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Dimethyl sulfoxide as a strongly coordinating solvent: 3′,4′-dihydroxyflavone-Cu(II)-DMSO system case study 二甲基亚砜作为强配位溶剂:3 ',4 ' -二羟黄酮- cu (II)-DMSO体系的案例研究
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-10-01 DOI: 10.2478/acs-2020-0022
Miriama Šimunková, Michal Malček
Abstract Dimethyl sulfoxide (DMSO) is an aprotic organic solvent widely used in laboratory practice due to its ability to dissolve both polar and nonpolar compounds. However, DMSO is also commonly known as a strongly coordinating solvent, especially towards transition metal containing complexes. In this study, estimation of the coordination ability of DMSO towards the Cu(II) ion was attempted, employing a model system composed of 3′,4′-dihydroxyflavone-Cu(II) complex in the presence of explicit DMSO molecules, using the density functional theory (DFT). Nature of the Cu-DMSO chemical interaction (i.e. Cu-O bonding) was studied within the framework of quantum theory of atoms in molecules (QTAIM). Impact of DMSO coordination on the charge and spin distribution at Cu(II) ion was inspected using Mulliken population and QTAIM analysis.
摘要:二甲基亚砜(DMSO)是一种非质子有机溶剂,由于其溶解极性和非极性化合物的能力而广泛应用于实验室实践。然而,DMSO通常也被认为是一种强配位溶剂,特别是对含过渡金属的配合物。在本研究中,采用密度泛函理论(DFT),利用DMSO外显分子存在下的3 ',4 ' -二羟黄酮-Cu(II)配合物组成的模型体系,尝试估计DMSO对Cu(II)离子的配位能力。在分子原子量子理论(QTAIM)的框架内研究了Cu-DMSO化学相互作用(即Cu-O键)的性质。采用Mulliken居群和QTAIM分析考察了DMSO配位对Cu(II)离子电荷和自旋分布的影响。
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引用次数: 3
Determination of biological markers of organic substances in sediment and soil samples by gas chromatography 气相色谱法测定沉积物和土壤样品中有机物的生物标志物
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0006
Nemanja Koljančić, O. Vyviurska, Milica Balaban, I. Špánik
Abstract Once they reach the environment, petroleum hydrocarbons undergo various chemical, physico-chemical and biochemical transformation processes. Organic compounds which are not or are very poorly subject to these processes are thermodynamically the most stable isomers and they are called biological markers (biomarkers). This paper presents the results of the determination of organic substances in twelve samples taken in the area of the city of Banja Luka (Bosnia and Herzegovina). Two soil samples were taken in the Banja Luka city heating plant area and ten river sediment and soil samples were taken in the upper and lower basin of the Vrbas river in the Banja Luka city area. The aim of this study was to determine the biomarkers of oil-type pollutants in contaminated samples as well as the type of organic substances in samples taken near the contaminated area. Assisted solvent extraction was used to isolate the total petroleum hydrocarbons (TPH) from all twelve samples. Fractionation of the extracts into saturated and aromatic hydrocarbon fractions was performed by column chromatography. The fractions were analyzed by gas chromatography-mass spectrometry (GC-MS). On basis of the obtained chromatograms, biomarkers of petroleum pollutants and specific correlation parameters of organic substances in the samples were determined. The dominance of n-alkanes with odd C atoms as well as the presence of an unresolved complex mixture (UCM) on chromatograms of saturated and aromatic hydrocarbons showed the presence of anthropogenic organic substances of petroleum origin in the analyzed samples. Based on the obtained chromatograms, it can be concluded that microbial degradation of hydrocarbons in all samples occurred.
