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Isolation, Structure Determination, and Cytotoxic Activity of Steroid Compound from The Stem Bark of Aglaia cucullata (Meliaceae) 木兰花茎皮甾类化合物的分离、结构测定及细胞毒活性研究
Pub Date : 2023-08-31 DOI: 10.14710/jksa.26.6.217-223
Kindi Farabi, Desi Harneti, Nurlelasari Nurlelasari, Tri Mayanti, Rani Maharani, Unang Supratman
Steroids are one of the secondary metabolite groups that are abundant in many organisms. In plants, this type of compound is called phytosterols. Phytosterols have been widely known to show many potential bioactivities such as anti-inflammatory, induced apoptosis, cytotoxic, anti-diabetic, angiogenic, and antioxidant. One of the sources of phytosterol compounds is the genus Aglaia. As the largest genus in the Meliaceae family, the genus Aglaia contains many bioactive compounds, including steroids. This research reported the isolation, structural determination, and cytotoxic activity of steroid compounds from the stem bark of Aglaia cucullata, one of the members of the Aglaia genus. Pure isolated steroid was obtained after maceration of dried stem bark with ethanol and partitioned based on difference polarity, continued by column chromatography. Spectroscopic methods, including HRMS, FTIR, 1D and 2D NMR, were used for structural determination. The compound structure identified as stigmast-5-en-3β-ol-3β-oleate was first isolated from this species. MCF-7 breast cancer cell, B16-F10 melanoma cell, and CV-1 normal fibroblast kidney cell were used to evaluate its cytotoxicity. Stigmast-5-en-3β-ol-3β-oleate displayed low cytotoxicity against those two cancer cells and a normal cell.
类固醇是许多生物体中丰富的次级代谢物群之一。在植物中,这种化合物被称为植物甾醇。植物甾醇具有抗炎、诱导细胞凋亡、细胞毒性、抗糖尿病、血管生成和抗氧化等多种潜在的生物活性。植物甾醇化合物的来源之一是草属植物。作为Meliaceae家族中最大的属,Aglaia属含有许多生物活性化合物,包括类固醇。本文报道了木兰花属植物木兰花(Aglaia cucullata)茎皮中甾类化合物的分离、结构测定和细胞毒活性。干燥的茎皮经乙醇浸渍后,根据极性差异进行分离,再进行柱层析,得到纯甾体分离物。采用HRMS、FTIR、1D和2D NMR等光谱分析方法进行结构分析。该化合物结构为5-烯-3β-醇-3β-油酸酯,首次从该物种中分离得到。用MCF-7乳腺癌细胞、B16-F10黑色素瘤细胞和CV-1正常成纤维肾细胞评价其细胞毒性。5-烯-3β-醇-3β-油酸酯对这两种癌细胞和一个正常细胞表现出较低的细胞毒性。
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引用次数: 0
The Synthesis and Characterization of Pahae Natural Zeolite-Coal Bottom Ash Adsorbent for Fe and Mn Purifier in Well Water Pahae天然沸石-煤底灰吸附剂的合成与表征
Pub Date : 2023-08-22 DOI: 10.14710/jksa.26.6.211-216
Susilawati Susilawati, Nurul Syafina Lubis, Khatarina Meldawati Pasaribu
Zeolite is a porous crystalline mineral alumina silica tetrahydrate that has an open three-dimensional framework structure that has channels and cavities filled with metal ions, while Bottom ash is also known to have high porosity and surface area. Thus, both zeolite and bottom ash can be used as adsorbents. This study aims to make an adsorbent based on Pahae natural zeolite with a mixture of bottom ash from coal as an adsorbent for iron (Fe) and manganese (Mn) metals in well water. Adsorbent made from Natural Zeolite Pahae-Coal Bottom Ash with a size of 200 mesh (74 µm) which has been chemically activated with 1 M NaOH solution, was prepared with various compositions of (100:0)%, (95:5)%, (90:10)%, (85:15)%, (80:20)%, (75:25)% respectively, then mold using a hydraulic press with a load of 6 tons of weight for 10 minutes. The mold samples were then physically activated with temperature variations of 600°C, 700°C, and 800°C for 4 hours, respectively. The addition of coal bottom ash filler is known to increase the porosity of the adsorbent with the composition of (75:25)% with an activated temperature of 800°C by 10%. The results of the AAS test showed that the adsorbent made from Natural Zeolite Pahae-Coal Bottom Ash reduced the content of Fe and Mn metals by 92.37% and 53.49% in well water, respectively.
