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Novel Magnetism and Band Gap Tailoring in N-doped CdS:Cr Nanocomposites for Optomagnetic Applications 用于光磁应用的 N 掺杂 CdS:Cr 纳米复合材料中的新型磁性和带隙裁剪
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-12-27 DOI: 10.13005/ojc/390620
Surya Sekhar Reddy M, Kishore Kumar Y B
Nitrogen and chromium co-doped cadmium sulfide nanocomposites (NCps) were successfully synthesized using a simple co-precipitation method (Cpm). To evaluate their structural attributes, X-ray diffraction (XRD) analysis, conducted with X’pert high score plus software, confirmed the composite nature and established their particle size within the nano range, measuring between 1 to 1.6 nm. Further characterization, employing Fourier transform infrared spectroscopy (FTIR) confirms the presence of Cr and N. The energy dispersive X- ray spectroscopy (EDX) provided compelling evidence of the integration of chromium and nitrogen into the CdS host matrix. An interesting outcome of the UV-VIS diffused reflectance spectra (DRS) analysis was the significant blue shift observed in the band gap resulting from the introduction of chromium, accompanied by a Burstein-Moss effect, leading to a red shift as the nitrogen concentration increased. The intense green light emission witnessed in photoluminescence (PL) studies was associated with the trapping of nitrogen and Cr2+ within F- centers. Moreover, vibrating sample magnetometer (VSM) investigations unveiled distinct magnetic behaviors of the nanocomposites, particularly at low magnetic fields. These findings reveal a potential for tailoring band gaps and presenting novel magnetic properties, which could hold substantial promise for applications in optomagnetic and spintronic smart devices.
采用简单的共沉淀法(Cpm)成功合成了氮和铬共掺杂硫化镉纳米复合材料(NCps)。为了评估其结构属性,使用 X'pert 高分辨率软件进行了 X 射线衍射(XRD)分析,确认了其复合性质,并确定其粒度在纳米范围内,在 1 至 1.6 纳米之间。能量色散 X 射线光谱(EDX)提供了铬和氮融入 CdS 主基质的有力证据。紫外-可见光漫反射光谱(DRS)分析的一个有趣结果是,由于铬的引入,在带隙中观察到明显的蓝移,同时伴有伯斯坦-莫斯效应,随着氮浓度的增加而导致红移。光致发光(PL)研究中观察到的强烈绿光发射与氮和 Cr2+ 在 F- 中心的捕获有关。此外,振动样品磁力计(VSM)研究揭示了纳米复合材料的独特磁性,尤其是在低磁场下。这些发现揭示了定制带隙和呈现新型磁性能的潜力,为光磁和自旋电子智能设备的应用带来了巨大希望。
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引用次数: 0
Evaluation of Oxidative Stress level and some Antioxidant enzymes activity parameters in patients with type two diabetes mellitus 评估二型糖尿病患者的氧化应激水平和一些抗氧化酶活性参数
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-12-27 DOI: 10.13005/ojc/390621
Darya Assi Younus, Rebaz M Mustaffa, Rezhna Adil Rashid, S. S. Hamad, Hemn R. Salih, Dlshad Saadulla Othman, Kamaran K. Abdulrahman
Diabetes, a group of metabolic disorders characterized by dysregulation of oxidative stress and elevated blood glucose levels. It has been studied with emphasis on malondialdehyde (MDA) and glutathione (GSH) levels as biomarkers of lipid peroxidation and antioxidant activity in the serum of type II Diabetes examines patients. The study involved the analysis of 105 serum samples from 75 type II diabetes patients and 30 healthy individuals. MDA and GSH levels served as measures of oxidative stress and antioxidant activity, respectively. In addition, lipid profiles were examined, which include measurements such as total cholesterol (total C), triglycerides (TG), low-density lipoprotein cholesterol (LDL-C), and high-density lipoprotein cholesterol (HDL-C). The results showed significantly increased MDA, total cholesterol, triglycerides and glucose levels in the diabetic group compared to controls. In contrast, GSH and HDL levels were significantly lower in diabetics. In the type 2 diabetes patient group, a correlation between glucose levels and MDA concentration was observed, while no other significant associations were found between lipid profile parameters, glucose levels and MDA or GSH levels. Studies show the complex connection between diabetes and the increase in free radicals and the corresponding decrease in antioxidant synthesis. This dynamic interaction is an important factor in the development of oxidative stress.
