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Ultrafiltration as a simple purification method of a water extract of common bean seed as a natural coagulant 超滤作为一种简单的天然混凝剂净化普通豆籽水提取物的方法
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-07-01 DOI: 10.2298/hemind200304018p
J. Prodanović, Bojana Šarić, M. Šćiban, D. Kukić, V. Vasić, S. Popović, M. Antov
Natural coagulants from a crude water extract of common bean seed showed very good efficiency of turbidity removal from water of ~89 % under optimal coagulation conditions, which were determined using response surface methodology (RSM). However, they also increased the content of organic matter in treated model water by ~66 %, which is the main drawback of usage of natural coagulants, in general. Thus, ultrafiltration was applied for processing of the crude water extract in order to separate biomolecules, which exhibit the coagulation activity. Four fractions obtained by ultrafiltration were applied in coagulation tests under the same conditions as the crude extract, and the 4 th fraction (molecules with molecular weights >30 kDa) with the predominant content of proteins with molecular weights 50 – 60 kDa, achieved almost as high efficiency of turbidity removal (75 %) as the crude extract. At the same time, the content of organic matter in treated water increased just for 16 % in comparison to the blank (model water processed in the same way but without coagulant). After optimization of process parameters by RSM for usage of the 4 th fraction, the coagulation activity increased further to 80 %.
响应面法(RSM)测定了在最佳混凝条件下,从普通豆籽粗提物中提取的天然混凝剂对水中浊度的去除率为89%。然而,它们也使处理过的模型水中的有机物含量增加了约66%,这是使用天然混凝剂的主要缺点。因此,超滤被应用于粗水提取物的处理,以分离表现出凝血活性的生物分子。在与粗提取物相同的条件下,将通过超滤获得的四个组分应用于混凝试验,第四个组份(分子量>30kDa的分子)主要含有分子量50-60kDa的蛋白质,其除浊效率几乎与粗提取物一样高(75%)。同时,与空白(以相同方式处理但不含混凝剂的模型水)相比,处理水中的有机物含量仅增加了16%。通过RSM优化第4级分的工艺参数后,混凝活性进一步提高到80%。
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引用次数: 1
Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol 含乙酸乙酯和1-丙醇或1-丁醇二元体系的热物理性质分析
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-07-01 DOI: 10.2298/hemind191203017m
D. Majstorović, M. Mirković, M. Kijevčanin, E. Živković
The aim of this research is the experimental determination of density, viscosity, refractive index and speed of sound for binary mixtures of the ester ethyl acetate and alcohols. Experimental measurements were carried out for two systems with 1-propanol and 1-butanol at atmospheric pressure and in a temperature range 288.15 - 323.15 K. Results of experimental measurements were further used to determine excess molar volumes, viscosity deviations, refractive index deviations, and excess isentropic compressibility for each investigated mixture. These calculated data were correlated using the empirical Redlich-Kister equation. Positive values of the excess molar volume and isentropic compressibility appear for both analysed systems, while values of viscosity and refractive index deviations are negative. The structure and specific characteristics of different molecules in considered mixtures and determined non-ideal behaviour allow the insight into the possible type of interactions in the mixture, interstitial accommodation and structural effects.
本研究的目的是实验测定醋酸乙酯和醇的二元混合物的密度、粘度、折射率和声速。在常压下,在288.15 ~ 323.15 K的温度范围内,对1-丙醇和1-丁醇两种体系进行了实验测量。实验测量结果进一步用于确定每个研究混合物的过量摩尔体积,粘度偏差,折射率偏差和过量等熵压缩率。这些计算数据使用经验Redlich-Kister方程进行关联。两种分析体系的过量摩尔体积和等熵压缩率均为正值,而粘度和折射率偏差值均为负值。考虑混合物中不同分子的结构和特定特征以及确定的非理想行为,可以深入了解混合物中可能的相互作用类型,间隙调节和结构效应。
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引用次数: 2
Liquid transfer properties of textile fabrics as a function of moisture content 纺织品的液体转移性能与含水量的关系
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-05-01 DOI: 10.2298/hemind190925008n
M. Novakovic, Jovana Z Milanovic, D. Grujić, S. Stanković
Liquid transport in textile fabrics determines thermal comfort during high physical activity of a person when liquid perspiration is produced and needs to be transferred away from the skin to keep the thermal balance. In this investigation, an attempt was made to get some indications of how the combination of the fabric composition, geometry and dimensional stability, and the moisture content influences liquid transfer properties of plain weft knitted fabrics. Therefore, the knitted fabrics made from pure hydrophilic (hemp fibres), pure hydrophobic (acrylic fibres) and a hydrophilic/hydrophobic (hemp/acrylic) fibre blend underwent a trial wear and care period. TheMaldenMills water distribution test was performed for the knitted fabrics with different moisture contents (0-30 %) in order to evaluate the effect on liquid transfer properties. Water transfer ability and water holding capacity of the knitted fabrics were also determined after undergoing the wear trial test. The obtained results were analysed with respect to macro and micro scales of porosity of knitted fabrics. It has been shown that the geometric configuration of the complex porous network in knitted fabrics influenced their liquid transfer properties in the whole moisture content range regardless of the composition. Despite the reconfiguration of the pore system in the knits during the trial period, their liquid transfer properties were still dependent on the pore size and distribution.
