Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p17
H. Supriadi, S. Salam, F. F. Abdullah, A. Subarnas, R. Sidik, U. Supratman, Y. Shiono
Two steroids compounds, 7?-Hydoxy ?-sitosterol (1) and ?-sitosterol (2), have been isolated from ethyl acetate extract of the fresh Super Red Dragon Fruit (Hylocereus costaricensis).The chemical structure of compounds 1 and 2 were identified by spectroscopic data including UV, IR, NMR-1D, NMR-2D and mass as well as by comparing with previously reported spectral data. Compounds 1 and 2 were reported for the first time from dragon fruit (Hylocereus costaricensis). Keywords: 7?-Hydoxy ?-sitosterol, ?-sitosterol, Hylocereus costaricensis, steroids.
{"title":"STEROIDS FROM THE SUPER RED DRAGON FRUIT (Hylocereus costaricensis)","authors":"H. Supriadi, S. Salam, F. F. Abdullah, A. Subarnas, R. Sidik, U. Supratman, Y. Shiono","doi":"10.24843/jchem.2019.v13.i02.p17","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p17","url":null,"abstract":"Two steroids compounds, 7?-Hydoxy ?-sitosterol (1) and ?-sitosterol (2), have been isolated from ethyl acetate extract of the fresh Super Red Dragon Fruit (Hylocereus costaricensis).The chemical structure of compounds 1 and 2 were identified by spectroscopic data including UV, IR, NMR-1D, NMR-2D and mass as well as by comparing with previously reported spectral data. Compounds 1 and 2 were reported for the first time from dragon fruit (Hylocereus costaricensis). \u0000Keywords: 7?-Hydoxy ?-sitosterol, ?-sitosterol, Hylocereus costaricensis, steroids.","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"7 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79744133","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p11
I. Wirasuta, M. A. Ningtyas, E. I. Setyawan
Heroine is hydrolyzed spontaneously in water and plasma. This will influence the determination, especially on the drug profiling. Spectrophotodensitometry has been used to analyze drug profiling of illicit heroine. This article reports the AL-TLC separation of heroine, 6-monoacetylmorphine (6-MAM), morphine, acetyl codeine, and the heroine hydrolysis in water and plasma. Heroin, 6-MAM, morphine, and acetyl codeine can be well-separated by mobile phase of toluene:siclohexane:diethyl amine (75:15:10, v/v). The limit of detection was 165.16 ng/spot and the limit of quantification was 550.55 ng/spot. Heroine was hydrolyzed in water and plasma under first order reaction. The rate of reaction was 0.55 min-1 in water with the half time reaction of 12.47 minutes. On the other hand the hydrolysis rate in plasma was slower with the half time of 16 minutes. Keywords : hydrolysis, heroin, water, TLC-spectrophotodensitometer
{"title":"LAJU HIDROLISIS HEROIN DALAM AIR DAN PLASMA","authors":"I. Wirasuta, M. A. Ningtyas, E. I. Setyawan","doi":"10.24843/jchem.2019.v13.i02.p11","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p11","url":null,"abstract":"Heroine is hydrolyzed spontaneously in water and plasma. This will influence the determination, especially on the drug profiling. Spectrophotodensitometry has been used to analyze drug profiling of illicit heroine. This article reports the AL-TLC separation of heroine, 6-monoacetylmorphine (6-MAM), morphine, acetyl codeine, and the heroine hydrolysis in water and plasma. Heroin, 6-MAM, morphine, and acetyl codeine can be well-separated by mobile phase of toluene:siclohexane:diethyl amine (75:15:10, v/v). The limit of detection was 165.16 ng/spot and the limit of quantification was 550.55 ng/spot. Heroine was hydrolyzed in water and plasma under first order reaction. The rate of reaction was 0.55 min-1 in water with the half time reaction of 12.47 minutes. On the other hand the hydrolysis rate in plasma was slower with the half time of 16 minutes. \u0000 \u0000Keywords : hydrolysis, heroin, water, TLC-spectrophotodensitometer","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"87 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83805861","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p04
