Rasayan Journal of Chemistry最新文献_第3页

DIMERIZATION AND HYDRATION OF GLYOXYLIC ACID: A COMPUTATIONAL STUDY 乙醛酸的二聚化和水化:一个计算研究

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1638378

Ruchi Kohli, Anu Mittal, A. Mittal

{"title":"DIMERIZATION AND HYDRATION OF GLYOXYLIC ACID: A COMPUTATIONAL STUDY","authors":"Ruchi Kohli, Anu Mittal, A. Mittal","doi":"10.31788/rjc.2023.1638378","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638378","url":null,"abstract":"The hydrogen-bonded dimers and 1:1 complexes formed between glyoxylic acid (GA) and H2O have been investigated employing computational techniques like Natural Bond Orbital (NBO) analysis and Atoms in Molecules (AIM) etc. All calculations are carried at B3LYP/6-311++G** level. Seven dimers and four monohydrates are located on the potential energy surface (PES) each for intramolecular hydrogen bonding (IHB) stabilized G3 and non-IHB stabilized rotamer G1. The most stable dimer and hydrate are formed by non-IHB stabilized rotamer G1. In the most stable dimer, two GA units interact in a duo of C=O…H-O hydrogen bonds forming an eight-membered ring structure. In most stable hydrate, H2O acts as a hydrogen bond acceptor and GA acts as an HB donor. The stabilization energies are calculated and the effect of basis set superposition errors (BSSE) is also considered. A good correlation is found between S.E. and the sum of AIM electron densities at bond critical points for both dimers and hydrates. The gas phase hydration and clustering of GA drive new particle formation for atmospheric aerosols, which affect climate, weather, and human health, hence the study has a significant environmental concern.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69412185","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

EXPLORATION OF COPPER-BASED COORDINATION POLYMER AS CATALYST: HIGH YIELD OXIDATIVE COUPLING OF BENZYLAMINE TO IMINE 铜基配位聚合物催化苯胺与亚胺高收率氧化偶联的探索

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1638350

Aieshri Swargiary

引用次数: 0

GREEN SYNTHESIS AND CHARACTERIZATION OF CODOPED ZnO NANOPARTICLES VIA THE ACCUMULATION OF COBALT ION ONTO PISTIA (Pistia stratiotes L.,) PLANT TISSUE AND ITS PHOTOCATALYTIC ACTIVITY TOWARD ORGANOSULFUR POLLUTANTS 绿色合成、钴离子富集共掺杂氧化锌纳米粒子及其对有机硫污染物的光催化活性研究

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2021.1618165

N. Rani, P. Pavani, Chebolu Naga Sesha Sai Pavan Kumar, Satwinder Singh Marok, S. Tulasi

{"title":"GREEN SYNTHESIS AND CHARACTERIZATION OF CODOPED ZnO NANOPARTICLES VIA THE ACCUMULATION OF COBALT ION ONTO PISTIA (Pistia stratiotes L.,) PLANT TISSUE AND ITS PHOTOCATALYTIC ACTIVITY TOWARD ORGANOSULFUR POLLUTANTS","authors":"N. Rani, P. Pavani, Chebolu Naga Sesha Sai Pavan Kumar, Satwinder Singh Marok, S. Tulasi","doi":"10.31788/rjc.2021.1618165","DOIUrl":"https://doi.org/10.31788/rjc.2021.1618165","url":null,"abstract":"Water pollution has recently become a serious global problem and hence researchers were focusing to develop innovative methods for the purification of water and then getting access to purified water by reducing pollution. As a result, the current study concentrated on synthesizing cobalt-doped zinc oxide nanoparticles by accumulating cobalt ions on Pistia (Pistiastratiotes L.) plant tissue and combining them with zinc acetate precursor. Further, the synthesized particles were analyzed for their efficiency in photo-desulphurization of organo sulphur compounds such as Dibenzothiophene and 2,5-dimethyl thiophene. Various characterization studies proved that the nanoparticles were oval in shape and had particle sizes of 8-34 nm and the particles were distributed with less aggregation. The particles have 47 % of zinc element and 21% cobalt with hexagonal (wurtzite) crystalline structure. The synthesized Co-doped ZnO nanoparticles were utilized for the desulfurization of Sulphur containing pollutants such as dibenzothiophene and 2,5-dimethyl thiophene. The results proved that rapid desulfurization was observed during the initial time of the study. The % desulfurization of 14.36±0.136 and 19.63±0.201% was observed within 5 min of the study for dibenzothiophene and 2,5-dimethyl thiophene. Whereas the high % desulfurization was noticed within less time of 25 min wherein the % desulfurization was observed to be 95.61±0.279 and 93.66±0.137 for dibenzothiophene and 2,5-dimethyl thiophene respectively. The removal of harmful heavy metals utilizing the Pistia plant and recycling in the wastewater treatment process may therefore be inferred as being highly valued. Additionally, the Co-doped ZnO photocatalysts might improve photocatalytic activity owing to the catalysts' porosity and the hole recombination and electron suppression.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69405206","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

