Rasayan Journal of Chemistry最新文献

{"title":"SYNTHESIS AND CHARACTERIZATION OF BENZOXAZINE: URETHANE COPOLYMER FROM VANILLIN WITH ADAMANTANE SIDE CHAIN AND ITS ANTICORROSIVE COATING ON MILD STEEL","authors":"K. Jayanthi, M. Sivaraju","doi":"10.31788/rjc.2023.1628362","DOIUrl":"https://doi.org/10.31788/rjc.2023.1628362","url":null,"abstract":"Corrosion is a significant issue with metallic materials, notably in steel due to its extensive use in a variety of industries. Benzoxazine polymers have been used to produce anti-corrosive compounds that have a remarkable ability to limit corrosion. In the same ink line, we have explored a new approach with a very hydrophobic benzoxazine monomer which is co-polymerized with urethane, and its characterization was studied with IR, UV, and NMR techniques. The corrosion resistance of the same is investigated using Tafel polarization and EIS experiment methodologies. The DFT and MEP studies explain the reactivity towards the anti-corrosive properties of the monomer.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69411708","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}

{"title":"A PHOTOCURABLE METHOD FOR COPPER(II) OXIDEDOPED POLYANILINE CONDUCTING POLYMER MEMBRANE SYNTHESIS","authors":"S. Wulandari, U. Alizar, U.K. Nizar, I. M. Isa, A.B. Norlaili, Yulkifli, Ramli, L. Tan","doi":"10.31788/rjc.2023.1638301","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638301","url":null,"abstract":"The development of conductive polyaniline (PANI) membrane doped with copper(II) oxide (CuO) by means of the photopolymerization method has been successfully carried out. The photocurable PANI polymeric material was synthesized by mixing 0.011 g of aniline monomer with 0.016 g of ethylene glycol dimethacrylate (EGDMA) crosslinker, 0.021 g of dimethoxy phenylacetophenone (DMPP) photoinitiator and 0.026 g of CuO dopant. The electrical conductivity analysis showed that the as-synthesized CuO-doped PANI (PANI/CuO) film possessed an optimum electrical conductivity value of 39.81×10 -3 S cm -1 at the dopant loading of 0.011 g CuO. Chemical elucidation by using Fourier-transform infrared spectroscopy (FTIR) revealed that the PANI/CuO conducting material with several main functional groups e.g., N-H, C-H, C-N, C=C, C=N, C-O and C=O chemical bonds were identified. Meanwhile, optical characterization of the resulting PANI/CuO membrane by using UV–vis diffuse reflectance spectrophotometer (DR/UV-vis) showed that PANI underwent electron transition π-π* (C=C) at a wavelength of 324 nm, and band gap values of 2.35 eV, 1.33 eV, 1.39 eV, 1.42 eV, 1.42 eV, and 1.50 eV for PANI, PANI/CuO 0.011 g, PANI/CuO 0.016 g, PANI/CuO 0.021 g, PANI/CuO 0.026 g, and CuO, respectively.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69412148","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}

{"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":null,"pages":null},"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}

{"title":"EXPLORATION OF COPPER-BASED COORDINATION POLYMER AS CATALYST: HIGH YIELD OXIDATIVE COUPLING OF BENZYLAMINE TO IMINE","authors":"Aieshri Swargiary","doi":"10.31788/rjc.2023.1638350","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638350","url":null,"abstract":"Benzylamine to imine conversion through oxidative coupling reaction has been achieved with almost 91% yield under very mild conditions by applying a one-dimensional coordination polymer as a catalyst and tert-butyl hydroperoxide (TBHP) as an oxidizing agent. The 1D-coordination polymer, [{Cu2(2,3-pydc)2(2,2ʹ-bpy) (H2O)2}.4H2O]n(A) has been re-synthesized by different synthetic process using the ligands 2,3- pyridinedicarboxylic acid (2,3-pydc) and 2,2Ꞌ-bipyridine (2,2Ꞌ-bpy) and it has been characterized by utilizing different physicochemical techniques such as IR-spectroscopy, UV-Vis spectroscopy, elemental analysis and TGDTA analysis including reestablishment of X-ray single crystal structure. The proposed mechanism of the reaction indicates that the catalytic reaction is facilitated by a flexible and coordinatively unsaturated Cu(II) center and through the formation of tert-butyl peroxy radical.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69412560","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}