I. M. Siaka, H. Nurcahyani, I. B. P. Manuaba
Bedugul area is a vegetable producing center in Bali that also develops organic farming. This study aimed to determine the bioavailability of Pb and Cu in an organic farm in Bedugul and the content of both metals in broccoli before planting and at harvest. Metal extraction was carried out through wet digestion and its bioavailability was determined by the application of the sequential extraction methods. The measurement of the two metals was accomplished by using AAS. The total Pb content in the organic soils before and after harvesting were found to be 746.102-897.3754 mg/kg and 277.778-328.88217 mg/kg, while Cu were of 93.1212-11-114.3259 mg/kg, and 48,608-92.3708 mg/kg, respectively. The bioavailability of Pb and Cu in soils before planting was different from that of at harvest. Pb metal in organic soil before planting which were readily bioavailable, bioavailable, and nonbioavailable were were found to be (17.80-21.62)%, (44.07-47.65)%, and (30.73-36, 89 )%, while Cu were of (5.02-7.89)%, (55.73-60.57)%, and (32.81-39.25)%, respectively. The total Pb and Cu contents in broccoli were of (27,2968-30,3621) mg/kg and (27,0303-30,0223) mg/kg, respectively. Keywords: bioavailability, broccoli, organic agriculture soil, Pb and Cu, speciation
{"title":"SPESIASI DAN BIOAVAILABILITAS Pb DAN Cu DALAM TANAH PERTANIAN ORGANIK DI BEDUGUL SERTA KANDUNGAN LOGAM TOTALNYA DALAM SAYUR BROKOLI","authors":"I. M. Siaka, H. Nurcahyani, I. B. P. Manuaba","doi":"10.24843/jchem.2019.v13.i02.p04","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p04","url":null,"abstract":"Bedugul area is a vegetable producing center in Bali that also develops organic farming. This study aimed to determine the bioavailability of Pb and Cu in an organic farm in Bedugul and the content of both metals in broccoli before planting and at harvest. Metal extraction was carried out through wet digestion and its bioavailability was determined by the application of the sequential extraction methods. The measurement of the two metals was accomplished by using AAS. The total Pb content in the organic soils before and after harvesting were found to be 746.102-897.3754 mg/kg and 277.778-328.88217 mg/kg, while Cu were of 93.1212-11-114.3259 mg/kg, and 48,608-92.3708 mg/kg, respectively. The bioavailability of Pb and Cu in soils before planting was different from that of at harvest. Pb metal in organic soil before planting which were readily bioavailable, bioavailable, and nonbioavailable were were found to be (17.80-21.62)%, (44.07-47.65)%, and (30.73-36, 89 )%, while Cu were of (5.02-7.89)%, (55.73-60.57)%, and (32.81-39.25)%, respectively. The total Pb and Cu contents in broccoli were of (27,2968-30,3621) mg/kg and (27,0303-30,0223) mg/kg, respectively. \u0000Keywords: bioavailability, broccoli, organic agriculture soil, Pb and Cu, speciation","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86883948","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p15
N. W. B. S. Devi, I. M. Siaka, K. G. D. Putra