织物中的液体传输决定了人体在高体力活动时的热舒适性,此时会产生液体汗液并需要从皮肤中转移出去以保持热平衡。在本研究中,试图得到织物的组成,几何和尺寸稳定性,以及水分含量的组合如何影响平纹纬针织物的液体传递性能的一些迹象。因此,由纯亲水性(大麻纤维)、纯疏水性(丙烯酸纤维)和亲水性/疏水性(大麻/丙烯酸)纤维混纺制成的针织物经过了一段试验磨损和护理期。对不同含水率(0 ~ 30%)的针织物进行了TheMaldenMills水分分配试验,以评价其对织物液体传递性能的影响。通过耐磨性试验,测定了针织物的转水性和持水性。对所得结果进行了宏观和微观尺度的针织物孔隙度分析。研究表明,针织物中复杂孔隙网络的几何形态影响着针织物在整个含水率范围内的液体传递性能。尽管在试验期间,织物的孔隙系统发生了重构,但其液体传递性能仍然依赖于孔隙大小和分布。
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引用次数: 4
Synthesis and characterization of poly(N-isopropylmethacrylamide-co-N-isopropylacrylamide) copolymers 聚n -异丙基甲基丙烯酰胺-co- n -异丙基丙烯酰胺共聚物的合成与表征
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-05-01 DOI: 10.2298/hemind190717007u
M. Urošević, Ljubiša Nikolić, S. Ilić-Stojanović, Aleksandar Zdravković, V. Nikolić
Copolymeric hydrogels of poly(N-isopropylmethacrylamide-co-N-isopropylacrylamide), p(NIPMAM/NIPAM), are synthesized by radical polymerization of N-isopropylmethacryl­amide (NIPMAM) and N-isopropylacrylamide (NIPAM) monomers by using the cross-linker ethylen glycol dimethacrylate (EGDM). The synthesized copolymeric p(NIPMAM/NIPAM) hydrogels, starting monomers and the cross-linker were structurally characterized by using Fourier transform infrared spectroscopy (FTIR). The amounts of residual reactants in the synthesized hydrogels were determined by high-pressure liquid chromatography (HPLC). Swelling of p(NIPMAM/NIPAM) hydrogels was investigated in relation to the temperature and pH value of the solution. The obtained values of residual monomer quantities are within acceptable limits and in the range from 2.69 to 5.25 mg g -1 for NIPMAM and 14.55 to 30.80 mg g -1 for NIPAM. The synthesized p(NIPMAM/NIPAM) hydrogels are negatively thermosensitive. The most common mechanisms of transport of a swelling solution in p(NIPMAM/NIPAM) hydrogels are polymer chain relaxation, (Case III), and the anomalous type of diffusion (non-Fickian diffusion). The maximal equilibrium swelling degree of 51.19 was reached by the p(NIPMAM/NIPAM) hydrogel with 1.5 mol% of EGDM at the temperature of 25 o C and pH 4, whereas the lowest one of 0.98 was exhibited by the hydrogel with 3 mol% of EGDM at the temperature of 80 o C and pH 7. Due to their low content of residual reactants and a satisfactory degree of swelling at various pH values, synthesized p(NIPMAM/NIPAM) hydrogels can be applied as carriers for the controlled release of pharmaceutically active substances.