{"title":"COORDINATION BEHAVIOUR AND COMPUTATIONAL STUDIES OF 3-FORMYL CHROMONE N(4)-METHYL-N(4)- PHENYLTHIOSEMICARBAZONE AND ITS TRANSITION METAL COMPLEXES","authors":"K. Sangeetha, K. K. Aravindakshan","doi":"10.31788/rjc.2023.1638352","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638352","url":null,"abstract":"This article reports on the 3-formylchromone N(4)-substituted thiosemicarbazone’s coordination behavior towards transition metal ions. CHNS analysis, magnetic moment, thermal analysis, IR, UV, NMR, and EPR spectroscopy were used to characterize the compounds. Moreover, DFT, insilico ADME, and docking studies of the ligand were done. Based on the spectral results, copper, cobalt, and nickel complexes had square planar geometry. Conversely, the manganese complex has octahedral geometry. The Gaussian 09 program is utilized for DFT studies. The GLIDE program was used for docking calculations. As receptor molecules, histone deacetylase, ribonucleotide reductase, and DNA methyltransferase were chosen. The SwissADME tool was used to evaluate the pharmacokinetics of the ligand. Based on Lipinski's rules, the estimation of insilico ADMET discovered that ligands procure significant drug-likeness characteristics. Its ability to block histone deacetylase 8 (PDB ID 1T69) protein is shown by docking calculations, and its proper action can be further confirmed in wet lab tests.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69412575","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}

{"title":"UTILIZATION OF THE POLYMER INCLUSION MEMBRANE METHOD FOR PHENOL TRANSPORT USING CO-EDVB 8% AS A CARRIER","authors":"A.A. Kiswandono, None A. Rahmawati, None N.R. Oktalina, None A.V. Sindiani, None Nurhasanah, None W.T. Utama, None R.A. Lusiana, None Suharso, None Rinawati","doi":"10.31788/rjc.2023.1638392","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638392","url":null,"abstract":"To separate and purify organic contaminants, the employment of liquid membrane technology based on the Polymer Inclusion Membrane (PIM) technique is a major alternative. This technology has been extensively employed on an industrial, hospital","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135594427","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}

{"title":"GEOCHEMICAL INVESTIGATION OF HOT SPRINGS IN THE BUR NI GEUREUDONG GEOTHERMAL PROSPECT AREA, ACEH-INDONESIA","authors":"D. R. Putri, None N. Ismail, None R. Idroes, None M. Marwan, None S. Rizal, S. N. Abdulmadjid, G. M. Idroes, T. R. Noviandy, None A. Lala, None M. Yusuf, None M. Muslem, None R. Suhendra, None M. Yanis, None D. B. Dharma","doi":"10.31788/rjc.2023.1638430","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638430","url":null,"abstract":"The Bur Ni Geureudong volcanic complex is a potential area for geothermal development and utility. This volcanic complex is situated in northern Sumatra, Aceh Province, Indonesia. Geothermal potential in this area is manifested by several hot springs discharged in the Pinto Rime Gayo (PRG), Simpang Balek (SB), Uning Bertih (UB), and Silih Nara (SN) springs. All springs have a neutral pH and a surface temperature ranges from 34.10 to 67.11ºC. A geochemical investigation was conducted on the hot springs to understand the hydrochemistry of the geothermal fluid and estimate the reservoir temperature of the geothermal area. This investigation was an exploration study of geothermal resources in the area. Hot waters in the PRG, SB, UB, and SN springs were collected and analyzed in May 2018 to identify the cations and anions contained. Piper and Cl-SO 4 -HCO 3 diagrams have been plotted to characterize the geothermal fluid. Na/K geothermometer has been applied to calculate the temperature of the geothermal reservoir. Isotope analysis has also been conducted to estimate the origin of the fluid. This research discovered that the major element of the water demonstrates the various geothermal water types. The PRG spring contains Na-K-Cl water, whereas the SN spring contains diluted Cl-HCO 3 water with mixed cation concentrations of Ca, Mg, Na, and K. The waters in SB and UB are a mixed form of Cl-HCO 3 -SO 4 waters. According to the δD and δ 18 O relationship , t he genesis of geothermal fluids is hydrothermal fluids of meteoric water. Based on the Na/K geothermometer, the reservoir temperature of the Bur Ni Geureudong geothermal system is a range of 171-289ºC which is indicated as a high enthalpy system (>225ºC). It can be concluded the Bur Ni Geureudong geothermal region is recognized by this study as a promising source of renewable energy. Future work on geothermal exploration and utilization is expected to expand on the framework established by this present study.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135594894","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}