Agriculture in Indonesia generaly applies agrochemical to improve the quality and quantity of the products, but the impact is, both lands and their products could be contaminated by pollutans especially heavy metals. This study aimed to determine the total metals, speciation, and bioavailability of Cu and Zn in organic and inorganic agricultural soils in Blahbatuh District, Gianyar Regency. The sequential extraction method was performed to release the bonds of heavy metals in each soil component and the determination of the metal concentration was carried out using AAS. The total metals of Cu and Zn in both organic and inorganic soils indicated that both type of soils were still classified as uncontaminated soils because the metal contents were below the maximum limit allowed. The total contents of Cu and Zn in the organic soil were of 45.3922 mg/kg and 47.7645 mg/kg, respectively, while Cu and Zn in the inorganic soil were 48.9121 mg/kg ??and 49.9474 mg/kg, respectively. Fractination in the organic and inorganic soil EFLE (easly, freely,leachable, and exchangeable), reducible, oxidisable, dan resistant including F4> F3> F2> F1 for Cu and F4> F3> F1> F2 for Zn. The bioavailability of Cu and Zn in the organic soils were 10.52-23.79% and 3.79-7.21% bioavailable, 10.03-25.50% and 14.99-32.68% potentially bioavailable, 38.64-63.19% and 41.20- 60.28% non bioavailable, while in the inorganic soil and were 18.31-32.63% and 4.54-7.85% bioavailable, 9.86-13.85% and 15.26-32.55% potentially bioavailable, and 40.20-59.14% and 42.84-58.26% non bioavailable. Consuquenthy, both types of the agricultural soils would be safe for planting various types of rice. Keywords: bioavailability, Cu and Zn, speciation, agricultural soil
{"title":"SPESIASI DAN BIOAVAILABILITAS LOGAM BERAT Cu DAN Zn DALAM TANAH PERTANIAN ORGANIK DAN ANORGANIK","authors":"N. W. B. S. Devi, I. M. Siaka, K. G. D. Putra","doi":"10.24843/jchem.2019.v13.i02.p15","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p15","url":null,"abstract":"Agriculture in Indonesia generaly applies agrochemical to improve the quality and quantity of the products, but the impact is, both lands and their products could be contaminated by pollutans especially heavy metals. This study aimed to determine the total metals, speciation, and bioavailability of Cu and Zn in organic and inorganic agricultural soils in Blahbatuh District, Gianyar Regency. The sequential extraction method was performed to release the bonds of heavy metals in each soil component and the determination of the metal concentration was carried out using AAS. The total metals of Cu and Zn in both organic and inorganic soils indicated that both type of soils were still classified as uncontaminated soils because the metal contents were below the maximum limit allowed. The total contents of Cu and Zn in the organic soil were of 45.3922 mg/kg and 47.7645 mg/kg, respectively, while Cu and Zn in the inorganic soil were 48.9121 mg/kg ??and 49.9474 mg/kg, respectively. Fractination in the organic and inorganic soil EFLE (easly, freely,leachable, and exchangeable), reducible, oxidisable, dan resistant including F4> F3> F2> F1 for Cu and F4> F3> F1> F2 for Zn. The bioavailability of Cu and Zn in the organic soils were 10.52-23.79% and 3.79-7.21% bioavailable, 10.03-25.50% and 14.99-32.68% potentially bioavailable, 38.64-63.19% and 41.20- 60.28% non bioavailable, while in the inorganic soil and were 18.31-32.63% and 4.54-7.85% bioavailable, 9.86-13.85% and 15.26-32.55% potentially bioavailable, and 40.20-59.14% and 42.84-58.26% non bioavailable. Consuquenthy, both types of the agricultural soils would be safe for planting various types of rice. \u0000Keywords: bioavailability, Cu and Zn, speciation, agricultural soil","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75436766","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p02
C. Theodora, I. Gunawan, I. M. D. Swantara