糖尿病是一组以氧化应激失调和血糖水平升高为特征的代谢紊乱疾病。研究重点是 II 型糖尿病患者血清中作为脂质过氧化和抗氧化活性生物标志物的丙二醛(MDA)和谷胱甘肽(GSH)水平。研究分析了来自 75 名 II 型糖尿病患者和 30 名健康人的 105 份血清样本。MDA 和 GSH 水平分别作为氧化应激和抗氧化活性的测量指标。此外,还研究了血脂概况,包括总胆固醇(total C)、甘油三酯(TG)、低密度脂蛋白胆固醇(LDL-C)和高密度脂蛋白胆固醇(HDL-C)等指标。结果显示,与对照组相比,糖尿病组的 MDA、总胆固醇、甘油三酯和葡萄糖水平明显升高。相比之下,糖尿病患者的 GSH 和 HDL 水平则明显较低。在 2 型糖尿病患者组中,观察到葡萄糖水平与 MDA 浓度之间存在相关性,而在血脂概况参数、葡萄糖水平和 MDA 或 GSH 水平之间没有发现其他明显的关联。研究表明,糖尿病与自由基的增加和抗氧化剂合成的相应减少之间存在复杂的联系。这种动态的相互作用是氧化应激发展的一个重要因素。
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引用次数: 0
Design, Synthesis, Molecular Docking, Invitro Anticancer and Antibacterial Evaluation of Novel Pyrazole Linked with Quinazoline Scaffolds 新型吡唑与喹唑啉支架的设计、合成、分子对接、体外抗癌和抗菌评估
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-12-27 DOI: 10.13005/ojc/390635
Mohd Afroz, G. S. kumar
A novel series of compounds are synthesized N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-3-oxo-3-(3,5-diphenyl-2H-pyrazol-1(5 H)-yl) propenamide (3a-l). All the synthesized compounds are characterized by different spectral tools 1HNMR, IR,13CNMR, and MASS. It was screened as in vitro anticancer and antibacterial activity. Among the synthesized compounds 3d and 3e exhibit potent against three cancer cell-line MCF7, PC-3, HT-29. IC50(µM) 3d (16.52, 13.24, 10.15 μg/ml) 3e (17.28, 15.26, 12.33 μg/ml) with standard drugs doxorubicin (15.29, 12.26, 9.06 μg/ml) and 5-fluorouracil (16.15, 13.73, 10.25 μg/ml). Antibacterial activity 3d, 3e, 3j, 3k scaffolds exhibit a promising activity with the standard drug ciprofloxacin. Insilico molecular docking is examined, Its predicted a good binding affinity against with 5C5S, 6XXN, 3K46 proteins.