摘要石油碳氢化合物一旦进入环境,就会经历各种化学、物理化学和生物化学转化过程。没有或很少受到这些过程影响的有机化合物在热力学上是最稳定的异构体,它们被称为生物标记物。本文介绍了在巴尼亚卢卡市(波斯尼亚和黑塞哥维那)地区采集的12个样品中有机物质的测定结果。在Banja-Luka城市供暖厂区域采集了两个土壤样本,在Banja-Ruka城市区域的Vrbas河上游和下游流域采集了十个河流沉积物和土壤样本。本研究的目的是确定污染样本中石油类污染物的生物标志物以及在污染区域附近采集的样本中有机物质的类型。使用辅助溶剂萃取从所有12个样品中分离总石油烃(TPH)。通过柱色谱法将提取物分馏成饱和烃和芳烃馏分。通过气相色谱-质谱(GC-MS)对组分进行分析。根据获得的色谱图,确定了石油污染物的生物标志物和样品中有机物的特定相关参数。在饱和烃和芳烃的色谱图上,具有奇数C原子的正构烷烃占主导地位,以及未解决的复杂混合物(UCM)的存在,表明分析样品中存在石油来源的人为有机物质。根据获得的色谱图,可以得出结论,所有样品中的碳氢化合物都发生了微生物降解。
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引用次数: 0
Absorption removal of hydrogen sulfide from recirculated biogas 从循环沼气中吸收去除硫化氢
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0003
Nikolas Gróf, J. Barbušová, Kristína Hencelová, M. Hutňan
Abstract This study is focused on the effect of biogas recirculation with hydrogen sulfide removal on anaerobic treatment of sulfur-enriched synthetic wastewater in a UASB reactor. The presence of hydrogen sulfide in biogas causes problems in its further energy recovery while sulfides inhibit the anaerobic process. The reactor was gradually loaded with sulfates and their effect on the reactor operation was monitored. At the same time, external absorption of hydrogen sulfide from biogas with absorbent regeneration was operated. The results show that low concentrations of added sulfates support biogas production. At the sulfate concentration of 125 mg l−1, biogas production increased by approximately 2 l d−1. However, further increasing of the amount of sulfates in the substrate led to the opposite effect. At twice the amount of sulfates, the biogas production decrease by 1 l d−1 and its adverse effects on the removal of N-NH4, NC and P-PO4 were observed. Biogas recirculation through the absorption column ensured a decrease in the hydrogen sulfide concentration from 19 960 ppm to 4 030 ppm and an increase in the methane content from 59.2 % to 83 % and also a decrease in the sulfides concentration in the reactor. From the measured data it can be concluded that this method reduces sulfides inhibition.
摘要本研究的重点是在UASB反应器中,沼气再循环和硫化氢去除对含硫合成废水厌氧处理的影响。沼气中硫化氢的存在会导致其进一步的能量回收出现问题,而硫化物会抑制厌氧过程。反应器逐渐装载硫酸盐,并监测它们对反应器操作的影响。同时,采用吸收剂再生法对外吸收沼气中的硫化氢进行了操作。结果表明,低浓度的添加硫酸盐支持沼气生产。硫酸盐浓度为125 mg l−1时,沼气产量增加了约2 l d−1。然而,底物中硫酸盐含量的进一步增加导致了相反的效果。在硫酸盐用量为两倍的情况下,沼气产量下降了1 l d−1,并观察到其对去除N-NH4、NC和P-PO4的不利影响。通过吸收柱的生物气体再循环确保了硫化氢浓度从19 960 ppm降低到4 030 ppm,甲烷含量从59.2%增加到83%,以及反应器中硫化物浓度的降低。从测量数据可以得出结论,该方法降低了硫化物的抑制作用。
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引用次数: 1
Antibiotic resistant bacteria in surface waters in Slovakia 斯洛伐克地表水中的抗生素耐药性细菌
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0010
Andrea Štefunková, Klára Cverenkárová, Monika Krahulcová, T. Mackuľak, L. Bírošová
Abstract This work deals with the occurrence of selected antibiotic resistant bacteria in Slovak surface waters. Total and antibiotic resistant coliform bacteria, enterococci and coagulase positive staphylococci were determined in 34 samples of surface water from rivers and still waters (dams, natural lakes, thermal bath) some of them used for recreational swimming. Sampling was performed during summer season 2017 (July and August). The number of total coliforms ranged from 1.74 log CFU/10 mL to 3.69 log CFU/10 mL. Coliform bacteria were registered in each tested sample. The highest number was observed in the sample from river Hron. Majority of samples contained ampicillin and tetracycline resistant bacteria. Enterococci were determined in 70 % of samples ranging from 0.78 log CFU/10 mL to 3.81 log CFU/10 mL. The highest number of enterococci was observed in river Váh. Ampicillin and vancomycin resistance prevailed over ciprofloxacin and gentamicin resistance. Coagulase positive staphylococci were present in 91 % of samples in the range of 0.70—3.03 log CFU/10 mL. Antibiotic resistant coagulase positive staphylococci were observed only in 32 % of samples, predominantly from rivers. In these samples, chloramphenicol resistance predominated. In three samples of water used for recreational purposes, the limit value for enterococci and E. coli according to Slovak legislation (Decree no. 308/2012 Coll.) for the quality of water in natural swimming pools during bathing season was exceeded.