The purpose of this experiment was to determine the flavonoid compounds in ethyl acetat extract of gedi leaves (Abelmoschus manihot L.). In this study, the method of extraction was maceration with semipolar solvent (ethyl acetat), flavonoid phytochemical screening, separation and purity test with chromatography and then identification of the compound using FTIR and UV-Vis spectrophotometer with shear reagent method. Analysis of FTIR spectra showed some functional groups such as OH, CH aliphatic, C = O, CO alcohol, C = C aromatic, and CO ether, whereas the analysis with UV-Vis spectra indicated the presence of band I at a wavelength of 409.4 nm and 238.40 nm for band II which is the auron specific wavelength. After the addition of shift reaget, there was a substitutions of OH groups in C-4, C-6 and C-3' and OR at C-4'. The flavonoid compounds contained in ethyl acetate extract of gedi leaf is suggested to be auron, 3',4,6-trihydroxy,4-alkoxy-auron. Keywords: auron, ethyl acetat extract, flavonoids, gedi leaf, isolation
{"title":"ISOLASI DAN IDENTIFIKASI GOLONGAN FLAVONOID PADA EKSTRAK ETIL ASETAT DAUN GEDI (Abelmoschus manihot L.)","authors":"C. Theodora, I. Gunawan, I. M. D. Swantara","doi":"10.24843/jchem.2019.v13.i02.p02","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p02","url":null,"abstract":"The purpose of this experiment was to determine the flavonoid compounds in ethyl acetat extract of gedi leaves (Abelmoschus manihot L.). In this study, the method of extraction was maceration with semipolar solvent (ethyl acetat), flavonoid phytochemical screening, separation and purity test with chromatography and then identification of the compound using FTIR and UV-Vis spectrophotometer with shear reagent method. Analysis of FTIR spectra showed some functional groups such as OH, CH aliphatic, C = O, CO alcohol, C = C aromatic, and CO ether, whereas the analysis with UV-Vis spectra indicated the presence of band I at a wavelength of 409.4 nm and 238.40 nm for band II which is the auron specific wavelength. After the addition of shift reaget, there was a substitutions of OH groups in C-4, C-6 and C-3' and OR at C-4'. The flavonoid compounds contained in ethyl acetate extract of gedi leaf is suggested to be auron, 3',4,6-trihydroxy,4-alkoxy-auron. \u0000Keywords: auron, ethyl acetat extract, flavonoids, gedi leaf, isolation","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78807766","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p06
K. Swandiyasa, N. M. Puspawati, I. Asih
Diseases caused by C. albicans (C. albicans) such as mouth, skin and nail diseases are still commonly found in Indonesia. This study aimed to examine antifungal activity of n-hexane, chloroform, and n-butanol extracts of Santalum album (S.album) leaves in inhibiting the growth of C. albicans and to determine the minimum inhibitory concentration of the most active extract as well as to identify their active compounds. Antifungal activity testing was carried out using disc diffusion method and identification of active compound was performed using LC-MS /MS. Extraction of 1 kg sandalwood leaf powder with methanol yielded 86.80 gram of crude methanol extract. Partiiton 40 gram of the crude methanol extract with n-hexane, chloroform, and n-buthanol gave 12.60, 6.20 and 1.20 g of extracts respectively. The antifungal activity test results revealed that n-hexane extract was the most active in inhibiting the growth of C.albicans with inhibitory diameter of 13 mm as compared to chloroform 9 mm and n-buthanol 8 mm. The active n-hexane extract which is active as an antifungal is then made various variations to obtain a minimum inhibitory. The n-hexane extract, at concentrations of 95, 90 and 85% inhibited the growth of C.albican with inhibitory diameter of 12.04, 15.8, and 13 mm respectively. While at the concentarion of 80 % showed minimum inhibitory diameter of 9.32 mm. Based on analysis mass spectra of two peaks of LC-MS / MS chromatogram with MassLynx V4.1 programe and Chemspider web database suggested the presence of benzofurazan and picolylamine compounds which may contribute to the antifungal activityof n-hexane extract of S.album. Keywords: Sandalwood (Santalum album L.), antifungal, C. albicans, n-Hexane, LC-MS/MS