合成了一系列新型化合物 N-(2-甲基-4-氧代喹唑啉-3(4H)-基)-3-氧代-3-(3,5-二苯基-2H-吡唑-1(5H)-基)丙烯酰胺 (3a-l)。所有合成化合物均通过不同的光谱工具 1HNMR、IR、13CNMR 和 MASS 进行表征。对其进行了体外抗癌和抗菌活性筛选。在合成的化合物中,3d 和 3e 对 MCF7、PC-3、HT-29 三种癌细胞线具有强效作用。与标准药物多柔比星(15.29, 12.26, 9.06 μg/ml)和 5-氟尿嘧啶(16.15, 13.73, 10.25 μg/ml)相比,3d(16.52, 13.24, 10.15 μg/ml)和 3e(17.28, 15.26, 12.33 μg/ml)的 IC50(µM)分别为 16.52、13.24、10.15 μg/ml和 12.33 μg/ml。抗菌活性 3d、3e、3j、3k 与标准药物环丙沙星相比显示出良好的活性。根据分子对接研究,3d、3e、3j、3k 与 5C5S、6XXN、3K46 蛋白具有良好的结合亲和力。
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引用次数: 0
Design, In Silico Studies, and Synthesis of Some Azole Derivatives as Antimicrobial Agents 作为抗菌剂的一些偶氮唑衍生物的设计、硅学研究和合成
IF 0.5 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-12-27 DOI: 10.13005/ojc/390618
Syeda Huma H. Zaidi, Abida Ash Mohd, Mohd Imran, Menwah Khalifah Alshammari, Khattab Fahed Alfrah
This work relates to the discovery of safer and more potent triazole-pyridazinone hybrid (TP) compounds as an inhibitor of sterol 14α-demethylase (SDM). The chemical structures of thirty-three TPs (TP1 to TP33) were designed. The docking scores (DS) of TPs were determined by molecular docking software utilizing three different proteins of SDM (PDB IDs: 3LD6, 5FSA, and 5TZ1). The ProTox II web server predicted TPs' oral LD50 and toxicity class (TC), whereas the Swiss-ADME database anticipated their pharmacokinetic parameters. Based on the in silico study data, four TPs (TP18, TP22, TP27, and TP33) were synthesized and evaluated for their in vitro antifungal activity against seven fungi. The DS (kcal/mol) of TP18 (3LD6 = -8.27; 5FSA = -9.07; 5TZ1 = -9.42), TP22 (3LD6 = -8.23; 5FSA = -8.93; 5TZ1 = -9.57), TP27 (3LD6 = -8.31; 5FSA = -9.12; 5TZ1 = -9.38), and TP33 (3LD6 = -8.19; 5FSA = -8.98; 5TZ1 = -9.94) were better than the DS of fluconazole (3LD6 = -8.18; 5FSA = -8.79; 5TZ1 = -9.18) and ketoconazole (3LD6 = -8.16; 5FSA = -8.86; 5TZ1 = -9.06) implying high potency of TP18, TP22, TP27 and TP33 than fluconazole and ketoconazole against SDM. The anticipated LD50 and toxicity class (TC) of TP18 (500 mg/kg; TC 4), TP22 (500 mg/kg; TC 4), TP27 (1000 mg/kg; TC 4), and TP33 (1000 mg/kg; TC 4) was better than ketoconazole (166 mg/kg; TC 3). The Swiss-ADME database results revealed that TP18, TP22, TP27, and TP33 passed Lipinski’s drug-likeliness rule and demonstrated high oral absorption and bioavailability comparable to ketoconazole and fluconazole. The synthesized compounds' spectral data (FTIR, 1H-NMR, 13C-NMR, and Mass) aligned to their designed chemical structure. The antifungal activity data implies that TP18, TP22, TP27, and TP33 were better antifungal agents than fluconazole and ketoconazole against tested fungi. These findings concurred with the DS of TP18, TP22, TP27, and TP33. In conclusion, TP18, TP22, TP27, and TP33 represent a new chemical template for developing safer and better SDM inhibitors as antifungal agents.