沸石是一种多孔晶体矿物四水氧化铝二氧化硅,具有开放的三维框架结构,具有充满金属离子的通道和空腔,而底灰也具有较高的孔隙率和表面积。因此,沸石和底灰都可以作为吸附剂。本研究旨在以Pahae天然沸石为基材,以煤底灰混合制备吸附剂,作为井水中铁(Fe)和锰(Mn)金属的吸附剂。以200目(74µm)的天然沸石pahae -煤底灰为吸附剂,经1m NaOH溶液化学活化,分别配制成(100:0)%、(95:5)%、(90:10)%、(85:15)%、(80:20)%、(75:25)%等不同配比的吸附剂,在负载6吨重量的液压机上成型10分钟。然后将模具样品分别在600°C、700°C和800°C的温度变化下物理激活4小时。已知添加煤底灰填料可使组分为(75:25)%、活化温度为800℃的吸附剂的孔隙率提高10%。原子吸收光谱(AAS)测试结果表明,天然沸石-煤底灰制备的吸附剂对井水中铁和锰金属的含量分别降低了92.37%和53.49%。
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引用次数: 0
Isolation, Identification, and Antibacterial Testing of Essential Oil from Green Betel Leaf (Piper Betle L.) Using Well Diffusion Method 槟榔叶挥发油的分离、鉴定及抑菌试验井扩散法
Pub Date : 2023-08-22 DOI: 10.14710/jksa.26.6.224-229
Enny Fachriyah, Hafizdah Fadillah, Purbowatiningrum Ria Sarjono, Ismiyarto Ismiyarto
Green betel leaves have been traditionally employed within communities for various medicinal purposes, owing to their rich composition. These leaves are endowed with secondary metabolites encompassing flavonoids, phenols, saponins, and essential oils. Notably, the essential oils within green betel leaves possess a spectrum of biological properties, including antioxidant, antifungal, antidiabetic, anti-inflammatory, antibacterial, antitumor, anti-Alzheimer's, and anti-carcinogenic activities. In this study, the essential oil from green betel leaf collected from Klaten, Central Java, Indonesia, was isolated using water-steam distillation. The components of this isolate were identified using GC-MS analysis. Antibacterial activity was assessed against Staphylococcus epidermidis ATCC 12228 (S. epidermidis) and Escherichia coli (E. coli) using the well-diffusion method at various concentrations (25%, 50%, 75%, 90%, and 100%). Chloramphenicol served as the positive control, while a solution of Tween 20 in distilled water used as the negative control. The essential oil derived from green betel leaves exhibited a brownish-yellow color, possessed a distinctive betel aroma, and had a concentration of 0.21% v/w, a refractive index of 1.5001, and a specific gravity of 0.961 g/mL. The GC-MS analysis revealed the presence of 44 components, with the five most abundant constituents being acetyl chavicol (20.65%), germacrene- D (11.55%), eugenol (8.94%), trans-caryophyllene (7.92%), and chavicol (5.74%). Regarding antibacterial activity, the isolate demonstrated strong activity against S. epidermidis ATCC 12228 at a concentration of 75%, yielding an inhibition zone diameter of 12.33 mm. Similarly, it exhibited strong activity against E. coli at a concentration of 90%, resulting in an inhibition zone diameter of 12.67 mm.