摘要这项工作涉及选定的抗生素耐药性细菌在斯洛伐克地表水中的发生。在34份来自河流和静水(水坝、天然湖泊、热水浴池)的地表水中检测了总大肠菌群、耐抗生素大肠杆菌、肠球菌和凝固酶阳性葡萄球菌,其中一些用于休闲游泳。采样时间为2017年夏季(7月和8月)。总大肠菌群的数量范围为1.74 log CFU/10 mL至3.69 log CFU/10mL。每个测试样本中都登记了大肠杆菌。在Hron河的样本中观察到的数字最高。大多数样品含有氨苄青霉素和四环素耐药性细菌。70%的样本中检测到肠球菌,范围从0.78 log CFU/10 mL到3.81 log CFU/10mL。在Váh河中观察到最高数量的肠球菌。对氨苄西林和万古霉素的耐药性高于对环丙沙星和庆大霉素的耐药性。凝固酶阳性葡萄球菌存在于91%的样本中,范围为0.70-3.03 log CFU/10 mL。仅在32%的样本中观察到抗抗生素凝固酶阴性葡萄球菌,主要来自河流。在这些样品中,氯霉素耐药性占主导地位。在三个用于娱乐目的的水样本中,超过了斯洛伐克立法(第308/2012 Coll.号法令)规定的天然游泳池在沐浴季节水质的肠球菌和大肠杆菌限值。
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引用次数: 4
Sample matrix influence on microdrop hold-up in single drop microextraction 样品基质对单滴微萃取中微滴率的影响
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0004
N. Kubasová, S. Zichová, Adriána Brisudová, S. Hrouzková
Abstract Single drop microextraction has become a widespread liquid/liquid microextraction technique owing to its simplicity, high preconcentration factor and low consumption of organic solvents in the extraction due to direct introduction of the very low volume of extract into the analytical system. Crucial features ensuring excellent repeatability of single drop microextraction include: solvent volume, solvent type, sample agitation, salts addition, and pH. The influence of sample quality on the microdrop volume and agitation type was studied. Effect of the sample matrix, such as water, acid content samples (orange juice), sample containing alcohol (plum brandy) and protein content sample (milk), on the microdrop hold-up was also investigated. For water analysis, several organic solvents such as chloroform, dichloromethane, tetrachloromethane, tetrachloroethane and chlorobenzene were tested; last three mentioned were suitable for SDME experiments. For milk samples analysis, chlorobenzene microdrop was found to be optimal; advantage of salt addition has been reported. For orange samples, 1:10 dilution was suggested with stable microdrop volumes (toluene) of up to 6 µL for lower stirring rates (100 rpm and 250 rpm). For alcohol-content samples, the change of alcohol percentage of real-life samples had to be considered. A strong influence of the matrix quality on the microdrop stability has been proven.
摘要单滴微萃取由于其简单、高预浓缩因子和低有机溶剂消耗,已成为一种广泛应用的液/液微萃取技术,这是由于将极低体积的提取物直接引入分析系统。确保单滴微萃取具有良好重复性的关键特征包括:溶剂体积、溶剂类型、样品搅拌、盐添加和pH。研究了样品质量对微滴体积和搅拌类型的影响。还研究了样品基质,如水、酸含量样品(橙汁)、含酒精样品(李子白兰地)和蛋白质含量样品(牛奶)对微滴保持的影响。对于水分析,测试了几种有机溶剂,如氯仿、二氯甲烷、四氯甲烷、四氯乙烷和氯苯;后三种方法适用于SDME实验。对于牛奶样品的分析,发现氯苯微滴是最佳的;已经报道了添加盐的优点。对于橙色样品,建议使用1:10稀释,在较低的搅拌速率(100 rpm和250 rpm)下,稳定的微滴体积(甲苯)高达6µL。对于酒精含量的样本,必须考虑真实样本中酒精百分比的变化。基质质量对微滴稳定性的强烈影响已经得到证实。
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引用次数: 0
Influence of trans-polyoctylene rubber content on styrene-butadiene rubber properties 反式聚辛基橡胶含量对丁苯橡胶性能的影响
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0001
Patrik Macúrik, R. Anyszka, I. Hudeč, Terézia Malčeková, J. Kruželák
Abstract The study was focused on the investigation of trans-polyoctylene (TOR) influence on cross-linking as well as mechanical and rheological properties of rubber compounds based on styrene-butadiene rubber (SBR). SBR was compounded with different proportions of TOR in the concentration range from 0 to 30 phr. Integration of TOR into rubber leads to the prolongation of the optimum curing time and scorch time and thus the decrease of the curing rate. Higher content of TOR led to less viscous rubber due to the plasticizing effect. Cross-link density of vulcanizates was reduced, which correlates with higher elongation at break. Tensile strength and hardness of vulcanizates increased with the increasing TOR content, probably due to the increasing amount of the crystalline phase.