{"title":"SYNTHESIS, CHARACTERIZATION AND ANTIOXIDANT SCREENING OF 5-{[(E)-(2-HYDROXYPHENYL) METHYLIDENE]AMINO}-2-BENZOFURAN-1(3H)-ONE AND ITS METAL COMPLEX","authors":"None Y. Venkatarao, None P. Parthiban","doi":"10.31788/rjc.2023.1638503","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638503","url":null,"abstract":"Schiff base and its metal complex are biologically potential molecules, and as a consequence, we synthesized a model ligand 5-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-benzofuran-1(3H)-one (1)","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135595956","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}

{"title":"ANTIBACTERIAL POTENTIAL OF BENZIMIDAZOLE CONTAINING HYBRID DERIVATIVES","authors":"None Suvaiv, Kuldeep Singh, Praveen Kumar, Syed Misbahul Hasan, Shom Prakash Kushwaha, Arun Kumar, Syed Mehdi Hasan Zaidi, Shubham Kumar Maurya","doi":"10.31788/rjc.2023.1638382","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638382","url":null,"abstract":"A wide range of bacterial infections are mitigated with antibiotics, however, repeated infections produced by importunate bacteria are obstructing effective treatment. Furthermore, the resistance of bacteria to the existing antibiotics is a significant and vexing problem of the day. The hybrid pharmacophore structural modification concept is now widely used to develop new medications with synergistic activity or increased medication efficacy. This review looks at the benzimidazole hybrids that have evolved in the last two decades and have probable antibacterial action. Structure-activity relationship and study of molecular interaction are also examined to locate the course for the intent and expansion of benzimidazole hybrids by means of good pharmacokinetic and pharmacodynamic profiles. Based on the findings, it can be inferred that such hybrids that have substitution on both ring benzimidazole, as well as other heterocyclic rings, have better antibacterial potential rather than the hybrids that have substitution only on a single ring. Findings also indicate the crucial positions for substitution to have maximum antibacterial potential. The antibacterial activity not only depends on the substitution of rings but also depends on the attachment of the linker group between two rings. Resulting, it is thought worthwhile to synthesize novel benzimidazole hybrids having appropriate linkers and substituents with the goal of having potent bactericidal activity.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136257356","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}

{"title":"SYNTHESIS AND SPECTRAL CHARACTERIZATION OF HIGH-PERFORMANCE SUPERCAPACITOR ZIF-67@rGO NANOCOMPOSITE ELECTRODE MATERIALS","authors":"S. Antony Sakthi","doi":"10.31788/rjc.2023.1638206","DOIUrl":"https://doi.org/10.31788/rjc.2023.1638206","url":null,"abstract":"Over the past two decades, graphite (GO) and reduced graphene oxide (rGO) two-dimensional materials have been found to be very valuable applied materials. Graphene acts as an electron transfer agent and performs well as an electrode material in supercapacitors. However, mass production of graphene remains a major challenge. According to this research paper, naturally occurring graphite from the earth is refined and re-extracted. Hummer's method was used to prepare graphene oxide from well-purified flake graphite with the addition of both H 2 SO 4 as a guest and KMnO 4 as an oxidizing agent. Recently, ZIF-67@rGO nanocomposites have been widely used due to their high surface area, uniform porosity, and relatively high thermal and chemical stability.When comparing graphite and graphene oxide, graphene oxide spacing distance is much more than graphite. It is well known that graphene oxide contains a large number of oxygen-containing functional groups due to graphite oxidation. Another common feature of rGO is that fold-like structures are observed on both the surface and edges of rGO. Also,ZIF-67@rGO nanocomposite was prepared by mixing equal amounts of crystalline ZIF-67 and very fine rGO powder using a simple hydrothermal and stirring method. Such instruments FT-IR, XRD, UV, and SEM have been used to characterize the consequences of these factors on the structure and attribute of GO, rGO, and ZIF-67@rGO. In general, looking at the results and properties of rGO/ZIF-67 air gel, it is confirmed that this nanocomposite material is an alternative composition for use as an electrode material for electrodes in symmetric supercapacitor storage devices.","PeriodicalId":21063,"journal":{"name":"Rasayan Journal of Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136303323","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}