以交联剂二甲丙烯酸乙二醇酯(EGDM)为原料,将n -异丙基甲基丙烯酰胺(NIPMAM)与n -异丙基丙烯酰胺(NIPAM)单体自由基聚合,合成了聚(n -异丙基甲基丙烯酰胺-co- n -异丙基丙烯酰胺)共聚水凝胶p(NIPMAM/NIPAM)。利用傅里叶红外光谱(FTIR)对合成的共聚物p(NIPAM /NIPAM)水凝胶、起始单体和交联剂进行了结构表征。采用高压液相色谱法测定合成水凝胶中残留反应物的含量。研究了p(NIPAM /NIPAM)水凝胶的溶胀与溶液温度和pH值的关系。所得的残留单体量值在可接受的范围内,NIPAM的范围为2.69至5.25 mg g -1, NIPAM的范围为14.55至30.80 mg g -1。合成的p(NIPAM /NIPAM)水凝胶具有负热敏性。p(NIPAM /NIPAM)水凝胶中溶胀溶液最常见的输运机制是聚合物链弛豫(案例III)和异常扩散(非菲克扩散)。当温度为25℃,pH为4时,加入1.5 mol% EGDM的p(NIPAM /NIPAM)水凝胶的平衡溶胀度最大,为51.19;当温度为80℃,pH为7时,加入3 mol% EGDM的水凝胶的平衡溶胀度最小,为0.98。合成的p(NIPAM /NIPAM)水凝胶由于其残留反应物含量低,在各种pH值下都有令人满意的溶胀程度,可以作为药物活性物质控释的载体。
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引用次数: 3
Preparation and properties of hydrogen peroxide oxidized starch for industrial use 工业用过氧化氢氧化淀粉的制备及性能
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-03-02 DOI: 10.2298/hemind190722004k
N. Karic, Jelena D. Rusmirović, Maja Djolic, T. Kovačević, L. Pecić, Ž. Radovanović, A. Marinković
Oxidized starch, an additive used in paper manufacturing and products for construction industry, is usually produced using harmful oxidant, such as hypochlorites or periodates. In this study, a simple and efficient eco-friendly laboratory and industrial procedures for starch oxidation were developed. The procedure involves application of small amounts of more environmentally friendly oxidant, hydrogen peroxide, a novel special metal complex catalyst such as copper(II) citrate and copper(II) ricinoleate and biobased plasticizers. Optimization procedure, with respect to the quantity of hydrogen peroxide and temperature in the presence of iron(II) sulphate catalyst, was performed by using the response surface methodology. Comparative analysis of the use of the other catalysts that is copper(II) sulphate, copper(II) citrate and copper(II) ricinoleate, indicated copper(II) citrate as the catalyst of choice. Improvement of starch is achieved using three plasticizers: ricinoleic acid (RA), diisopropyl tartarate, as well as epoxidized soybean, linseed and sunflower oils. The effects of hydrogen peroxide and catalyst concentrations, as well as the reaction temperature in the presence of naturally based plasticizers on the physicochemical, thermal and morphological properties of oxidized starch are presented. According to the results obtained in initial experiments, the optimal industrial process is based on the use of copper(II) citrate (0.1 %) as a catalyst and RA (3 %) as a plasticizer.
氧化淀粉是一种用于造纸和建筑业产品的添加剂,通常使用有害的氧化剂生产,如次氯酸盐或高碘酸盐。在本研究中,开发了一种简单高效的淀粉氧化环保实验室和工业程序。该程序包括应用少量更环保的氧化剂过氧化氢、一种新型的特殊金属络合物催化剂,如柠檬酸铜(II)和蓖麻油酸铜(Ⅱ)以及生物基增塑剂。在硫酸铁(II)催化剂存在的情况下,关于过氧化氢的量和温度的优化程序通过使用响应面方法进行。对硫酸铜(II)、柠檬酸铜(II。淀粉的改良使用三种增塑剂:蓖麻油酸(RA)、酒石酸二异丙酯以及环氧化大豆油、亚麻籽和葵花籽油。介绍了过氧化氢和催化剂浓度,以及在天然增塑剂存在下的反应温度对氧化淀粉的物理化学、热学和形态性质的影响。根据初始实验中获得的结果,最佳工业工艺是基于使用柠檬酸铜(II)(0.1%)作为催化剂和RA(3%)作为增塑剂。
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引用次数: 5
Application of solvent retention capacity tests for prediction of rheological parameters of wheat flour mill streams 溶剂保留能力试验在小麦粉流流变参数预测中的应用
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-03-02 DOI: 10.2298/hemind190625001v
Milan Vukic, Janic Hajnal Elizabet, S. Mastilovic, P. D. Vujadinovic, M. Ivanovic, M. D. Soronja-Simovic
This paper presents relationship between the rheological properties of dough and individual polymer swelling properties in wheat flour mill streams. The swelling properties were measured by applying the Solvent Retention Capacities (SRC) tests. Significant correlation coefficients were determined for certain rheological parameters. In an effort to extract additional insights from the properties measured, a multivariate analysis was used to develop relationships between the studied parameters. To determine relevant relationships among the parameters, the data exploration step by the Principal Component Analysis was performed. Then, multivariate Partial Least Squares Regression (PLSR) models were developed, to predict certain empirical rheology parameters based on the SRC parameters. The processing of experimental data indicated the possibility of using SRC parameters for predicting rheological properties in conjunction with a suitable mathematical model. The presented approach may be useful for rapid prediction of wheat flour mill streams characteristics and for optimization of the end-flour performances.