APPLICATION OF HETEROGENEOUS CATALYST OF Meti SHELLS (Batissa violecea L. von Lamark 1818) IN THE PRODUCTION OF BIODIESEL BASED ON MORINGA SEED OIL 木壳(Batissa violecea L. von Lamark 1818)非均相催化剂在辣木籽油生产生物柴油中的应用

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1616951

Ruslan, J. Hardi, M. Mirzan, Muliana, M. Ganti

引用次数: 0

PHYTOCHEMICALS ANALYSIS AND CYTOTOXIC ACTIVITY OF Lansium domesticum Corr EXTRACT-CISPLATIN COMBINATION AGAINST PANC-1 CELL LINE 国产兰提取物-顺铂联合对PANC-1细胞株的植物化学分析及细胞毒活性

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1617074

M. F. Lubis, P. Hasibuan, V. E. Kaban, R. Astyka

{"title":"PHYTOCHEMICALS ANALYSIS AND CYTOTOXIC ACTIVITY OF Lansium domesticum Corr EXTRACT-CISPLATIN COMBINATION AGAINST PANC-1 CELL LINE","authors":"M. F. Lubis, P. Hasibuan, V. E. Kaban, R. Astyka","doi":"10.31788/rjc.2023.1617074","DOIUrl":"https://doi.org/10.31788/rjc.2023.1617074","url":null,"abstract":"The use of chemotherapy such as cisplatin in treating cancer alone can cause many problems, including side effects and resistance. Therefore, currently, efforts are being made to combine cisplatin with natural ingredients such as ethanol extract from duku leaves. Then extracted using ethanol as a solvent. The secondary metabolites of the extract were identified using LC-MS/MS with mobile phase A (0.1 percent formic acid in water) and phase B (0.1 percent formic acid in acetonitrile). The extract and cisplatin were determined by their IC50 values as the basis for carrying out the combination test using the MTT method. All data obtained were processed with Microsoft Excel and analyzed with SPSS 23. The ethanol extract of duku leaves contains about 15 compounds that cannot be clearly identified because they are not listed in the LC-MS/MS library used. Interestingly, there were 5 compounds that gave a sufficiently large absorption each at a retention time of 1.08; 5.18; 9.45; 9.57; 10.70; and 10.82. Cisplatin has stronger cytotoxic properties than the extract with IC50 values of 3.02±0.05 µg/mL and 28.61±0.13 µg/mL, respectively. The combination of these two substances is synergistic with a combination index <1. the combination of extract and cisplatin at doses of 1.75:0.75 and 1.75:0.375 had very strong synergy with a combination index of 0.01 (p>0.05). However, the mechanism of action of this combination is not yet known clearly, so further research is needed on it.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69409795","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

