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The Generalized Zagreb Index of Some Carbon Structures 某些碳结构的广义萨格勒布指数
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2018-07-01 DOI: 10.2478/achi-2018-0007
Prosanta Sarkar, Nilanjan De, A. Pal
Abstract In chemical graph theory, chemical structures are model edthrough a graph where atoms are considered as vertices and edges are bonds between them. In chemical sciences, topological indices are used for understanding the physicochemical properties of molecules. In this work, we study the generalized Zagreb index for three types of carbon allotrope’s theoretically.
在化学图论中,化学结构是通过一个图来建模的,其中原子被认为是顶点,边是它们之间的键。在化学科学中,拓扑指数被用来理解分子的物理化学性质。本文从理论上研究了三种碳同素异形体的广义萨格勒布指数。
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引用次数: 14
Impact of Thiocyanate on the Catecholase Activity of Cu(II) and Fe(III) Complexes of 2-((4-(2-Hydroxy-4-Methylbenzyl)Piperazin-1-YL)Methyl)-5-Methylphenol (A Mannich Base) 硫氰酸酯对2-((4-(2-羟基-4-甲基苄基)哌嗪-1- yl)甲基)-5-甲基苯酚(A Mannich碱)Cu(II)和Fe(III)配合物儿茶酚酶活性的影响
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2018-07-01 DOI: 10.2478/achi-2018-0005
A. O. Ayeni, G. M. Watkins
Abstract Four metal complexes viz Cu(II) and Fe(III) with or without thiocyanate have been synthesized from a Mannich base prepared by a simple synthetic route. These complexes were characterized by elemental and spectroscopic techniques. Bonding modes of the thiocyanate group with the metal complexes as studied by infrared spectroscopy revealed the presence of bridging N- and S- bonding modes. Detailed kinetic studies of these complexes were carried in the evaluation of their catecholase activity. The Fe(III) complex demonstrated the highest catalytic activity using 3,5-di-tert-butyl catechol (3,5-DTBC) as substrate with a turnover rate (kcat) of 112.32 h−1.
摘要以曼尼希碱为原料,用简单的合成方法合成了含或不含硫氰酸盐的Cu(II)和Fe(III)四种金属配合物。这些配合物通过元素和光谱技术进行了表征。红外光谱研究了硫氰酸酯与金属配合物的键模式,发现存在桥接的N-键和S-键模式。对这些配合物进行了详细的动力学研究,评价了它们的儿茶酚酶活性。以3,5-二叔丁基儿茶酚(3,5- dtbc)为底物的Fe(III)配合物表现出最高的催化活性,周转率(kcat)为112.32 h−1。
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引用次数: 1
Development and Validation of Spectrophotometric Methods for Simultaneous Estimation of Furosemide and Spironolactone by Vierordt’s Method in Bulk and Combined Tablet Dosage Form Vierordt法同时测定原料片和复方片剂中呋塞米和螺内酯含量的方法的建立与验证
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2018-07-01 DOI: 10.2478/achi-2018-0006
R. Chavan, S. Bhinge, M. Bhutkar, D. Randive
Abstract Anew simple, convenient and suitable spectrophotometric method for simultaneous determination of Furosemide and Spironolactone in combined dosage form has been developed and validated. Simultaneous equation method (Vierordt’s method) was used for determination of Furosemide and Spironolactone in combined dosage form. For spectrophotometric method development double distilled water and ethanol were used as a solvent in the ratio of (20:80). The proposed method was quantitatively evaluated in terms of linearity, precision, accuracy, lower limit of detection (LOD) and quantification (LOQ), recovery and robustness. All the parameters were found to be within the acceptance limit. λmax of Furosemide and Spironolactone was found to be 275 and 237 nm respectively. Beer’s law was obeyed over the concentration ranges of 2-10 μg mL−1 for both Furosemide and Spironolactone respectively. The % assay for commercial formulation was found to be 99.60%±0.0500 for Furosemide and 100.26%±1.17 for Spironolactone by the proposed methods. The overall recovery was observed to be 100.38±0.09% for Furosemide and 100.49±0.4197% for Spironolactone by simultaneous equation method (Vierordt’s method). LOD and LOQ were 0.76 and 2.32 μg mL−1 for Furosemide, 1.99 and 6.04 μg mL−1 for Spironolactone. A new simple, convenient, precise, rapid, accurate and economical and reliable spectrophotometric method was developed and validated for the analysis of Furosemide and Spironolactone in bulk drug and their formulations.