这项研究旨在发现更安全、更有效的三唑哒嗪酮杂化(TP)化合物,作为甾醇 14α- 去甲基化酶(SDM)的抑制剂。研究人员设计了 33 种 TP(TP1 至 TP33)的化学结构。利用三种不同的 SDM 蛋白(PDB IDs:3LD6、5FSA 和 5TZ1),通过分子对接软件确定了 TPs 的对接分数(DS)。ProTox II 网络服务器预测了 TPs 的口服半数致死剂量(LD50)和毒性等级(TC),而 Swiss-ADME 数据库则预测了它们的药代动力学参数。根据硅学研究数据,合成了四种 TPs(TP18、TP22、TP27 和 TP33),并评估了它们对七种真菌的体外抗真菌活性。TP18 (3LD6 = -8.27; 5FSA = -9.07; 5TZ1 = -9.42), TP22 (3LD6 = -8.23; 5FSA = -8.93; 5TZ1 = -9.57)、TP27(3LD6 = -8.31;5FSA = -9.12;5TZ1 = -9.38)和 TP33(3LD6 = -8.19;5FSA = -8.98;5TZ1 = -9.94)优于氟康唑(3LD6 = -8.18;5FSA = -8.79;5TZ1 = -9.18)和酮康唑(3LD6 = -8.16;5FSA = -8.86;5TZ1 = -9.06)的 DS,这意味着 TP18、TP22、TP27 和 TP33 比氟康唑和酮康唑对 SDM 具有更高的效力。TP18(500 毫克/千克;TC 4)、TP22(500 毫克/千克;TC 4)、TP27(1000 毫克/千克;TC 4)和 TP33(1000 毫克/千克;TC 4)的预期半数致死剂量和毒性等级(TC)均优于酮康唑(166 毫克/千克;TC 3)。瑞士-ADME 数据库的结果表明,TP18、TP22、TP27 和 TP33 通过了 Lipinski 的药物亲和性规则,其口服吸收率和生物利用度与酮康唑和氟康唑相当。合成化合物的光谱数据(傅立叶变换红外光谱、1H-核磁共振、13C-核磁共振和质谱)与其设计的化学结构相符。抗真菌活性数据表明,TP18、TP22、TP27 和 TP33 是比氟康唑和酮康唑更好的抗真菌剂。这些发现与 TP18、TP22、TP27 和 TP33 的 DS 相吻合。总之,TP18、TP22、TP27 和 TP33 代表了一种新的化学模板,可用于开发更安全、更好的 SDM 抑制剂作为抗真菌剂。
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引用次数: 0
Quantification of Telmisartan and Azelnidipine Combination in using Liquid Chromatography: Stability Studies 替米沙坦与阿泽尼地平联用的液相色谱定量:稳定性研究
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390525
B.S.A. Andrews, V D N Kumar Abbaraju, Shaik Lakshman, Sreeram V, Kancharla Vijayalakshm
A stability-indicating RP-HPLC method for the development of Telmisartan (TTN) and Azelnidipine (ADN) is analyzed in tablet dosage form. The quantification of TTN and ADN combination is done by Supel cosil C18 column (250 mm, 4.6 mm, & 5 µm). Isocratic mobile phase had mobile phase consists of 0.10M Na2SO4(pH 3.6) and acetonitrile (pH 3.6) as 55:45v/v. For this analysis flow rate is measured as 1.00 ml/min. Wavelength is identified as 258nm to examine TTN and ADN. Stability for both these drugs under distinctive environments were performed. Injected volume is 10μL. Run time is 8min. Retention time is 2.8 and 3.7 respectively. The responses were linear in the concentrate range as 37.4-110.3 for TTN and 2.24-10.51 µg/mL for ADN respectively. Percent comparative standard deviance to precision is 0.193% for TTN, 0.195% for ADN. Percent assay to accuracy for both these drugs are 98.76% and 99.04% respectively. LOD values for TTN and ADN were 0.020μg/ml and 0.065μg/ml and LOQ values for TTN and ADN were 0.009μg/ml and 0.031μg/ml. Robustness studies revealed that this method is robust by percent comparative standard deviance. This stability-indicating RP-HPLC procedure to both TTN, ADN analysis is more simple, highly sensitive, more precise, highly specific and robust, making it appropriate to the assessment of TTN and ADN in formulation.