SQUID PENS MEDIATED SILVER NANOPARTICLES SYNTHESIS, ITS CHARACTERISATION, AND BIOLOGICAL ACTIVITIES 鱿鱼笼介导的纳米银合成、表征及其生物活性

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1618129

V. Ragunathan, Meenambiga Setti Sudharsan, Roshini S.R., Gomathy Sundar, Chithra K.

引用次数: 0

GC-MS AND OPTICAL CHARACTERIZATION, BIOLOGICAL PROPERTY STUDIES OF ETHANOLIC EXTRACT OF KABASURAKUDINEER AND MOLECULAR DOCKING INVESTIGATION OF (E)-3-PHENYL-1-(2, 2, 4- TRIMETHYLQUINOLIN-1-YL) PROP-2-EN-1-ONE kabasurakudineer乙醇提取物的Gc-ms、光学表征、生物学特性研究以及(e)-3-苯基-1-(2,2,4 -三甲基喹啉-1-基)prop-2-en-1-one的分子对接研究

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1628147a

K. Laavanya, B. Manju, D. A. Shirmila, M. Priya, J. Hemalatha, G. Usha

引用次数: 0

GREEN APPROACH FOR THE PREPARATION OF 2-ARYL-1, 3-BENZOXAZOLE DERIVATIVES BY USING Amla Fruit EXTRACT 摘要以阿姆拉果提取物为原料制备2-芳基- 1,3 -苯并恶唑衍生物的绿色方法

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1628174

Shahabaj M. Bagwan, M. Farooqui, M. A. Pathan, Satish M Patil, Mohamad Asif

引用次数: 0

In-vitro ANTI-INFLAMMATORY AND ANTIOXIDANT ACTIVITY OF NOVEL 1-SUBSTITUTED-3-SUBSTITUTED PROPANE-1,3-DIONES (β-DIKETONES) DERIVED FROM VANILLIN 香兰素衍生的新型1-取代-3-取代丙烷-1,3-二酮(β-二酮)的体外抗炎和抗氧化活性

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1618193

Pravin S. Bodkhe, Sushil K. Pagariya, Prafulla P.Chaudhari

引用次数: 0

ONE-POT PREPARATION OF MAGNETIC BIOCHAR FROM DRAGON FRUIT BRANCH FOR CATALYTIC OZONATION OF SUNSET YELLOW 火龙果枝磁性生物炭一锅法催化臭氧氧化日落黄的研究

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI: 10.31788/rjc.2023.1638383

H. Nguyen, H. Nguyen, Tuyet-Mai Tran-Thuy, L. Nguyen, H.H. Lam, D. V. Nguyen

{"title":"ONE-POT PREPARATION OF MAGNETIC BIOCHAR FROM DRAGON FRUIT BRANCH FOR CATALYTIC OZONATION OF SUNSET YELLOW","authors":"H. Nguyen, H. Nguyen, Tuyet-Mai Tran-Thuy, L. Nguyen, H.H. Lam, D. V. Nguyen","doi":"10.31788/rjc.2023.1638383","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638383","url":null,"abstract":"Dragon fruit branches are an abundant and underutilized waste released from the annual pruning of dragon fruit. In this study, dragon fruit branches were used for the first time as a raw material for producing magnetic biochar through one-pot pyrolysis. The results showed that zero-valent iron and magnetite particles were generated in the carbon matrix, providing a saturation magnetization of 5.92 emu/g. Due to FeCl3 activation, magnetic biochar possessed a total pore volume of 0.15 cm3 /g and a specific surface area of 203 m2 /g. Subsequently, magnetic biochar was explored as a catalyst for enhanced ozonation of sunset yellow. 95% of sunset yellow (50 ppm) was treated within 80 min at pH 7.0. From the calculation results using pseudo-first-order kinetics, the sunset yellow decolorization constant was improved by 79% by using the magnetic biochar catalyst compared to ozone alone. Overall, dragon fruit branchderived magnetic biochar is a promising material, especially as a green catalyst, because of its magnetic separability and potential catalytic activity for the treatment of sunset yellow by ozone.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69412204","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: 1