建立了一种简单、方便、适用的分光光度法同时测定速尿和螺内酯联合剂型的方法,并进行了验证。采用联立方程法(Vierordt法)测定呋塞米和螺内酯联合剂型的含量。分光光度法采用双蒸馏水和乙醇以20:80的比例作为溶剂。从线性度、精密度、准确度、检测下限(LOD)和定量下限(LOQ)、回收率和鲁棒性等方面对该方法进行了定量评价。各项参数均在验收范围内。速尿和螺内酯的λmax分别为275 nm和237 nm。速尿和螺内酯在2 ~ 10 μg mL−1的浓度范围内均符合比尔定律。采用该方法对市售制剂的%检测结果表明,速尿的%检测结果为99.60%±0.0500,螺内酯的%检测结果为100.26%±1.17。用联立方程法(Vierordt法)测定呋塞米和螺内酯的总回收率分别为100.38±0.09%和100.49±0.4197%。速尿的LOD和LOQ分别为0.76和2.32 μ mL−1,螺内酯的LOD和LOQ分别为1.99和6.04 μ mL−1。建立了一种简单、方便、精确、快速、准确、经济可靠的分光光度法,用于原料药及制剂中呋塞米和螺内酯的分析。
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引用次数: 8
Oral Ingestion Risks of Heavy Metal Accumulation at Top Soils of Automobile Workshops in Owerri Capital City of Imo State, Nigeria 尼日利亚伊莫州首府奥韦里市汽车车间表层土壤重金属的口服摄入风险
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2018-07-01 DOI: 10.2478/achi-2018-0003
E. Agomuo, P. Amadi
Abstract This investigation was carried out to assess the heavy metal concentrations and health risks associated with automobile workshops in Owerri Metropolis. Using an Atomic Absorption Spectrophotometer, soil samples from Orji Mechanic Village (OMV), Naze Mechanic Village (NMV), New Market Automobile Workshops (NMAV), Matrix Mechanic Yard (MMY) and Alvan Mechanic Yard (AMY) were assayed for Silver (Ag), Cobalt (Co), Nickel (Ni), Mercury (Hg), Lead (Pb), Arsenic (As), Chromium (Cr) and Cadmium (Cd) concentrations. The result showed that at majority of the sites, the Ag, Pb, As, and Cd levels exceeded their baseline values, whereas the Ni and Co levels were equivalent to those of their baselines, at some sites. Soil samples at MMY were the most acidic while that of NMAV was the most alkaline. The pollution models indicated very high Ag contamination at OMV, NMV, and NMAV while all the sites showed very high contamination of Pb and Cd, and no Co, Ni, Hg, and Cr pollution was recorded for all the sites as shown by their Igeo values. The result for the enrichment factor showed anthropogenic sources of deposition of these heavy metals at all the sites. From the risk assessment models applied, none of the contaminated sites showed an estimated daily intake, hazard quotient, and total hazard index beyond the reference values, with Pb found to possess the greatest potentials of toxicity. This study has shown the necessity to periodically monitor and apply measures that can halt the environmental decay, occurring at the automobile workshops.
