitable for use in the agricultural sector, for example the horticulture subsector. Onion is an agricultural commodity that is needed by all people around the world. Onions are used as food flavoring enhancers and have great efficacy in terms of treatment. Onion needs always increase every year in accordance with high market demand which is in line with an increase in population, while onion production is seasonal [1]. In the district of Magelang, several farmers planted onions by mixing all types of onion seeds in one field. This is due to the unavailability of farmers’ land to be planted. After the harvest, all onion production is made into one place so that it is easier to package and distribute to onion suppliers. This makes the supplier takes a long time in separating the types of onions. Therefore, we need a technology and system to facilitate the filtering of onions based on the type so that, it is easy to recognize the species quickly and automatically with a more efficient time. With the Deep Learning technique, the machine is expected to be able to classify the differences between the onions. One method for classifying the Convolutional Neural Network (CNN) method is a development of Deep Learning techniques in terms of object recognition and object classification in high resolution images. Based on the results of the analysis conducted, the best architecture was obtained using a 80% data train comparison scenario; test data 20%, filter size 10, kernel size 3x3, size of learning rate 0.01 using ReLu activation, number of epoch 70, batch size 50 which uses the type of color image (RGB). produces an accuracy of 70%. Where for the results of the classification of predicted images of onions according to its category as many as 8 images for onions, 9 images for onions, and 4 for garlic.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122043885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
O. T. Selan, Anika E. Sari, Arty N. Manafe, Mares J. Nobrihas, A. Ola, Reiner I. Lerrick, Alfius R. Kale
{"title":"Timor natural clay as TiO2 modifier to enhance DSSC efficiency using dye chlorophyll from Leucaena leucocephala (Lam.), chromolaena odorata and lannea coromandelica leaves","authors":"O. T. Selan, Anika E. Sari, Arty N. Manafe, Mares J. Nobrihas, A. Ola, Reiner I. Lerrick, Alfius R. Kale","doi":"10.1063/5.0062210","DOIUrl":"https://doi.org/10.1063/5.0062210","url":null,"abstract":"The improvement of dye sensitized solar cell (DSSC) efficiency using clay from Timor to modify TiO2 semiconducting material with chlorophyll dyes as photosensitisers had been conducted. This investigation employed doctor blade method for photoelectrochemical cell design and testing using chlorophyll from three different plant leaves namely Leucaena leucocephala (Lam.), (A), Lannea coromandelica (B) and Cromoleana Odorata (C). Infra-Red, X-Ray Fluorescence and X-Ray Diffraction analysis show that the main chemical compositions of the clay are SiO2 (53%), Fe2O3 (22,2%) and Al2O3 (13%) identified as a typical bentonite clay. We found that the addition of clay onto TiO2 increased the efficiency of cells using these three different source of chlorophylls (A - from 0.0437 to 0.7502%, B - from 1.203 to 1.450% and C - from 0.034 to 0.284%) potential for further purifications or activations and applications.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128926278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and toxicity test of tin(IV) pyridine-2,6-dicarboxylate complexes","authors":"Imanuel Gauru, F. Martak","doi":"10.1063/5.0062237","DOIUrl":"https://doi.org/10.1063/5.0062237","url":null,"abstract":"Binuclear tin(IV) complex with pyridine-2,6-dicarboxylic ligand has been synthesized using reflux method. The colorless crystals with cubic shape were obtained. Elemental analysis of Tin(IV) Pyridine-2,6-Dicarboxylate Complexes clearly indicates that the contents of carbon, hydrogen, and nitrogen in the complex were 31,74%, 3.08%, 4.23% by weight. The measurement of tin levels in the complexes by Atomic Absorption Spectroscopy (AAS) shows the results of 34.80% by weight. The IR spectrum showed absorption peaks of Sn-N and Sn=O at 432.05 and 732.95 cm−1 respectively, confirming the formation of complex. Toxicity of the complex was determined by Brine Shrimp Lethality Test (BSLT) method, and the LC50 value of the complex was 23.81 mg/L.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"42 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122687150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Bayu Wiyantoko, Vivin Maulidatunnisa, T. E. Purbaningtias
{"title":"Method performance of K2O analysis in flake potassium fertilizer using flame photometer","authors":"Bayu Wiyantoko, Vivin Maulidatunnisa, T. E. Purbaningtias","doi":"10.1063/5.0062537","DOIUrl":"https://doi.org/10.1063/5.0062537","url":null,"abstract":"Potassium is the only monovalent cation-shaped element that plants need and is the third major nutrient for plant growth. This study aims to determine the level of K2O in potassium chloride flake fertilizer using a flame photometer which is a development of the Indonesian National Standard method 02-2805-2005, so it needs to be validated to prove that the method used is as intended. The results showed that the K2O levels in each validation parameter showed results that met the requirements. Linearity value in standard solution of potassium 0; 1; 2; 3; 4; 5; 10; 15 and 20 ppm obtained the coefficient of determination (R2) of 0.9966. The precision value obtained is less than 2/3% CV Horwitz so the repetition of the sample can be said to be good. The accuracy value of the potassium chloride fertilizer obtained from 98.64% - 100.95% is a good result because it is in the range of 98% - 102% this value is included in the range of acceptance requirements.","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124993452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}