由于其丰富的成分,传统上,槟榔叶在社区内被用于各种药用目的。这些叶子具有次生代谢物,包括类黄酮、酚类、皂苷和精油。值得注意的是,槟榔叶中的精油具有一系列的生物学特性,包括抗氧化、抗真菌、抗糖尿病、抗炎、抗菌、抗肿瘤、抗阿尔茨海默氏症和抗癌活性。本研究采用水-蒸汽蒸馏法对采自印度尼西亚中爪哇Klaten的槟榔叶精油进行分离。采用气相色谱-质谱法对该分离物的成分进行了鉴定。采用孔扩散法测定不同浓度(25%、50%、75%、90%和100%)对表皮葡萄球菌ATCC 12228 (S. epidermidis)和大肠杆菌(E. coli)的抑菌活性。以氯霉素为阳性对照,以Tween 20蒸馏水溶液为阴性对照。从槟榔叶中提取的精油呈棕黄色,具有独特的槟榔香气,其浓度为0.21% v/w,折射率为1.5001,比重为0.961 g/mL。GC-MS分析共鉴定出44种成分,其中含量最高的5种成分分别为乙酰chavicol(20.65%)、germacrene- D(11.55%)、丁香酚(8.94%)、反式石竹烯(7.92%)和chavicol(5.74%)。抑菌活性方面,该分离物在75%浓度下对表皮葡萄球菌ATCC 12228具有较强的抑菌活性,抑菌带直径为12.33 mm。同样,在浓度为90%时对大肠杆菌表现出较强的抑制活性,抑制带直径为12.67 mm。
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引用次数: 0
Synthesis of Ethylenediamine Modified Chitosan Beads for Biodiesel Production Catalyst: A Preliminary Study 生物柴油催化剂乙二胺改性壳聚糖微球的合成初探
Pub Date : 2023-08-14 DOI: 10.14710/jksa.26.6.230-237
Indah Permata Cantika, Muhammad Ali Zulfikar, Handajaya Rusli
Biodiesel is an alternative fuel that can be easily produced through transesterification with the assistance of a catalyst. Palm oil is a widely utilized feedstock for biodiesel production due to its abundant availability. In this study, a catalyst was synthesized using chitosan (CS) modified with ethylenediamine (EDA) and cross-linked with epichlorohydrin (ECH) for a catalyst heterogeneous in transesterification reaction. The resulting product (CS/EDA/ECH) was characterized using Fourier-transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). Its performance was evaluated for biodiesel production. The CS/ECH/EDA catalyst achieved optimal reaction conditions with 5% EDA concentration at room temperature, an oil: methanol ratio of 1:1 (v/v), a total volume of 10 mL of oil and methanol, and a catalyst mass of 0.75 grams. The methyl esters formed corresponded to the fatty acid content in palm kernel, namely methyl palmitate, methyl 9,10-octadecadienoate, methyl oleate, methyl 12,13-tetradecadienoate, and methyl stearate with the highest methyl ester conversion is methyl oleate. The CS/ECH/EDA catalyst exhibited consistent performance after three use cycles.
生物柴油是一种替代燃料,在催化剂的辅助下通过酯交换反应可以很容易地生产出来。棕榈油由于其丰富的可用性而被广泛应用于生物柴油的生产。本研究以乙二胺(EDA)改性壳聚糖(CS)与环氧氯丙烷(ECH)交联为催化剂,合成了一种多相酯交换反应催化剂。利用傅里叶变换红外光谱(FTIR)和扫描电镜(SEM)对产物CS/EDA/ECH进行了表征。对其在生物柴油生产中的性能进行了评价。CS/ECH/EDA催化剂的最佳反应条件为:室温下,EDA浓度为5%,油甲醇比为1:1 (v/v),油甲醇总量为10 mL,催化剂质量为0.75 g。棕榈仁中形成的甲酯与脂肪酸含量相对应,即棕榈酸甲酯、9、10-十八烯二酸甲酯、油酸甲酯、12、13-十四烯二酸甲酯,硬脂酸甲酯转化率最高的是油酸甲酯。CS/ECH/EDA催化剂经过3次循环使用后表现出一致的性能。
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引用次数: 0
Molecular Docking of Active Compounds of Syzygium myrtifolium Walp. Leaves on Leukotriene A4 Hydrolase Receptors as Colorectal Anticancer 桃金娘活性化合物的分子对接。叶片上白三烯A4水解酶受体的结直肠癌抗癌作用
Pub Date : 2023-08-08 DOI: 10.14710/jksa.26.5.194-203
Daini Amanah, Rosario Trijuliamos Manalu, Munawarohthus Sholikha, Vilya Syafriana, Yasman Yasman
Active compounds found in Syzygium myrtifolium Walp. leaves such as flavonoids, phenolics, and betulinic acid are known to have pharmacological activities. This research aimed to find active compounds found in Syzygium myrtifolium Walp. leaves, which have anticancer activity by inhibiting the protein leukotriene A4 hydrolase. Molecular docking methods are used to predict the activity and affinity between ligand-proteins. The research was conducted in silico on the active compound in Syzygium myrtifolium Walp. leaves, which met the five criteria of Lipinski’s rule for leukotriene A4 hydrolase with PDB code 3U9W. The software used were YASARA, MarvinSketch, and PLANTS, which can optimize ligands and bind ligand molecules to receptors. Then it was visualized using Discovery Studio Visualizer and analyzed the prediction of pharmacokinetics and toxicity. Docking results show that the four active compounds from the leaves of Syzygium myrtifolium Walp., namely bis (2-ethylhexyl) hexanedioate, 3-octadecyne, 1- octadecene, and (2E,6E)-farnesol have a lower docking score compared to bestatin; therefore, these four compounds have the potential to inhibit leukotriene A4 hydrolase receptors and can be candidates for colorectal anticancer compounds.