摘要本研究旨在评估奥韦里市汽车车间重金属浓度及其健康风险。采用原子吸收分光光度计对来自奥尔吉机械村(OMV)、纳泽机械村(NMV)、新市场汽车车间(NMAV)、矩阵机械场(MMY)和阿尔万机械场(AMY)的土壤样品进行了银(Ag)、钴(Co)、镍(Ni)、汞(Hg)、铅(Pb)、砷(As)、铬(Cr)和镉(Cd)的测定。结果表明,在大多数地点,银、铅、砷和镉的水平超过了基线值,而在一些地点,镍和钴的水平与基线值相当。MMY土壤样品酸性最强,NMAV土壤样品碱性最强。污染模型显示,在OMV、NMV和NMAV, Ag污染非常高,而所有站点的Pb和Cd污染都非常高,所有站点的Igeo值均未记录到Co、Ni、Hg和Cr污染。富集因子的结果表明,这些重金属在所有地点的沉积都有人为来源。从应用的风险评估模型来看,所有污染场地的日摄入量、危害商数和总危害指数均未超出参考值,Pb具有最大的毒性潜力。这项研究表明,有必要定期监测和采取措施,以制止发生在汽车车间的环境恶化。
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引用次数: 2
Synthesis, Structural and Electrical Studies of Li-Ni-Cu Nano Ferrites Li-Ni-Cu纳米铁氧体的合成、结构和电学研究
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2018-07-01 DOI: 10.2478/achi-2018-0001
Shashidhar N. Adarakatti, Veeresh S. Pattar, Prashant K. Korishettar, B. V. Grampurohit, R. G. Kharabe, A. Kulkarni, S. Mathad, C. S. Hiremath, R. B. Pujar
Abstract Li-Ni ferrite has gained great scientific elicit owing to of its unparalleled properties and applications. The copper doped Li-Ni ferrite has been synthesized by sucrose method. The structure was characterized by X-ray diffraction, which has confirmed the formation of single-phase spinel structure. X-ray diffraction and FTIR data reveals the formation of cubic structure phase. Unit cell parameters vary with copper content; overall variation of the unit cell parameters obeys Vegard’s law. The main absorption bands of spinel ferrite have appeared through IR absorption spectra recorded in the range of 300–700 cm−1. The copper concentration dependence of lattice parameters obeys Vegard’s law. DC electrical resistivity of the prepared samples decreases with increasing in the temperature which shows the semiconducting behaviour of all nano ferrites. The most prominent influence copper doping on the electrical properties of Li-Ni ferrites has been reported.
摘要Li-Ni铁氧体以其无可比拟的性能和应用受到了广泛的科学关注。采用蔗糖法制备了掺杂铜的锂镍铁氧体。通过x射线衍射对其结构进行了表征,证实其为单相尖晶石结构。x射线衍射和FTIR数据显示立方结构相的形成。单体电池参数随铜含量的变化而变化;细胞参数的总体变化服从维加德定律。尖晶石铁素体的主要吸收带出现在300-700 cm−1的红外吸收光谱中。晶格参数对铜浓度的依赖性符合维加德定律。制备的样品的直流电阻率随温度的升高而降低,显示出所有纳米铁氧体的半导体特性。铜掺杂对Li-Ni铁氧体电学性能的影响最为显著。
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引用次数: 3
Morphological and FTIR Studies of Barium Oxalate Single Crystals 草酸钡单晶形貌及红外光谱研究
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2017-12-01 DOI: 10.1515/achi-2017-0016
M. Shedam, R. Shedam, S. Mathad
Abstract The conditions for the gel growth of barium oxalate single crystals in silica gels were studied in this paper. We describe the growth mechanism, effect concentration of feed solution, interchanging of the reactants, the effect of temperature and detailed study of microstructures of barium oxalate single crystals. At higher concentration of feed solution dense fibers were observed. With interchanged feed solution precipitate and spherulites have been obtained. The effect of temperature on growth barium oxalate crystals showed that there was a decrease in nucleation density at higher temperature. The crystals growth were observed under the electron microscope which revealed that the crystal have needle and spherulites structures. We also report the FTIR studies of barium oxalate crystals.