摘要研究了反式聚辛烯(TOR)对基于丁苯橡胶(SBR)的橡胶化合物交联以及力学和流变性能的影响。SBR与不同比例的TOR在0至30phr的浓度范围内复合。TOR与橡胶的结合延长了最佳硫化时间和焦烧时间,从而降低了硫化速率。TOR含量越高,由于增塑作用,橡胶的粘性越小。硫化胶的交联密度降低,这与较高的断裂伸长率有关。硫化胶的拉伸强度和硬度随着TOR含量的增加而增加,这可能是由于晶相含量的增加。
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引用次数: 1
Low-temperature plasma applications in chemical fungicide treatment reduction 低温等离子体在化学杀菌剂处理还原中的应用
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0005
Lucia Hoppanová, V. Medvecká, Juliana Dylíková, D. Hudecová, B. Kaliňáková, S. Kryštofová, A. Zahoranová
Abstract In order to reduce the environmental burden of chemicals, various new alternatives to seed protection are being sought. Our aim was to find an environmentally acceptable solution leading to the inactivation of seed-borne phytopathogenic fungi Fusarium culmorum on the surface of wheat and barley seeds with a positive effect on their germination. As a low-temperature plasma (LTP) source, a Diffuse Coplanar Surface Barrier Discharge (DCSBD) was used. Plasma generated by DCSBD is non-equilibrium, cold, diffuse, macroscopically homogeneous even in ambient air at atmospheric pressure. Experimental results showed that LTP treatment in the range of 120—300 s significantly inhibits the growth of F. culmorum on the surface of the seeds. The efficiency of LTP treatment was compared with traditional seed protection processes using chemical fungicide and also with combined seed pretreatment by plasma and subsequent application of chemical fungicide. No growth of F. culmorum was observed after the combination of Vitavax 2000 fungicide application in the dose of 10 % and 60 s of LTP treatment even on the 5th day of incubation. Better wettability of seeds with the chemical fungicide was related to the change on seed surface, which becomes hydrophilic after 10 s of LTP application. Short LTP exposure times did not affect germination and improved the growth parameter of cereal seeds. By combining physical (LTP) and chemical (Vitavax 2000) treatments of cereal seeds, it is possible to effectively reduce the required amount of chemical fungicide and to stimulate germination and early growth seed parameters.
为了减轻化学品对环境的负担,人们正在寻求各种新的种子保护方法。我们的目标是找到一种环境可接受的解决方案,导致小麦和大麦种子表面的植物病原真菌镰刀菌失活,并对其萌发产生积极影响。低温等离子体(LTP)源采用漫射共面表面阻挡放电(DCSBD)。DCSBD产生的等离子体是非平衡的、冷的、扩散的、宏观上均匀的,即使在大气压下的环境空气中也是如此。实验结果表明,LTP处理120 ~ 300 s可显著抑制种子表面镰刀菌的生长。将LTP处理与传统的化学杀菌剂种子保护工艺以及等离子体预处理和化学杀菌剂联合处理的效果进行了比较。以10%的剂量和60 s的LTP处理组合使用Vitavax 2000杀菌剂后,即使在孵育第5天也未观察到镰刀菌的生长。化学杀菌剂对种子较好的润湿性与种子表面的变化有关,施用LTP 10 s后,种子表面变得亲水。较短的LTP暴露时间不影响萌发,并改善了谷物种子的生长参数。通过将谷物种子的物理(LTP)和化学(Vitavax 2000)处理相结合,可以有效地减少化学杀菌剂的需用量,并促进种子萌发和早期生长参数。
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引用次数: 15
Control of heat exchangers in series using neural network predictive controllers 基于神经网络预测控制器的换热器串联控制
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0007
A. Vasickaninova, M. Bakosová, A. Mészáros
Abstract The paper reveals three applications of neural network predictive control (NNPC) to a system of four heat exchangers (HEs) in series with counterflow configuration to save energy expressed by cooling water in the system of HEs cooling the distillation product. Neural networks (NNs) are used at first in conventional NNPC and subsequently, neural network predictive controllers (NNPCLs) are employed as a master controller in a cascade control, and as a feedback controller in the control system with disturbance measurement. Neural-network-predictive-control-based (NNPC-based) feedback control systems are compared with PI controller based feedback control loop. Series of simulation experiments were done and the results showed that using NNPC-based cascade control reduced cooling water consumption. This control system also significantly reduced the settling time and overshoots in the control responses and provided the best assessed integral quality criteria compared to other control systems. NNPC-based cascade control can also be interesting for industrial use. Generally, simulation results proved that NNPC-based control systems are promising means for the improvement of HEs control and achievement of energy saving.