采用稳定性指示反相高效液相色谱法对替米沙坦(TTN)和阿泽尼地平(ADN)片剂剂型进行了研究。TTN和ADN组合的定量采用Supel cosil C18色谱柱(250 mm, 4.6 mm, &5µm)。等压流动相由0.1 m Na2SO4(pH 3.6)和乙腈(pH 3.6)组成,流动相为55:45v/v。对于该分析,流速测量为1.00 ml/min。波长确定为258nm,检测TTN和ADN。研究了这两种药物在不同环境下的稳定性。注射量为10μL。运行时间为8分钟。滞留时间分别为2.8和3.7。在TTN浓度为37.4 ~ 110.3µg/mL, ADN浓度为2.24 ~ 10.51µg/mL范围内呈线性关系。TTN的相对标准偏差为0.193%,ADN的相对标准偏差为0.195%。两种药物的检测准确度分别为98.76%和99.04%。TTN和ADN的检出限分别为0.020和0.065μg/ml, TTN和ADN的检出限分别为0.009和0.031μg/ml。稳健性研究表明,该方法是稳健性的百分比比较标准偏差。该稳定性指示RP-HPLC法对TTN、ADN的分析更简便、灵敏度高、精度高、特异性强、鲁棒性好,适用于TTN和ADN在制剂中的评价。
{"title":"Quantification of Telmisartan and Azelnidipine Combination in using Liquid Chromatography: Stability Studies","authors":"B.S.A. Andrews, V D N Kumar Abbaraju, Shaik Lakshman, Sreeram V, Kancharla Vijayalakshm","doi":"10.13005/ojc/390525","DOIUrl":"https://doi.org/10.13005/ojc/390525","url":null,"abstract":"A stability-indicating RP-HPLC method for the development of Telmisartan (TTN) and Azelnidipine (ADN) is analyzed in tablet dosage form. The quantification of TTN and ADN combination is done by Supel cosil C18 column (250 mm, 4.6 mm, & 5 µm). Isocratic mobile phase had mobile phase consists of 0.10M Na2SO4(pH 3.6) and acetonitrile (pH 3.6) as 55:45v/v. For this analysis flow rate is measured as 1.00 ml/min. Wavelength is identified as 258nm to examine TTN and ADN. Stability for both these drugs under distinctive environments were performed. Injected volume is 10μL. Run time is 8min. Retention time is 2.8 and 3.7 respectively. The responses were linear in the concentrate range as 37.4-110.3 for TTN and 2.24-10.51 µg/mL for ADN respectively. Percent comparative standard deviance to precision is 0.193% for TTN, 0.195% for ADN. Percent assay to accuracy for both these drugs are 98.76% and 99.04% respectively. LOD values for TTN and ADN were 0.020μg/ml and 0.065μg/ml and LOQ values for TTN and ADN were 0.009μg/ml and 0.031μg/ml. Robustness studies revealed that this method is robust by percent comparative standard deviance. This stability-indicating RP-HPLC procedure to both TTN, ADN analysis is more simple, highly sensitive, more precise, highly specific and robust, making it appropriate to the assessment of TTN and ADN in formulation.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"40 7","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136068034","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: 0
Study of Corrosion Resistant Property of Benzoxazine Synthesised from Euginol with N-Butylamine and Copolymerised with Polyurethane on Mild Steel 由丁香醇与正丁胺合成并与聚氨酯共聚在低碳钢上的苯并恶嗪的耐腐蚀性能研究
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390512
Jayanthi Kannaiyan, Sivaraju Mani
In this work, we have synthesized a new eugenol based benzoxazine monomer from eugenol, paraformaldehyde and n-butyl amine. The synthesized monomer was characterized by 1H NMR, 13C NMR, UV-Visible and FT-IR spectroscopy. The monomer was then co-polymerized with isocyanate hardener on the surface of the mild steel with three different composition. After that it was cured in a muffle furnace to get poly(benzoxazine-urethane). The copolymer’s characterized by UV and FT-IR spectroscopic techniques. The anti-corrosive property of the co-polymer was investigated using polarization and EIS techniques against 3.5% NaCl solution. For additional support for this work, DFT studies also carried out for monomer and its copolymer. Water absorption and gel absorption studies were also done to add evidences for the hydrophobicity of the monomer and the copolymers.