摘要本文研究了草酸钡单晶在硅胶中凝胶生长的条件。叙述了草酸钡单晶的生长机理、影响原料浓度、反应物的交换、温度的影响,并详细研究了草酸钡单晶的微观结构。在较高的料液浓度下,观察到致密的纤维。交换进料溶液可得到沉淀和球晶。温度对草酸钡晶体生长的影响表明,温度越高,草酸钡晶体的成核密度越小。电镜下观察晶体生长,发现晶体具有针状和球晶结构。本文还报道了草酸钡晶体的红外光谱研究。
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引用次数: 1
Levels of Metals in Soils of Ait Ammar Iron Mine, Morocco: Human Health Risks 摩洛哥Ait Ammar铁矿土壤中的金属水平:人类健康风险
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2017-12-01 DOI: 10.1515/achi-2017-0012
M. Nouri, T. E. Rasafi, A. Haddioui
Abstract The concentrations of metals were determined in soil samples collected in Ait Ammar (Oued Zem, Morocco). The mean Cd, Cr, Cu, Fe, Pb and Zn contents in the mining topsoil samples were: 2.12, 135, 34.9, 214, 9.13 and 90.8 mg kg−1, respectively. Human health risks developed from metal ingestion, dermal absorption and inhalation of soils were also evaluated. For non-carcinogenic risks, united hazard index (HI) values for children surpassed the safe level (HI=1) for Cr (13.1). Values for HI in adults (1.74) also surpassed the safe level for Cr. The HI values for Pb and Cd for children were 0.69 and 0.68, respectively. Cancer risk due to Cr surpassed the tolerable range (1E-06 to1E-04) for children (1.05E-03) and for adults (1.42E-04). Cancer risks due to Pb and Cd were within acceptable ranges for both children and adults. Furthermore, oral ingestion of soil particles contributed more highly to both carcinogenic and non-carcinogenic risk from Cr than either dermal absorption or inhalation in both children and adults.
摘要:测定了摩洛哥埃特阿马尔(Oued Zem)地区土壤样品中金属的浓度。矿区表土样品中Cd、Cr、Cu、Fe、Pb和Zn的平均含量分别为:2.12、135、34.9、214、9.13和90.8 mg kg−1。还对金属摄入、皮肤吸收和土壤吸入造成的人类健康风险进行了评估。对于非致癌风险,儿童的统一危害指数(HI)值超过了铬(13.1)的安全水平(HI=1)。成人的HI值(1.74)也超过了铬的安全水平。儿童的铅和镉的HI值分别为0.69和0.68。铬的致癌风险超过了儿童(1.005 e -03)和成人(1.42E-04)的可容忍范围(1E-06至1e -04)。铅和镉导致的癌症风险在儿童和成人可接受的范围内。此外,在儿童和成人中,口服土壤颗粒比皮肤吸收或吸入对铬的致癌和非致癌风险都有更高的贡献。
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引用次数: 3
Contribution to Casein Determination by UV Spectrophotometry 紫外分光光度法测定酪蛋白的贡献
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2017-12-01 DOI: 10.1515/achi-2017-0011
R. Ştefănescu, Stefania Brebu, M. Matei, I. Risca, A. Surleva, G. Drochioiu
Abstract In the present paper, the interaction between copper ions and proteins is presented, in order to elaborate a simple and rapid spectrophotometric assay of casein in milk. Under alkaline conditions, copper ions form the biuret complex with the proteins, which can be used in protein determination. Although very specific, the biuret method is less sensitive. Using insoluble copper phosphate, casein is able to extract copper ions, with which it forms the biuret complex, while either the complex or copper ions could be determined in the ultraviolet range. Indeed, an increased absorbance of biuret complex at 215 nm was found. Nevertheless, copper ions can be determined in UV as well, their concentration being proportional to that of casein. When used tetraglycine instead casein, mass spectrometric measurements at pH higher than 11 revealed the formation of complexes with many copper ions bound to each peptide bond-containing molecule. Nevertheless, on diluting the biuret solution the complex may dissociate leading to very complex UV spectra that should be further studied.