桃金娘中的活性化合物。叶子如黄酮类化合物、酚类物质和白桦酸已知具有药理活性。本研究旨在发现桃金娘中的活性成分。它通过抑制蛋白质白三烯A4水解酶而具有抗癌活性。分子对接方法用于预测配体蛋白之间的活性和亲和力。对桃金娘中的活性成分进行了硅晶法研究。符合白三烯A4水解酶Lipinski规则的5个标准,PDB编码3U9W。使用的软件有YASARA, marvinssketch和PLANTS,这些软件可以优化配体并将配体分子与受体结合。然后用Discovery Studio Visualizer将其可视化,并分析预测药代动力学和毒性。对接结果表明,从桃金娘叶中提取的四种活性化合物。,即双(2-乙基己基)己烯二酸酯、3-十八烯、1-十八烯和(2E,6E)-法尼醇的对接得分较低;因此,这四种化合物具有抑制白三烯A4水解酶受体的潜力,可以作为结直肠癌抗癌化合物的候选化合物。
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引用次数: 0
Synthesis of Molecularly Imprinted Membrane Glucose for Selective Membrane Transport 选择性膜转运用分子印迹膜葡萄糖的合成
Pub Date : 2023-07-17 DOI: 10.14710/jksa.26.5.178-186
M. C. Djunaidi, Henita Saulia Utari, Khabibi Khabibi
Molecularly Imprinted Membrane (MIM) was synthesized using polyeugenoxy acetic acid as the functional polymer, polyethylene glycol as the crosslinker agent, and polysulfone as a base membrane which was applied as a selective glucose membrane transport, and the immersion time expected to determine the transport capability of the membrane. This study aimed to determine the selectivity and transport properties of the MIM and NIM membranes. NIM was used as a control for MIM to research the selectivity test. In comparison, MIM has a template, while NIM is without a template. In this study, eugenol derivatives were synthesized through a polymerization reaction using a BF3-diethylether catalyst polymerized for 16 hours to produce polyeugenoxy acetic acid (PA). The PA was contacted with 7500 ppm glucose. PA-glucose produced an imprinted membrane, while PA produced a non-imprinted membrane. The membrane thickness was measured with a micrometer, resulting in a measurement range of 0.08–0.10 mm. The best transport result was achieved at the membrane passage of 24 hours of immersion time because the effect of membrane immersion time can increase the porosity, hydrophilicity, and membrane’s transport ability. Transport with MIM membrane shows better and more selective results than NIM. This confirms the existence of a glucose template on the MIM membrane, which causes the MIM membrane to recognize glucose and transport glucose better than fructose. This study’s advantages include learning how immersion time affects membrane production and determining how well MIM and NIM membranes transport and select glucose and fructose. Furthermore, membrane characterizations were done using FTIR to identify functional groups, SEM-EDX to analyze the shape of the membrane, and a UV-Vis spectrophotometer to analyze the membrane’s selectivity and transport capabilities.