本文介绍了面粉厂流水中面团流变特性与单体聚合物溶胀特性之间的关系。采用溶剂保留量(SRC)试验测定其溶胀性能。某些流变参数确定了显著的相关系数。为了从测量的属性中提取更多的见解,我们使用了多变量分析来开发所研究参数之间的关系。为了确定参数之间的相关关系,进行了主成分分析的数据探索步骤。然后,建立多元偏最小二乘回归(PLSR)模型,基于SRC参数预测某些经验流变参数。实验数据的处理表明,结合合适的数学模型,使用SRC参数预测流变特性是可能的。该方法可用于快速预测小麦粉磨流特性和优化终粉性能。
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引用次数: 2
Analysis of the main parameters of crude oil pipeline transport 原油管道输送主要参数分析
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-01-01 DOI: 10.2298/hemind190906010t
J. Tolmač, S. Prvulović, M. Nedić, D. Tolmač
The paper presents results of experimental research and simulation of the main parameters of crude oil pipeline transport. In Serbia, 70 % of the produced oil belongs to a paraffin type, of which over 25 % has a high content of paraffin. High-content paraffin oil usually has a high pour point. The paraffin content in crude oil from Vojvodina, Serbia, is in the range 7.5 to 26 %, and the oil pour temperature varies from 18 to 36?C. The imported crude oil has a flow point max. 8?C. Homogenization, i.e. mixing of domestic and imported crude oil, improves the transport properties and decreases the pour point. After homogenization, the crude oil is pre-heated, and then transported by a pipeline to the refinery for further processing. Heating induces modification of crude oil physical properties, especially flow properties so to prevent wax formation within the oil pipeline. The aim of this paper was to determine operating parameters and flow characteristics for a particular oil pipeline (428 mm inner diameter, 91,000 m length) under real operating conditions. By heating in the range of 20 - 50?C, the viscosity of crude oil was reduced, approaching the viscosity of water. The pipeline is isolated (100 mm thick isolation) and buried into in the ground (1 m depth). It is found that the heat transfer coefficient has a dominant influence on the cooling rate of the oil in the pipeline. The heat transfer coefficient is mainly determined by the isolation thickness so that it was determined as 0.60 W m-2 K-1 for + 100 mm thickness, while it was 2.20 W m-2 K-1 for the non-isolated pipeline. Heat losses through the main pipeline ranged from 36 - 110 kJ m-1 h-1 (10 - 30 W m-1). The difference between the starting and the ending temperature of crude oil ranged from 10 to 12?C. Such a decrease of ?t = 10 oC and, consequently, the increase in viscosity induced a noti-ceable increase in the pressure drop and pump power by 3 to 4 %, at the maximum flowrate of 0.194 m3 s-1 (700 m3 h-1). The cooling rate during transportation under stationary thermal and hydraulic conditions is in the range 0.52 ? 0.5 oC h-1. In the case of domestic oil (Vojvodina, Serbia) transport, the downtime should not exceed 24 h, since stopping and cooling of the oil would result in formation of solid paraffin particles followed by oil gelation.