摘要本文研究了铜离子与蛋白质的相互作用,建立了一种简便、快速的牛奶中酪蛋白的分光光度测定方法。在碱性条件下,铜离子与蛋白质形成双缩脲络合物,可用于蛋白质的测定。虽然特异性很强,但双缩脲法的灵敏度较低。酪蛋白利用不溶性的磷酸铜提取铜离子,与铜离子形成双缩脲络合物,而络合物和铜离子均可在紫外范围内测定。事实上,在215 nm处发现双缩脲络合物的吸光度增加。然而,铜离子也可以在紫外线下测定,它们的浓度与酪蛋白的浓度成正比。当使用四甘氨酸代替酪蛋白时,在pH值高于11时的质谱测量显示,在每个肽键的分子上形成了许多铜离子结合的复合物。然而,在稀释双缩脲溶液时,配合物可能解离,导致非常复杂的紫外光谱,这应该进一步研究。
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引用次数: 13
K2CO3: A Mild and Efficient Catalyst for the Synthesis of Pyran Annulated Heterocyclic Systems by Grinding Method Under Solvent-Free Conditions K2CO3:无溶剂条件下研磨法合成吡喃环杂环体系的温和高效催化剂
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2017-12-01 DOI: 10.1515/achi-2017-0014
R. Heydari, Rohollah Rahimi, M. Kangani, Afshin Yazdani-Elah-Abadi, M. Lashkari
Abstract The potassium carbonate was applied as a green and efficient catalyst for the one-pot synthesis of pyran annulated heterocyclic systems, via the condensation between aromatic aldehydes, malononitrile and dimedone/1-naphtole by a grinding method at room temperature and solvent-free conditions. Short reaction times, environmentally friendly procedure and excellent yields are the main advantages of this procedure which makes it more economic than other environmentally synthetic methods.
摘要以碳酸钾为绿色高效催化剂,在室温无溶剂条件下,采用研磨法,通过芳香醛、丙二腈和二米酮/1-萘酚的缩合反应,一锅合成吡喃环杂环体系。反应时间短、过程环保、收率高是该方法的主要优点,使其比其他环保合成方法更具经济性。
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引用次数: 3
Study of Dendrimers by Topological Indices 树状大分子的拓扑指数研究
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2017-12-01 DOI: 10.1515/achi-2017-0013
N. Soleimani, S. B. Bahnamiri, M. Nikmehr
Abstract In this paper, five degree based topological indices, the first Zagreb (M1), second Zagreb (M2), first multiple Zagreb (PM1), second multiple Zagreb (PM2), and the hyper Zagreb (HM) indices of two types of dendrimers are studied. In addition, two distance based topological indices, the total eccentricity (θ) and eccentric connectivity (ξc) indices of these dendrimers are computed.
摘要本文研究了两类树状大分子的五度拓扑指标,即第一次Zagreb (M1)、第二次Zagreb (M2)、第一次多次Zagreb (PM1)、第二次多次Zagreb (PM2)和超Zagreb (HM)指标。此外,还计算了树状大分子的总偏心度(θ)和偏心连通性(ξc)两个基于距离的拓扑指标。
{"title":"Study of Dendrimers by Topological Indices","authors":"N. Soleimani, S. B. Bahnamiri, M. Nikmehr","doi":"10.1515/achi-2017-0013","DOIUrl":"https://doi.org/10.1515/achi-2017-0013","url":null,"abstract":"Abstract In this paper, five degree based topological indices, the first Zagreb (M1), second Zagreb (M2), first multiple Zagreb (PM1), second multiple Zagreb (PM2), and the hyper Zagreb (HM) indices of two types of dendrimers are studied. In addition, two distance based topological indices, the total eccentricity (θ) and eccentric connectivity (ξc) indices of these dendrimers are computed.","PeriodicalId":6958,"journal":{"name":"Acta Chemica Iasi","volume":"65 1","pages":"145 - 162"},"PeriodicalIF":0.5,"publicationDate":"2017-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81096549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
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Acta Chemica Iasi
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