3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)最新文献

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Influence of forging pressure and welding time on microstructure and mechanical properties of dissimilar metal friction welding joints between AISI-316 austenitic stainless steel and AISI-4140 alloy steel under high speed rotation 锻造压力和焊接时间对高速旋转下AISI-316奥氏体不锈钢与AISI-4140合金钢异种金属摩擦焊接接头组织和力学性能的影响
Haikal, B. Margono, M. Chamim, A. Wiyono, Isnarno
{"title":"Influence of forging pressure and welding time on microstructure and mechanical properties of dissimilar metal friction welding joints between AISI-316 austenitic stainless steel and AISI-4140 alloy steel under high speed rotation","authors":"Haikal, B. Margono, M. Chamim, A. Wiyono, Isnarno","doi":"10.1063/5.0062307","DOIUrl":"https://doi.org/10.1063/5.0062307","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132303365","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}
引用次数: 1
Molecular docking simulations of hemoglobin with acrylamide and its interference compounds in coffee sample: A preliminary study of biosensor application 咖啡样品中血红蛋白与丙烯酰胺及其干扰化合物的分子对接模拟:生物传感器应用的初步研究
A. Ainun, M. A. F. Nasution, A. Umar, T. Ivandini
{"title":"Molecular docking simulations of hemoglobin with acrylamide and its interference compounds in coffee sample: A preliminary study of biosensor application","authors":"A. Ainun, M. A. F. Nasution, A. Umar, T. Ivandini","doi":"10.1063/5.0062213","DOIUrl":"https://doi.org/10.1063/5.0062213","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"17 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115076457","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}
引用次数: 0
Exploration of FDA-approved drug interactions with SARS-CoV2 main protease using structure-based virtual screening and MM-GBSA binding free energy methods 利用基于结构的虚拟筛选和MM-GBSA结合自由能方法探索fda批准的药物与SARS-CoV2主要蛋白酶的相互作用
F. Saudale
{"title":"Exploration of FDA-approved drug interactions with SARS-CoV2 main protease using structure-based virtual screening and MM-GBSA binding free energy methods","authors":"F. Saudale","doi":"10.1063/5.0062188","DOIUrl":"https://doi.org/10.1063/5.0062188","url":null,"abstract":"SARS-CoV2 is the coronavirus strain that causes acute respiratory syndromes or COVID19. It has been infecting around 33,000,000 people and causing 1.000,000 deaths around the world. SARS-CoV2 main protease plays a proteolytic role in producing viral polyproteins essential for virus replication. It is considered as an attractive therapeutic strategy. Drug repurposing approach by identifying and testing current available drugs that may bind and inhibit SARS-CoV2 main protease has been widely applied. Here, we computationally screened 2111 FDA (Food and Drug Administration)-approved drugs to investigate its potential interaction to the 3D crystal structure of SARS-CoV-2 main protease recently solved and deposited in Protein Data Bank (PDB). After virtual screening was performed to obtain the docking score and appropriate binding pose, the physic-based method using Molecular Mechanics combined with Generalized Born Surface Area (MM-GBSA) was further employed to estimate relative free binding energy of protease/drugs interaction (in kcal/mol). We report a list of six FDA-approved drugs that have similar and/or greater binding free energy than a peptidomimetic inhibitor of SARS-CoV2 main protease crystal structure used as a positive control. We observe the similarity of hydrogen bonding interactions with amino acids such as Glu166, Gly143, His164 that appear to stabilize the drug binding with protease providing valuable insights to be explored for further structure-activity relationship study and in vitro as well as in vivo validation. © 2021 Author(s).","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115372707","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}
引用次数: 0
Feasibility study on the development of an Indonesian reference material for determination of nutrient in milk 研制印度尼西亚牛奶中营养成分测定标准物质的可行性研究