本文以丁香酚、多聚甲醛和正丁胺为原料合成了一种新的丁香酚基苯并恶嗪单体。通过1H NMR、13C NMR、紫外-可见光谱和FT-IR光谱对合成的单体进行了表征。然后将该单体与异氰酸酯硬化剂在三种不同组成的低碳钢表面共聚合。然后在马弗炉中固化得到聚苯并恶嗪-氨基甲酸乙酯。用紫外光谱和红外光谱对共聚物进行了表征。利用极化和EIS技术研究了共聚物对3.5% NaCl溶液的防腐性能。为了进一步支持这项工作,还对单体及其共聚物进行了DFT研究。为了进一步证明单体和共聚物的疏水性,还进行了吸水和凝胶吸附实验。
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引用次数: 0
Cissus Quadrangularis is a Potential Anticancer Herb: A-Review 四角草是一种潜在的抗癌草药:综述
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390509
Arthi Rashmi D, Sangilimuthu Alagar Yadav, Harishchander A, Karpagavalli M, Ranjithkumar D
Cancer is uncontrolled growth of abnormal cells due to heredity, mutation, genetic factors, environment factors, chain smoking, alcoholic addiction and exposure of chemical carcinogen. Treating modern medicine for cancer are producing numerous adverse effects. Hence natural remedy is essential to combat disease with less side effects. Eighty percentage of the peoples are used the medicinal plants for various illness in developing countries asper the WHO survey. The present review was written extensively with past scientific reports on Cissus quadrangularis (CQ) and its anticancer properties. From the ancient times the various parts of CQ have used for various diseases and disorders as folk medicine by traditional healer and practice. Traditionally CQ has vital role in various disease management. Its active extracts and ingredients reported against various diseases such as inflammation, cancer, ulcer, bone fracture and epilepsy. Still its therapeutic potentials not yet fully explored to use common people after clinical trial. Mainly CQ and its active phytoconstituents contains potential action for the treatment of various types of cancer which is scientifically proven upto the lab scale that needs to be evolved as medicine for world threatened disease cancer.
癌症是由于遗传、突变、遗传因素、环境因素、连续吸烟、酗酒和接触化学致癌物而导致的异常细胞不受控制的生长。现代医学治疗癌症产生了许多副作用。因此,自然疗法对于减少副作用的疾病是必不可少的。根据世界卫生组织的调查,发展中国家80%的人使用药用植物治疗各种疾病。本综述广泛地结合了以往关于四角草(CQ)及其抗癌特性的科学报道。从古代开始,中医的各个部分就被传统的治疗师和实践用作治疗各种疾病和失调的民间药物。传统上,CQ在各种疾病的治疗中起着至关重要的作用。据报道,其活性提取物和成分可治疗多种疾病,如炎症、癌症、溃疡、骨折和癫痫。但经临床试验后,其治疗潜力尚未充分开发用于普通人。主要是CQ及其活性植物成分具有治疗各种类型癌症的潜在作用,已被科学证明达到实验室规模,需要发展成为世界威胁疾病癌症的药物。
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引用次数: 0
Synthesis and Cyclooxygenase-2 Inhibitory Activity Evaluation of Some Pyridazine Derivatives 吡嗪类衍生物的合成及环氧合酶-2抑制活性评价
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390504
Mohd Imran, Abida Ash Mohd, Naira Nayeem, Nawaf M. Al-Otaibi, Malik Homoud, Muhannad Thafi Alshammari
This work aimed to discover safe and effective pyridazine-based cyclooxygenase-2 (COX-2) inhibitors. Thirty-three pyridazine-based compounds (compounds 1 to 33) were designed. The in silico studies were conducted to predict their toxicity, docking scores (DS), pharmacokinetic parameters, and drug-likeliness properties compared to celecoxib. Based on the safety and efficacy data obtained by in silico studies, four compounds (7, 12, 16, and 24) were synthesized, and the spectral analysis confirmed their chemical structures. Additionally, the in vitro COX-2 inhibitory activity of these four compounds was evaluated. Eleven compounds were predicted as non-toxic compounds. The DS of four compounds, 7 (DS = -9.72 kcal/mol), 12 (DS = -10.48 kcal/mol), 16 (DS = -9.71 kcal/mol), and 24 (DS = -9.46 kcal/mol), was better than celecoxib (DS = -9.15). These compounds (7, 12, 16, and 24) also demonstrated better oral absorption (83.53% each) than celecoxib (79.20%) in addition to their promising drug-likeliness properties. The compounds 7 (101.23%; p < 0.05), 12 (109.56%; p < 0.05), 16 (108.25%; p < 0.05), and 24 (103.90%; p < 0.05) also exhibited superior COX-2 inhibition to celecoxib (100%; p < 0.05). Compounds 7, 12, 16, and 24 are useful lead compounds in developing drugs for various diseases in which high levels of COX-2 are implicated.