本文介绍了原油管道输送主要参数的实验研究和仿真结果。在塞尔维亚,70%的采出油属于石蜡型,其中超过25%的石蜡含量高。高含量石蜡油通常具有高的倾点。塞尔维亚伏伊伏丁那原油中石蜡含量在7.5% ~ 26%之间,原油浇注温度在18 ~ 36℃之间。进口原油有一个流量上限。8 ? C。均质化,即国产原油和进口原油的混合,改善了输送性能,降低了倾点。均质后,对原油进行预热,然后通过管道输送到炼油厂进行进一步加工。加热会改变原油的物理性质,特别是流动性质,从而防止石油管道内形成蜡。本文的目的是确定在实际操作条件下特定石油管道(内径428 mm,长度91,000 m)的操作参数和流动特性。在20 - 50度范围内加热?C,原油的粘度降低,接近水的粘度。管道隔离(100mm厚隔离),埋入地下(1m深)。研究发现,换热系数对管道中油品的冷却速率有主导影响。换热系数主要由隔振厚度决定,故确定+ 100 mm厚度管道换热系数为0.60 W m-2 K-1,非隔振管道换热系数为2.20 W m-2 K-1。通过主管道的热损失范围为36 - 110 kJ m-1 h-1 (10 - 30 W m-1)。原油的起始温度和结束温度之差在10 ~ 12℃之间。当最大流量为0.194 m3 s-1 (700 m3 h-1)时,t = 10℃的降低和粘度的增加导致压降和泵功率明显增加3 - 4%。在固定的热和水力条件下,运输过程中的冷却速率在0.52 ?0.5℃h-1。在国内石油(塞尔维亚伏伊伏丁那)运输的情况下,停机时间不应超过24小时,因为停止和冷却石油将导致固体石蜡颗粒的形成,然后是石油凝胶化。
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引用次数: 0
Robustness analysis of technological units for drinking water clarification: Normal and emergency operating conditions 饮用水澄清工艺装置的稳健性分析:正常和紧急运行条件
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-01-01 DOI: 10.2298/hemind190909009z
S. Zorić, M. Bečelić-Tomin, B. Dalmacija
The primary goal of a water supply system is the protection of human health by providing microbiologically and chemically safe drinking water. Significant changes in water quality require sufficiently robust systems for water preparation, performances of which are unaffected by present variations and changing operational conditions. Water turbidity is an important parameter for the water filtration control and efficiency of disinfection. The efficiency of turbidity removal in the drinking water treatment plant ?Vodovod? in Banjaluka under normal and emergency operating conditions was examined in this paper. At normal conditions the maximal detected value was 25 NTU while at emergency operating conditions it was above 240 NTU. Robustness evaluation of the water clarification system was performed separately for periods of normal and emergency operating conditions (during and after emptying the accumulation). The robustness index was calculated based on a more stringent target turbidity value (0.5 NTU) than that specified by the current legislation, which represents a new criterion in the risk analysis in the existing practice. Data processing results indicate high operational stability of technological units under normal conditions. The filtered water quality was below the target value during most of the time of filter operation in all cycles. The recorded turbidity value was ? 0.3 NTU for 92.9 % of filtered water samples. Analysis of the water turbidity data has shown that 17% of all taken measurements under emergency operating conditions (336 samples) had higher turbidity than the target value (0.5 NTU). Large variations in raw water turbidity over short periods of times during the emergency operating conditions, present a problem for prompt response in the drinking water plant. Calculated robustness index values point to inadequate efficiency of the water clarification process in a certain number of filter operating cycles. We have found a significant impact of the plant operating conditions on the filtered water turbidity under emergency conditions, such as suboptimal coagulation and flocculation conditions as well as the nature of suspended and colloid particles inducing turbidity and insufficient particle interactions with the coagulant. Along with the negative influence on water turbidity, excessive coagulant dosage leads to increased concentrations of residual aluminum in filtered water. Optimization of emergency working conditions could be performed based on adequate monitoring of water sources, which would further decrease potential risks of pathogen appearance in drinking water.