{"title":"POTENSI EKSTRAK DAUN CENDANA (Santalum album L.) SEBAGAI SENYAWA PENGHAMBAT JAMUR Candida albicans","authors":"K. Swandiyasa, N. M. Puspawati, I. Asih","doi":"10.24843/jchem.2019.v13.i02.p06","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p06","url":null,"abstract":"Diseases caused by C. albicans (C. albicans) such as mouth, skin and nail diseases are still commonly found in Indonesia. This study aimed to examine antifungal activity of n-hexane, chloroform, and n-butanol extracts of Santalum album (S.album) leaves in inhibiting the growth of C. albicans and to determine the minimum inhibitory concentration of the most active extract as well as to identify their active compounds. Antifungal activity testing was carried out using disc diffusion method and identification of active compound was performed using LC-MS /MS. Extraction of 1 kg sandalwood leaf powder with methanol yielded 86.80 gram of crude methanol extract. Partiiton 40 gram of the crude methanol extract with n-hexane, chloroform, and n-buthanol gave 12.60, 6.20 and 1.20 g of extracts respectively. The antifungal activity test results revealed that n-hexane extract was the most active in inhibiting the growth of C.albicans with inhibitory diameter of 13 mm as compared to chloroform 9 mm and n-buthanol 8 mm. The active n-hexane extract which is active as an antifungal is then made various variations to obtain a minimum inhibitory. The n-hexane extract, at concentrations of 95, 90 and 85% inhibited the growth of C.albican with inhibitory diameter of 12.04, 15.8, and 13 mm respectively. While at the concentarion of 80 % showed minimum inhibitory diameter of 9.32 mm. Based on analysis mass spectra of two peaks of LC-MS / MS chromatogram with MassLynx V4.1 programe and Chemspider web database suggested the presence of benzofurazan and picolylamine compounds which may contribute to the antifungal activityof n-hexane extract of S.album. \u0000Keywords: Sandalwood (Santalum album L.), antifungal, C. albicans, n-Hexane, LC-MS/MS","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"49 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74587564","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p13
I. M. Trimastiya, I. S. Negara, O. Ratnayani, I. Simpen
PET is a non-degradable type of plastic that can cause environmental problems. This study aimed to form composites by cross-linking PET with cellulose using Fenton reagent initiator, finding out the effect of the addition of H2O2 on the fenton reagent used as an initiator in the mixture of PET-cellulose composites to water absorption and the rate of degradation in wet and dry soil media. The steps carried out in making PET-cellulose composites was refining PET using swelling techniques, followed by the formation of PET-cellulose composites by cross-linking through free radical reaction using fenton (H2O2/Fe2+) as the initiator with the variation of H2O2 amount (30 grams, 60 grams, 90 grams). The resulting composites were tested for water absorption and degradation properties in wet soil media and dry soil with untreated PET control. Characterization was carried out by functional group analysis using FTIR and its morphology with SEM. The results of the study showed that the composite making using the technique of cross-linking between polyethylene terephthalate and cellulose using fenton reagents was successfully carried out where the degradation rate of PET-cellulose composites slowed as the amount of hydrogen peroxide was used. In PET-cellulose composites, the more amount of H2O2 used, the weaker the absorption of the composite to water was. Keywords: degradable, fenton (H2O2/Fe2+), PET (Polyethylene Tephthalate), cellulose, composite.