以聚乙氧基乙酸为功能聚合物,聚乙二醇为交联剂,聚砜为基膜,合成了分子印迹膜(MIM),聚砜作为葡萄糖膜的选择性转运载体,浸渍时间决定了膜的转运能力。本研究旨在确定MIM和NIM膜的选择性和传输特性。采用NIM作为MIM的对照,对选择性试验进行了研究。相比之下,MIM有一个模板,而NIM没有模板。在本研究中,使用聚合16小时的BF3二乙醚催化剂通过聚合反应合成丁香酚衍生物,以生产聚丁香酚乙酸(PA)。将PA与7500ppm葡萄糖接触。PA葡萄糖产生印迹膜,而PA产生非印迹膜。用千分尺测量膜厚度,测量范围为0.08–0.10 mm。在膜通过24小时的浸渍时间时获得了最佳的传输结果,因为膜浸渍时间的影响可以增加孔隙率、亲水性和膜的传输能力。与NIM相比,MIM膜的传输显示出更好和更具选择性的结果。这证实了MIM膜上存在葡萄糖模板,这导致MIM膜比果糖更好地识别葡萄糖和运输葡萄糖。这项研究的优势包括了解浸泡时间如何影响膜的生产,以及确定MIM和NIM膜运输和选择葡萄糖和果糖的能力。此外,使用FTIR鉴定官能团,SEM-EDX分析膜的形状,并使用UV-Vis分光光度计分析膜的选择性和传输能力,对膜进行了表征。
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引用次数: 0
Thin Layer Chromatography Fingerprint Analysis of Tempuyung (Sonchus arvensis L.) 天普雍药材的薄层指纹图谱分析
Pub Date : 2023-07-04 DOI: 10.14710/jksa.26.5.187-193
Sri Fauziah, Puput Melati, A. H. Mulyati, M. Rafi, E. Rohaeti
Thin layer chromatography (TLC) fingerprint profile analysis can be used for quality control of herbal medicinal raw materials through identification, authentication, and discrimination. This study aims to develop a fingerprint analysis method for tempuyung TLC (Sonchus arvensis L.), which is then used for quality control. Tempuyung was extracted with methanol using ultrasonication which was then analyzed using the developed fingerprint TLC method. The optimum mobile phase used to separate compounds from tempuyung was a composition of chloroform: ethyl acetate: dichloromethane: formic acid (7.5:2:0.5:0.1) and produced eleven bands. The mobile phase composition produced good separation and had a typical luteolin band with an Rf value of 0.22, detected under UV 366 nm and derivatized with 10% sulfuric acid reagent. This method was applied to tempuyung from three locations, including Malang, Solo, and Yogyakarta, whose fingerprint patterns did not differ significantly. The fingerprint method has been validated and met the acceptance requirements for quality control of tempuyung.
薄层色谱(TLC)指纹图谱分析可用于中药材原料的鉴别、鉴别、鉴别等质量控制。本研究旨在建立天普雍薄层色谱的指纹图谱分析方法,并用于质量控制。采用甲醇超声提取坦普雍,并采用建立的指纹薄层色谱法对其进行分析。以氯仿:乙酸乙酯:二氯甲烷:甲酸(7.5:2:0.5:0.1)为最佳流动相,得到了11条色谱带。流动相组成分离效果好,具有典型的木犀草素带,Rf值为0.22,在366 nm紫外下检测,用10%硫酸试剂衍生。将该方法应用于玛琅、梭罗和日惹3个地点的坦普雍,其指纹图谱差异不显著。指纹图谱法经验证,符合坦普永质量控制验收要求。
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引用次数: 0
Biosensor based on Cellulose Acetate/Glutaraldehyde Membrane Electrodes for detection of organophosphorus pesticides 基于醋酸纤维素/戊二醛膜电极的有机磷农药生物传感器
Pub Date : 2023-06-22 DOI: 10.14710/jksa.26.5.160-165
M. Mashuni, F. Hamid, M. Jahiding, Andi Muhammad Naufal Khaeri
In recent years, sensor applications have been critical in many fields, especially food safety and pesticides. Organophosphorus pesticides (OPPs) can be detected using a potentiometric biosensor with a membrane electrode made of a new natural material based on cellulose acetate (CA). Acetylcholinesterase was immobilized to 15% modified CA membrane electrodes using glutaraldehyde (GTA) as crosslinking agent and gold (Au) electrode. An indirect method used an acetylthiocholine chloride (ATCl) substrate to find OPPs like chlorpyrifos, profenophos, and diazinon. The working electrode was an CA/GTA membrane electrode, and the reference electrode was an Ag/AgCl electrode, whose potential value was measured with a potentiometer. The surface morphology of the biosensor membrane was investigated using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM/EDX). It showed that the CA membrane has a smooth, porous surface and is very dense, and its structure consists of 71.27% carbon (C) and 28.73% oxygen (O) with an average diameter of 562.33 nm. A potentiometric biosensor based on AChE inhibition for the detection of OPPs showed a limit of detection (LoD) of 1×10−6 μg/L with a linearity range of 1×10−6–1.0 μg/L. The %inhibition value for the chlorpyrifos pesticide was 14.44 to 73.08%, profenophos was 11.98 to 77.98%, and diazinon was 18.58 to 83.27%. Therefore, higher inhibitor concentrations (OPPs) have a greater ability to prevent the AChE enzyme from breaking down the acetylcholine substrate. The biosensor with the CA membrane has a wide linearity range and a low detection limit. The potentiometer rapidly detects pesticide residues.