C. Elishian, Eka Mardika Handayani, I. Komalasari, Oman Zuas, R. Ketrin, G. Ginanjar
{"title":"Feasibility study on the development of an Indonesian reference material for determination of nutrient in milk","authors":"C. Elishian, Eka Mardika Handayani, I. Komalasari, Oman Zuas, R. Ketrin, G. Ginanjar","doi":"10.1063/5.0062182","DOIUrl":"https://doi.org/10.1063/5.0062182","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"51 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130105696","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}
引用次数: 0
Physical-chemical characteristics of the Tuti Adagae hot spring in Alor regency, East Nusa Tenggara 东努沙登加拉Alor摄政区Tuti Adagae温泉的物理化学特征
Martasiana Karbeka, Loth Botahala
{"title":"Physical-chemical characteristics of the Tuti Adagae hot spring in Alor regency, East Nusa Tenggara","authors":"Martasiana Karbeka, Loth Botahala","doi":"10.1063/5.0062161","DOIUrl":"https://doi.org/10.1063/5.0062161","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126799562","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}
引用次数: 0
Preparation of Fe3O4/SiO2/TiO2-Cu for removal methylene blue (MB) under UV and visible light irradiation 紫外和可见光下Fe3O4/SiO2/TiO2-Cu去除亚甲基蓝的制备
M. M. Musawwa, E. S. Kunarti, Sutarno
{"title":"Preparation of Fe3O4/SiO2/TiO2-Cu for removal methylene blue (MB) under UV and visible light irradiation","authors":"M. M. Musawwa, E. S. Kunarti, Sutarno","doi":"10.1063/5.0062258","DOIUrl":"https://doi.org/10.1063/5.0062258","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128701337","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}
引用次数: 0
Preliminary study of adsorbent selection for astaxanthin purification in batch method 分批法纯化虾青素吸附剂选择的初步研究
P. R. Dewati, Rochmadi, A. Rohman, A. Budiman
{"title":"Preliminary study of adsorbent selection for astaxanthin purification in batch method","authors":"P. R. Dewati, Rochmadi, A. Rohman, A. Budiman","doi":"10.1063/5.0065518","DOIUrl":"https://doi.org/10.1063/5.0065518","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132890179","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}
引用次数: 0
Comparative study of meso-carbon micro-beads and activated carbon derived from Bagasse waste as anode materials 甘蔗渣中介碳微珠与活性炭作为阳极材料的比较研究
Arikasuci Fitonna Ridassepri, F. Rahmawati, A. Wijayanta
{"title":"Comparative study of meso-carbon micro-beads and activated carbon derived from Bagasse waste as anode materials","authors":"Arikasuci Fitonna Ridassepri, F. Rahmawati, A. Wijayanta","doi":"10.1063/5.0062337","DOIUrl":"https://doi.org/10.1063/5.0062337","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"14 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133195105","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}
引用次数: 0
Treatment of printing industry waste using distillation method 用蒸馏法处理印刷工业废料
Riyanto, Della Amalia
{"title":"Treatment of printing industry waste using distillation method","authors":"Riyanto, Della Amalia","doi":"10.1063/5.0062378","DOIUrl":"https://doi.org/10.1063/5.0062378","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"107 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116330463","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}
引用次数: 0
Optimization of extraction of lemongrass leaves (Cymhopogon citratus) with microwave-assisted hydrodistillation using Box-Behnken design 采用Box-Behnken设计优化微波辅助加氢蒸馏法提取香茅叶的工艺条件
D. Bhuana, Z. Ma’sum, M. Mahfud
{"title":"Optimization of extraction of lemongrass leaves (Cymhopogon citratus) with microwave-assisted hydrodistillation using Box-Behnken design","authors":"D. Bhuana, Z. Ma’sum, M. Mahfud","doi":"10.1063/5.0062180","DOIUrl":"https://doi.org/10.1063/5.0062180","url":null,"abstract":"","PeriodicalId":250907,"journal":{"name":"3RD INTERNATIONAL CONFERENCE ON CHEMISTRY, CHEMICAL PROCESS AND ENGINEERING (IC3PE)","volume":"74 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114257991","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}
引用次数: 2
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