本工作旨在发现安全有效的吡啶类环氧化酶-2 (COX-2)抑制剂。设计了33个吡嗪类化合物(化合物1 ~ 33)。与塞来昔布相比,进行了计算机研究来预测它们的毒性、对接评分(DS)、药代动力学参数和药物可能性特性。基于硅实验获得的安全性和有效性数据,合成了4个化合物(7、12、16和24),并通过光谱分析确定了它们的化学结构。此外,我们还对这四种化合物的体外COX-2抑制活性进行了评价。11种化合物被预测为无毒化合物。化合物7 (DS = -9.72 kcal/mol)、12 (DS = -10.48 kcal/mol)、16 (DS = -9.71 kcal/mol)和24 (DS = -9.46 kcal/mol)的DS均优于塞来昔布(DS = -9.15)。这些化合物(7、12、16和24)也表现出比塞来昔布(79.20%)更好的口服吸收(各为83.53%)。化合物7 (101.23%;p & lt;0.05), 12 (109.56%;p & lt;0.05), 16 (108.25%;p & lt;0.05), 24 (103.90%;p & lt;0.05)也表现出优于塞来昔布的COX-2抑制作用(100%;p & lt;0.05)。化合物7、12、16和24是有用的先导化合物,可用于开发与高水平COX-2有关的各种疾病的药物。
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引用次数: 0
Development of a Multi Residue Method for the Quantification of 45 Pesticides Using Gc-Ms/Ms and Study of Peeling Effect on Pesticide Residues in Citrus Fruits Gc-Ms/Ms多残留定量方法的建立及柑桔果实中农药残留脱皮效应研究
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390507
R. Ramadevi, C. Ramachandraiah, G.V. Subba Reddy
An analytical method was developed and validated for the determination of 45 multi-class pesticide residues in citrus fruit samples collected from and around Pulivendula, India, using GC-MS/MS (Gas chromatography with tandem mass spectrometry) followed by the QuEChERS extraction method . The linear regression coefficients (R-square) of the methods range from 0.998 to 0.999, and the Limit of Detection (LOD) and Limit of Quantification (LOQ) are 1.56 to 25.23 ng/mL and 4.72 to 76.47 ng/mL, respectively. Recoveries of all spiked pesticides range from 82.6 to 117.6%, with a RSD (Relative Standard Deviation) less than 11.2%. The results show that 42 out of 45 pesticides were detected in whole citrus fruit pulp (with peel) samples. Fenthion, bifenthrin, and fenvalerate were not detected. In the collected citrus samples, phorate (21.71 µg/kg), and ethion (51.47 µg/kg) insecticides are present above the Maximum Residue Level (MRL), but cypermethrin (25.89 µg/kg) was detected below the MRL. 13 out of 45 pesticides were detected in edible parts of citrus fruit (without peel) samples, with ethion having the highest residue. All pesticides were within the MRL limits prescribed by the European Union (EU) and Codex regulations for MRL in citrus fruits, and peeling was found to be one of the best ways to get rid of pesticide residues.