{"title":"KOMPOSIT DEGRADABEL POLIETILENA TEREFTALAT DENGAN SELULOSA MENGGUNAKAN REAGEN FENTON (H2O2/Fe2+)","authors":"I. M. Trimastiya, I. S. Negara, O. Ratnayani, I. Simpen","doi":"10.24843/jchem.2019.v13.i02.p13","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p13","url":null,"abstract":"PET is a non-degradable type of plastic that can cause environmental problems. This study aimed to form composites by cross-linking PET with cellulose using Fenton reagent initiator, finding out the effect of the addition of H2O2 on the fenton reagent used as an initiator in the mixture of PET-cellulose composites to water absorption and the rate of degradation in wet and dry soil media. The steps carried out in making PET-cellulose composites was refining PET using swelling techniques, followed by the formation of PET-cellulose composites by cross-linking through free radical reaction using fenton (H2O2/Fe2+) as the initiator with the variation of H2O2 amount (30 grams, 60 grams, 90 grams). The resulting composites were tested for water absorption and degradation properties in wet soil media and dry soil with untreated PET control. Characterization was carried out by functional group analysis using FTIR and its morphology with SEM. The results of the study showed that the composite making using the technique of cross-linking between polyethylene terephthalate and cellulose using fenton reagents was successfully carried out where the degradation rate of PET-cellulose composites slowed as the amount of hydrogen peroxide was used. In PET-cellulose composites, the more amount of H2O2 used, the weaker the absorption of the composite to water was. \u0000Keywords: degradable, fenton (H2O2/Fe2+), PET (Polyethylene Tephthalate), cellulose, composite.","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80825513","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p05
G. A. Amarawati, N. Susanti, N. Laksmiani
Rheumatoid arthritis is an autoimmune disease that occur by inflammation chronic which persist as a permanent symptom. That inflammatory process caused joint destruction. Production of pro-inflammatory sytokin such as Tumor Necrosis Factor Alpha (TNF-?) stimulate an autoimmunity. Active TNF-? plays a role in the occurrence of chronic inflammation, in which the formation of active TNF-? is regulated by TNF-? Converting Enzyme (TACE). Brazilin and brazilein are known to have anti-inflammatory activity and immunommodulator potentially as anti-rheumatoid arthritis. The purpose of this study were to determine the affinity and mechanisms of brazilin and brazilein against TACE proteins as anti-rheumatoid arthritis perfomed using molecular docking method. The study was conducted exploratively with several steps such as databases preparation of 3D structures brazilin, brazilein, TACE protein, optimization of brazilin and brazilein 3D structures, protein preparation, molecular docking method validation, and docking brazilin and brazilein in these proteins. The docking results are assessed from the binding energy and hydrogen bonds formed between brazilin and brazilein in proteins. The smaller value to the binding energy, will made the bond between brazilin and brazilein with proteins will be stronger and more stable. The results showed that brazilin and brazilein have activities as anti-rheumatoid arthritis because they are able to inhibit TACE proteins with respective bond energy values -7,24 for brazilin and – 7,59 kcal/mol for brazilein. These results show that brazilin and brazilein have the potential to inhibit inflammatory process and joint destruction in rheumatoid arthritis. Keywords : brazilin, brazilein, in silico, rheumatoid arthritis
{"title":"AKTIVITAS ANTI-RHEUMATOID ARTHRITIS DARI BRAZILIN DAN BRAZILEIN SECARA IN SILICO","authors":"G. A. Amarawati, N. Susanti, N. Laksmiani","doi":"10.24843/jchem.2019.v13.i02.p05","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p05","url":null,"abstract":"Rheumatoid arthritis is an autoimmune disease that occur by inflammation chronic which persist as a permanent symptom. That inflammatory process caused joint destruction. Production of pro-inflammatory sytokin such as Tumor Necrosis Factor Alpha (TNF-?) stimulate an autoimmunity. Active TNF-? plays a role in the occurrence of chronic inflammation, in which the formation of active TNF-? is regulated by TNF-? Converting