供水系统的主要目标是通过提供微生物和化学安全的饮用水来保护人类健康。水质的重大变化需要足够强大的水制备系统,其性能不受当前变化和不断变化的操作条件的影响。水浊度是影响水过滤控制和消毒效率的重要参数。饮用水处理厂的除浊效率?本文对Banjaluka在正常和紧急工况下的运行情况进行了研究。在正常条件下,最大检测值为25 NTU,而在紧急运行条件下,它超过240 NTU。对水澄清系统的稳健性评估分别在正常和紧急操作条件期间(排空堆积期间和之后)进行。鲁棒性指数是根据比现行立法规定的更严格的目标浊度值(0.5 NTU)计算的,这代表了现有实践中风险分析的新标准。数据处理结果表明,工艺装置在正常工况下具有较高的运行稳定性。在所有循环中,过滤后的水质在大部分时间内都低于目标值。记录的浊度值为?92.9%的过滤水样为0.3 NTU。对水浊度数据的分析表明,在紧急运行条件下进行的所有测量中,有17%(336个样本)的浊度高于目标值(0.5 NTU)。在紧急运行条件下,在短时间内原水浑浊度变化很大,给饮用水厂的快速反应带来了问题。计算出的稳健性指数值表明,在一定数量的过滤器运行循环中,水澄清过程的效率不足。我们发现,在紧急情况下,工厂运行条件对过滤水浊度有重大影响,例如不理想的混凝和絮凝条件,以及引起浊度的悬浮和胶体颗粒的性质,以及颗粒与混凝剂的相互作用不足。混凝剂投加量过大不仅会对水的浊度产生负面影响,还会导致过滤水中残铝浓度升高。在充分监测水源的基础上,优化应急工况,进一步降低饮用水中出现病原体的潜在风险。
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引用次数: 0
Contents of Vol 74 第74卷目录
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-01-01 DOI: 10.5004/dwt.2017.20953
A. Dekanski
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引用次数: 0
Antifungal screening and molecular docking simulation of silica supported synthesized sitosteryl hydrogen phthalate using microwave irradiation 微波辐射二氧化硅负载合成邻苯二甲酸氢谷甾醇酯的抑菌筛选及分子对接模拟
IF 0.9 4区 工程技术 Q4 ENGINEERING, CHEMICAL Pub Date : 2020-01-01 DOI: 10.2298/HEMIND200709028K
Azhar U. Khan, Sunil K. Sharma, A. Gehlot, Mona Gupta, Mahboob Alam
In this study, steroidal sitosteryl hydrogen phthalate (stigmast-5-en- 3 b -yl hydrogen phthalate) was synthesized by the reaction of 3b-sitosterol and phthalic anhydride using silica gel as a solid support under microwave irradiation (MWI). The comparative study of microwave assisted synthesis and conventional synthesis of the steroidal compound in a hazardous solvent revealed that the former method provided shortened reaction times at increased yields. The compounds obtained by the two procedures were characterized by infrared spectroscopy, proton, carbon-13 nuclear magnetic resonance ( 1 H and 13 C NMR) and high-resolution mass spectrometry. The synthesized compound was screened for in vitro antifungal activity against Aspergillus niger and Candida albicans by the Kirby-Bauer Well Diffusion method. The synthesized compound was subjected to the molecular docking simulation with a receptor (CYP51). The findings of the antifungal and docking studies revealed that the synthesized sitosteryl hydrogen phthalate could be considered as a suitable inhibitor of Lanosterol 14a-demethylase (CYP51). In addition, the molecular docking approach was applied to design hypothetical derivatives of sitosteryl hydrogen phthalate inhibitors against the antifungal target and to compare findings with the binding score of the molecular synthesized 3b-sitosteryl hydrogen phthalate.
本研究在微波照射下,以硅胶为固体载体,以3b-谷甾醇和邻苯二甲酸乙酯为原料,合成了甾体型邻苯二甲酸谷甾醇酯(5-烯- 3 - b-基邻苯二甲酸氢酯)。微波辅助合成与常规方法在危险溶剂中合成甾体化合物的比较研究表明,微波辅助合成缩短了反应时间,提高了收率。通过红外光谱、质子、碳-13核磁共振(1h和13c NMR)和高分辨率质谱对两种方法合成的化合物进行了表征。采用Kirby-Bauer孔扩散法对合成的化合物进行了体外抗黑曲霉和白色念珠菌活性的筛选。将合成的化合物与受体CYP51进行分子对接模拟。抗真菌和对接研究结果表明,合成的邻苯二甲酸谷甾醇氢酯可被认为是一种合适的羊毛甾醇14a-去甲基化酶(CYP51)抑制剂。此外,应用分子对接方法设计了针对抗真菌靶点的邻苯二甲酸谷甾醇酯抑制剂的假设衍生物,并将结果与合成的分子3b-邻苯二甲酸谷甾醇酯的结合评分进行比较。
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引用次数: 1
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Hemijska Industrija
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