摘要:本文介绍了神经网络预测控制(NNPC)在4台换热器串联逆流配置系统中的三种应用,以节省换热器冷却蒸馏产品系统中冷却水的能量。神经网络(Neural network, NNs)首先用于传统的NNPC中,随后,神经网络预测控制器(Neural network predictive controller, nnpcl)在串级控制中作为主控制器,在具有扰动测量的控制系统中作为反馈控制器。将基于神经网络预测控制的反馈控制系统与基于PI控制器的反馈控制回路进行了比较。进行了一系列的仿真实验,结果表明,采用基于nnpc的串级控制可以降低冷却水的消耗。与其他控制系统相比,该控制系统还显着减少了控制响应中的沉降时间和超调,并提供了最佳的评估整体质量标准。基于nnpc的串级控制在工业应用中也很有趣。总的来说,仿真结果证明了基于nnpc的控制系统是改善HEs控制和实现节能的有效手段。
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引用次数: 0
Apiin-induction of β-apiosidase production by Aspergillus sp. strains Apin诱导曲霉产生β-葡萄糖苷酶
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0011
Klaudia Karkeszová, V. Illeová, P. Kis, V. Mastihuba, M. Polakovič
Abstract β-Apiosidase is a rare glycosidase applied in winemaking for flavour enhancement. This enzyme is involved in the release of volatile terpenes by hydrolysis of their odourless glycosidic precursors. It is found as a minor component in commercial pectinase/cellulase preparations. Microbial production of β-apiosidase by two Aspergillus sp. strains was investigated. Apiin-induced production of this extracellular glycosidase was confirmed only during the cultivation of Aspergillus niger CBS 554.65 but the high productivity value reported in the work of Dupin et al. (1992) J. Agric. Food Chem. 40(10): 1886—1891 could not be reproduced. The achieved productivity was by far not satisfactory considering the apiin cost. Commercial enzyme preparations with β-apiosidase side-activity thus remain a better alternative as the enzyme source for biocatalytic applications.
摘要β-葡萄糖苷酶是一种罕见的用于酿酒增香的糖苷酶。这种酶通过水解无气味的糖苷前体来释放挥发性萜烯。它是商业果胶酶/纤维素酶制剂中的一种次要成分。研究了两株曲霉产β-葡萄糖苷酶的微生物特性。Apin诱导的这种细胞外糖苷酶的产生仅在黑曲霉CBS 554.65的培养过程中得到证实,但在Dupin等人(1992)J.Agric。食品化学。40(10):1886-1891无法复制。考虑到资本成本,所实现的生产力远不能令人满意。因此,具有β-葡萄糖苷酶副活性的商业酶制剂作为生物催化应用的酶源仍然是一种更好的选择。
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引用次数: 1
Pichia pastoris — recombinant enzyme producent for environment treatment — review 毕赤酵母环境处理用重组酶产品综述
IF 0.8 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2020-04-01 DOI: 10.2478/acs-2020-0016
Tamara Kyzeková, Vladimír Krasňan, M. Rebroš
Abstract Since environmental pollution is increasing, scientists try to find a sustainable way for its clean up and for environment protection. Due to increasing knowledge of genetics and recombinant technologies, recombinant enzymes have been increasingly applied for these purposes. This article deals with the possibilities of environmental treatment with different types of enzymes produced by P. pastoris. Environment is polluted mostly with pesticides, wastewaters, phenol compounds, plastics, toxic compounds, wastes from medical treatment, etc. All these compounds have to be eliminated considering the deteriorating biodiversity, human health, and condition of plants. Enzymes are an environmentally friendly way of such treatment.
摘要由于环境污染日益严重,科学家们试图找到一种可持续的清洁和保护环境的方法。由于对遗传学和重组技术的了解不断增加,重组酶已越来越多地应用于这些目的。本文讨论了用巴斯德毕赤酵母产生的不同类型的酶进行环境处理的可能性。环境主要受到农药、废水、酚类化合物、塑料、有毒化合物、医疗废物等的污染。考虑到生物多样性、人类健康和植物状况的恶化,必须消除所有这些化合物。酶是一种对环境友好的处理方法。
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引用次数: 1
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Acta Chimica Slovaca
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