Enzyme (TACE). Brazilin and brazilein are known to have anti-inflammatory activity and immunommodulator potentially as anti-rheumatoid arthritis. The purpose of this study were to determine the affinity and mechanisms of brazilin and brazilein against TACE proteins as anti-rheumatoid arthritis perfomed using molecular docking method. The study was conducted exploratively with several steps such as databases preparation of 3D structures brazilin, brazilein, TACE protein, optimization of brazilin and brazilein 3D structures, protein preparation, molecular docking method validation, and docking brazilin and brazilein in these proteins. The docking results are assessed from the binding energy and hydrogen bonds formed between brazilin and brazilein in proteins. The smaller value to the binding energy, will made the bond between brazilin and brazilein with proteins will be stronger and more stable. The results showed that brazilin and brazilein have activities as anti-rheumatoid arthritis because they are able to inhibit TACE proteins with respective bond energy values -7,24 for brazilin and – 7,59 kcal/mol for brazilein. These results show that brazilin and brazilein have the potential to inhibit inflammatory process and joint destruction in rheumatoid arthritis. \u0000Keywords : brazilin, brazilein, in silico, rheumatoid arthritis","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"92 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74820416","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p16
N. Susanti, N. Laksmiani, N. Noviyanti, K. Arianti, I. K. Duantara
Atherosclerosis is a chronic inflammatory disease that begins with endothelial dysfunction, it caused fat accumulation and plaque growth in the inner arteries walls. Endothelial dysfunction will activate the Mitogen Activated Protein Kinase (MAPK) pathway involving ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins, as well as the Nuclear Factor Kappa B (NF-kB) pathway involving IKK proteins. Terpinen-4-ol is constituent found in the bangle rhizome. The purpose of this study were to determine the affinity and mechanisms of terpinen-4-ol against ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins as anti-inflammatory in atherosclerosis performed using molecular docking method. The study was conducted exploratively with several steps such as preparation and optimization of terpinen-4-ol structure, preparation of 3D ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins, validation method of molecular docking, and docking terpinen-4-ol in these proteins. The docking result are assessed from the binding energy and hydrogen bonds formed between terpinen-4-ol and proteins. The smaller value of binding energy terpinen-4-ol with target proteins showed the complex that form more stable. The result showed that terpinen-4-ol and has activity in inhibiting the inflammatory process because it is able to disturb ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins with respective bond energy values -5,12; -5,24; -5,08; -5,88; and -4,99 Kcal/mol. The molecular mechanism in inhibiting the activity of ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins is through the formation of hydrogen bonds in these proteins. These results show that terpinen-4-ol have the potential to inhibit inflammatory process and the formation of atherosclerotic plaque can be obstructed. Keywords : atherosclerosis, terpinen-4-ol, molecular docking, in silico
动脉粥样硬化是一种始于内皮功能障碍的慢性炎症性疾病，它引起动脉内壁脂肪堆积和斑块生长。内皮功能障碍会激活丝裂原活化蛋白激酶(MAPK)通路，涉及ERK1、ERK2、JNK1、JNK2和p38MAPK蛋白，以及涉及IKK蛋白的核因子κ B (NF-kB)通路。松油烯-4-醇是一种存在于根茎中的成分。本研究的目的是通过分子对接方法确定松油烯-4-醇对动脉粥样硬化中ERK1、ERK2、JNK1、JNK2和p38MAPK蛋白的抗炎作用及其机制。本研究通过制备和优化松油烯-4-醇结构，制备3D ERK1、ERK2、JNK1、JNK2和p38MAPK蛋白，验证分子对接方法，将松油烯-4-醇与这些蛋白对接等步骤进行探索性研究。通过松油烯-4-醇与蛋白质之间形成的结合能和氢键来评价对接结果。松油烯-4-醇与靶蛋白的结合能越小，所形成的复合物越稳定。结果表明，松油烯-4-醇和具有抑制炎症过程的活性，因为它能够干扰ERK1、ERK2、JNK1、JNK2和p38MAPK蛋白，其键能值分别为-5,12;5, 24;5, 08年;5, 88;和-4,99 Kcal/mol。抑制ERK1、ERK2、JNK1、JNK2和p38MAPK蛋白活性的分子机制是通过在这些蛋白中形成氢键。这些结果表明，松油烯-4-醇具有抑制炎症过程的潜力，可以阻断动脉粥样硬化斑块的形成。关键词:动脉粥样硬化;松油烯-4-醇;分子对接