采用气相色谱-串联质谱联用技术(GC-MS/MS)和QuEChERS萃取法,建立了印度pullivendula及周边地区柑橘类水果样品中45种农药残留的分析方法,并进行了验证。方法的线性回归系数为0.998 ~ 0.999,检出限(LOD)为1.56 ~ 25.23 ng/mL,定量限(LOQ)为4.72 ~ 76.47 ng/mL。加标回收率为82.6 ~ 117.6%,相对标准偏差(RSD)小于11.2%。结果表明,45种农药中有42种在柑橘果肉(含果皮)中检出。未检出倍硫磷、联苯菊酯和氰戊酸酯。在所采集的柑橘样品中,磷酯(21.71µg/kg)和乙硫醚(51.47µg/kg)高于最大残留限量(MRL),氯氰菊酯(25.89µg/kg)低于最大残留限量。45种农药中有13种在柑橘类水果(无果皮)的可食用部分检测到,其中以乙硫醚残留量最高。所有农药均在欧盟(EU)和食品法典(Codex)规定的残留限量范围内,剥皮是去除残留农药的最佳方法之一。
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引用次数: 0
Synthesis and Characterization of 6-Amino Caproic Acid Tkp-Based Resin for Wastewater Treatment 废水处理用6-氨基己酸tkp基树脂的合成与表征
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390536
Sugan Kanwar, A. V. Singh
The natural polysaccharide-based resin of tamarind using functional group as 6-amino caproic acid has been synthesized by porath’s method. Their adsorption behavior also evaluated by determination of % adsorption of toxic metal ions from stock solution as well as industrial effluents by batch method and column separation experiment. Their physiochemical properties as bulk density, ion exchange capacity, and FTIR, were investigated. Using the batch equilibrium approach, Kd of five metal ions at various pH levels was investigated. The maximum removal % of metal ions of Cu+2, Fe+2, Zn+2, Cd+2, and Pb+2 at TACA resin were found at 97.97%,97.80%, 96.39%, 94.94%, and 91.90% respectively. Distribution ratio of these ions observed from pH 2 to 8 was Cu+2 > Fe+2> Zn+2> Cd+2 > Pb+2. The toxic metal ions from discharge samples of the metallurgical and mineral industries have been removed using ion exchange resins. Recovery of Zn (Ⅱ), Pb (Ⅱ), Cd (Ⅱ), Cu (Ⅱ), and Fe (Ⅱ) were obtained at 95.44, 96.27, 96.41, 98.82, and 100% respectively. The ion exchange capacity of TACA resin was found 2.24mmol/g
以6-氨基己酸为官能团,采用波拉斯法合成了罗望子天然多糖基树脂。通过批处理法和柱分离实验对原液和工业废水中有毒金属离子的吸附率进行了评价。研究了它们的体积密度、离子交换容量和红外光谱等理化性质。采用间歇平衡法,研究了5种金属离子在不同pH水平下的Kd值。TACA树脂对Cu+2、Fe+2、Zn+2、Cd+2和Pb+2的最大去除率分别为97.97%、97.80%、96.39%、94.94%和91.90%。pH = 2 ~ 8时,这些离子的分布比为Cu+2 >铁+ 2比;锌+ 2比;Cd + 2比;Pb + 2。利用离子交换树脂去除冶金和矿产工业排放样品中的有毒金属离子。Zn(Ⅱ)、Pb(Ⅱ)、Cd(Ⅱ)、Cu(Ⅱ)和Fe(Ⅱ)的回收率分别为95.44、96.27、96.41、98.82和100%。TACA树脂的离子交换容量为2.24mmol/g
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Oriental Journal Of Chemistry
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