近年来,传感器在许多领域的应用至关重要,尤其是食品安全和农药。有机磷农药(OPP)可以使用电位生物传感器进行检测,该生物传感器具有由基于醋酸纤维素(CA)的新型天然材料制成的膜电极。以戊二醛(GTA)为交联剂,金(Au)为电极,将乙酰胆碱酯酶固定在15%改性的CA膜电极上。一种间接方法使用乙酰硫胆碱氯化物(ATCl)底物来寻找OPP,如毒死蜱、丙诺磷和二嗪农。工作电极是CA/GTA膜电极,参比电极是Ag/AgCl电极,其电势值用电位计测量。利用扫描电子显微镜和能量色散X射线光谱(SEM/EDX)研究了生物传感器膜的表面形态。结果表明,CA膜表面光滑、多孔、致密,其结构由71.27%的碳(C)和28.73%的氧(O)组成,平均直径为562.33nm。基于AChE抑制的电位生物传感器检测OPPs的检测限(LoD)为1×10−6μg/L,线性范围为1×10−6–1.0μg/L。对毒死蜱农药的%抑制率为14.44~73.08%,对丙诺磷为11.98~77.98%,对二嗪农为18.58~83.27%。具有CA膜的生物传感器具有宽的线性范围和低的检测极限。电位计能快速检测农药残留。
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引用次数: 0
The potential of Myricitrin, a Flavonoid Compound in Eugenia polyantha from Indonesia, as an Antiviral Drug for SARS-Cov-2 through the Molecular Docking Analysis 通过分子对接分析,印尼多叶Eugenia polyantha中的黄酮类化合物Myricitrin作为严重急性呼吸系统综合征冠状病毒2型抗病毒药物的潜力
Pub Date : 2023-06-22 DOI: 10.14710/jksa.26.5.166-177
Syamsul Falah, L. Ambarsari, Dimas Andrianto, Rini Kurniasih, Sanro Tachibana
A Flavonoid glycoside compound, isolated and identified from E. polyantha as myricitrin, was analyzed as a ligand for its molecular binding activity against SARS-CoV-2 protein (receptor binding domain on Spike/RBD, main protease/nsp5, EndoRNAse, RNA-dependent-RNA-polymerase/RdRp), and its receptor, ACE2, and computationally assessed via molecular docking method. This study aims to determine the potential of myricitrin in E. polyantha from Indonesia as an antiviral drug for SARS-CoV-2 through molecular docking and molecular dynamic simulation analysis. The results showed that the myricitrin had the strongest binding affinity energy towards the three important SARS-CoV-2 proteins, namely endoRNAse, main protease (3CLpro), and RdRp with ∆G values of −9.60 kcal/mol, −8.40 kcal/mol, and −8.30 kcal/mol, respectively. These values are stronger than the comparator ligands of favipiravir (−5.60 kcal/mol), atazanavir (−7.20 kcal/mol), and remdesivir (−7.70 kcal/mol). This indicated that the compound has the potential as an inhibitor against 3CLpro, endoRNAse, and RdRp of SARS-CoV-2 proteins. This result was supported by the prediction made according to the Molprobity and PASS Online web servers, which showed that myricitrin has high bioactivity potential as an enzyme inhibitor (with a score of 0.38) and antiviral (with a score of 0.704).