{"title":"MOLECULAR DOCKING TERPINEN-4-OL SEBAGAI ANTIINFLAMASI PADA ATEROSKLEROSIS SECARA IN SILICO","authors":"N. Susanti, N. Laksmiani, N. Noviyanti, K. Arianti, I. K. Duantara","doi":"10.24843/jchem.2019.v13.i02.p16","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p16","url":null,"abstract":"Atherosclerosis is a chronic inflammatory disease that begins with endothelial dysfunction, it caused fat accumulation and plaque growth in the inner arteries walls. Endothelial dysfunction will activate the Mitogen Activated Protein Kinase (MAPK) pathway involving ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins, as well as the Nuclear Factor Kappa B (NF-kB) pathway involving IKK proteins. Terpinen-4-ol is constituent found in the bangle rhizome. The purpose of this study were to determine the affinity and mechanisms of terpinen-4-ol against ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins as anti-inflammatory in atherosclerosis performed using molecular docking method. The study was conducted exploratively with several steps such as preparation and optimization of terpinen-4-ol structure, preparation of 3D ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins, validation method of molecular docking, and docking terpinen-4-ol in these proteins. The docking result are assessed from the binding energy and hydrogen bonds formed between terpinen-4-ol and proteins. The smaller value of binding energy terpinen-4-ol with target proteins showed the complex that form more stable. The result showed that terpinen-4-ol and has activity in inhibiting the inflammatory process because it is able to disturb ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins with respective bond energy values -5,12; -5,24; -5,08; -5,88; and -4,99 Kcal/mol. The molecular mechanism in inhibiting the activity of ERK1, ERK2, JNK1, JNK2, and p38MAPK proteins is through the formation of hydrogen bonds in these proteins. These results show that terpinen-4-ol have the potential to inhibit inflammatory process and the formation of atherosclerotic plaque can be obstructed. \u0000Keywords : atherosclerosis, terpinen-4-ol, molecular docking, in silico","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"281 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76790440","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}
Pub Date : 2019-07-31DOI: 10.24843/jchem.2019.v13.i02.p10
I. W. Suirta, I. Asih
Betel leaf extract supplements, Piper betle Lin , was made by extracting maceration of betel leaves with ethanol 96%. Phytochemical screening of betle leaf extract obtained secondary metabolites such as : terpenoids, steroids, phenolics, and saponins . The results of the antioxidant activity test test showed that n-hexane fraction was more reactive as an antioxidant (IC50 26,73 mg/L) than the diethyl ether fraction (IC50 114,54 mg/L). The MDA analysis showed that the betel leaves have a very good ability to reduce MDA levels. The concentration of MDA with addition of allopurinol (as positive control) was 0,41±0,0021?L/mL, while with addition of betel leaves the level was 0,44±0,0021?L/mL. The structure identification obtained active antioxidant compounds such as: cavicol, eugenol, caryophilene and isoeugenol. Keywords : betel leaf, malondialdehyde, Piper betle, wistar rat
{"title":"SUPLEMEN EKSTRAK DAUN SIRIH, Piper betle, Lin DALAM MENURUNKAN KADAR MALONDIALDEHID PADA TIKUS WISTAR","authors":"I. W. Suirta, I. Asih","doi":"10.24843/jchem.2019.v13.i02.p10","DOIUrl":"https://doi.org/10.24843/jchem.2019.v13.i02.p10","url":null,"abstract":"Betel leaf extract supplements, Piper betle Lin , was made by extracting maceration of betel leaves with ethanol 96%. Phytochemical screening of betle leaf extract obtained secondary metabolites such as : terpenoids, steroids, phenolics, and saponins . The results of the antioxidant activity test test showed that n-hexane fraction was more reactive as an antioxidant (IC50 26,73 mg/L) than the diethyl ether fraction (IC50 114,54 mg/L). The MDA analysis showed that the betel leaves have a very good ability to reduce MDA levels. The concentration of MDA with addition of allopurinol (as positive control) was 0,41±0,0021?L/mL, while with addition of betel leaves the level was 0,44±0,0021?L/mL. The structure identification obtained active antioxidant compounds such as: cavicol, eugenol, caryophilene and isoeugenol. \u0000Keywords : betel leaf, malondialdehyde, Piper betle, wistar rat","PeriodicalId":17780,"journal":{"name":"Jurnal Kimia","volume":"25 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89517207","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}
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