从E.polyantha中分离并鉴定为肉豆蔻苷的黄酮苷化合物作为配体,分析其对严重急性呼吸系统综合征冠状病毒2型蛋白(Spike/RBD、主蛋白酶/nsp5、EndoRNAse、RNA依赖性RNA聚合酶/RdRp上的受体结合域)及其受体ACE2的分子结合活性,并通过分子对接法进行计算评估。本研究旨在通过分子对接和分子动力学模拟分析,确定印度尼西亚多兰香中杨梅素作为严重急性呼吸系统综合征冠状病毒2型抗病毒药物的潜力。结果表明,杨梅素对三种重要的严重急性呼吸系统综合征冠状病毒2型蛋白,即内切酶、主要蛋白酶(3CLpro)和RdRp具有最强的结合亲和力,∆G值分别为−9.60 kcal/mol、−8.40 kcal/mol和−8.30 kcal/mol/mol。这些值强于法匹拉韦(−5.60 kcal/mol)、阿扎那韦(−7.20 kcal/ol)和瑞德西韦(−7.70 kcal/mol.)的对照配体。这表明该化合物具有对抗严重急性呼吸系统综合征冠状病毒2型蛋白的3CLpro、endoRNAse和RdRp的抑制剂的潜力。根据Molprobity和PASS Online网络服务器进行的预测支持了这一结果,该预测表明肉豆蔻苷作为酶抑制剂(得分0.38)和抗病毒药物(得分0.704)具有高的生物活性潜力。
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引用次数: 0
Titanium Dioxide (TiO2) Modified Bentonite for Photodegradation in Methylene Blue Dye 二氧化钛改性膨润土在亚甲基蓝染料中的光降解研究
Pub Date : 2023-06-15 DOI: 10.14710/jksa.26.4.143-150
Sri Hilma Siregar, P. Prasetya, Norramizawati Norramizawati, Marlian Marlian, Aulia Rizki Ramadhanti
Dye is one of the waste waters, which will be a problem if the content is excessive in the water. Modifying bentonite with titanium dioxide (TiO2) as a photocatalyst for removal of dye waste. In this study, composite synthesis was carried out by mixing bentonite and TiO2 suspensions. The mass of bentonite is 20 g, and the mass variations of TiO2 are 10%, 20%, 30%, 40%, 50%, 60%, 70%, 80%, 90%, and 100%. The resulting composite was heated using a furnace at 550°C for 5 hours. Bentonite-TiO2 composites were characterized using Fourier Transform Infrared, X-Ray Diffraction, and Scanning Electron Microscope-Energy Dispersive X-Ray (SEM-EDX). Photodegradation of methylene blue dye with bentonite-TiO2 was carried out by varying the mass of bentonite-TiO2 photocatalysts (0.02, 0.04, 0.06, 0.08 g); variations in pH (1, 3, 5, 7, and 9), and variations in UV irradiation time (30, 60, 90, and 120 minutes). The results of characterization with FTIR showed the presence of Ti-O-Ti vibrations at wavenumber 1419 cm-1 and Si-O-Ti at wave numbers 780 cm-1 and 799 cm-1. Characterization of 20% bentonite-TiO2 by XRD showed rutile, anatase, and montmorillonite phases. The SEM-EDX bentonite-TiO2 characterization results produced some small particles with a layered structure with TiO2 particles clumping and still in the form of agglomerates, and the EDX results showed the chemical composition of Si and Ti. The results of photodegradation showed that the best activity for the bentonite-TiO2 composite occurred in photocatalyst BT-20% with a mass of 0.08 g, pH 1, and UV irradiation time of 120 minutes with methylene blue 99.942% degraded.
染料是废水之一,如果水中的染料含量过高,这将是一个问题。用二氧化钛(TiO2)作为光催化剂改性膨润土以去除染料废物。在本研究中,通过混合膨润土和TiO2悬浮液进行复合合成。膨润土的质量为20g,TiO2的质量变化为10%、20%、30%、40%、50%、60%、70%、80%、90%和100%。使用熔炉在550°C下加热所得复合材料5小时。利用傅立叶变换红外光谱、X射线衍射和扫描电子显微镜能量分散X射线(SEM-EDX)对膨润土-TiO2复合材料进行了表征。通过改变膨润土-TiO2光催化剂(0.02、0.04、0.06、0.08g)的质量,用膨润土/TiO2对亚甲基蓝染料进行光降解;pH的变化(1、3、5、7和9),以及紫外线照射时间的变化(30、60、90和120分钟)。用FTIR表征的结果显示在波数1419cm-1处存在Ti-O-Ti振动,在波数780cm-1和799cm-1处出现Si-O-Ti。通过XRD对20%膨润土-TiO2的表征显示金红石、锐钛矿和蒙脱石相。SEM-EDX膨润土-TiO2表征结果产生了一些具有层状结构的小颗粒,TiO2颗粒结块且仍呈团聚体形式,EDX结果显示了Si和Ti的化学组成。光降解结果表明,膨润土-TiO2复合材料的最佳活性出现在质量为0.08g、pH为1、,紫外线照射时间为120分钟,亚甲基蓝降解率为99.942%。
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