Results in Chemistry最新文献

{"title":"Comparative analysis using UPLC and UV methods for concurrent quantification of therapeutic drugs for overactive bladder: Effective approach in green and white chemistry","authors":"Asma S. Al-Wasidi ,&nbsp;Mahmoud A. Mohamed ,&nbsp;Hoda A. Ahmed ,&nbsp;Manal A. Almalki ,&nbsp;Alaa A. Ahmed-Anwar","doi":"10.1016/j.rechem.2024.101899","DOIUrl":"10.1016/j.rechem.2024.101899","url":null,"abstract":"<div><div>This study evaluates the analysis of Mirabegron (MIR) and Solifenacin (SOL), widely used for treating overactive bladder (OAB), using two direct UPLC and spectrophotometric techniques. These methods were developed to be environmentally friendly, utilizing AGREE, GAPI, AGREEprep, ComplexGAPI, AMGS, ESA, HPLC-EAT, AMVI, and BAGI tools. Spectrophotometry, including the first derivative ratio spectrophotometric method (¹DD), measures SOL and MIR at 224.8 nm and 258.6 nm, respectively. A method known as the extended ratio subtraction method (EXRSM) is used to resolve the overlap between the SOL and MIR. In this method, the binary mixture spectrum is divided by the divisor. A constant value is subtracted from the plateau region. MIR and SOL at λmax of 248.9 nm and 229.8 nm have a zero-order (D⁰) after being multiplied by a divisor. The MCR technique has successfully addressed the issue of spectral overlaps for SOL and MIR at 218.5 and 249.7 nm wavelengths. The second method, UPLC densitometry, separates pharmaceuticals using a UPLC C18 1.7 µm (2.1 × 50 mm) column with Ethanol: phosphate buffer pH 4.2 (35:65 v/v) mobile phase at a 0.6 ml/min flow rate, detecting drugs at 210 nm. Calibration curves for both techniques showed a correlation coefficient greater than 0.999 for SOL and MIR in the 1–65 µg mL⁻¹, 1–60 µg mL⁻¹, and 5–25 µg mL⁻¹, respectively. The methods were validated according to International Conference on Harmonization (ICH) principles. These techniques offer cost-effective, eco-friendly alternatives to traditional methods, promoting sustainability in analytical chemistry.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101899"},"PeriodicalIF":2.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular structures and optical properties of Schiff bases derived from pyrrole alkyl ketones and 1-aminophethalazine: DFT calculations","authors":"Vahideh Hadigheh Rezvan ,&nbsp;Samaneh Barani Pour ,&nbsp;Jaber Jahanbin Sardroodi","doi":"10.1016/j.rechem.2024.101907","DOIUrl":"10.1016/j.rechem.2024.101907","url":null,"abstract":"<div><div>The density functional theory (DFT) method at the B3LYP/6-311++G (2d, 2p) level was used to compute the optimized structures of 1-aminophethalazine (<strong>I</strong>) derived Schiff bases of pyrrole alkyl ketones (<strong>II</strong>). In these Schiff bases (<strong>III</strong>, <strong>IV</strong>) each of the C<img>N bonds has two geometrical isomers (<em>E</em> and <em>Z</em>). The relative stability of these isomers has been calculated. Based on the optimized structures dipole moments, optical properties, UV–visible analysis, and frontier orbitals of these Schiff bases were computed. The values of electron density (ρ), Laplacian (∇2ρ), and potential energy density (V(r)) at the critical points (BCPs) of the carbon–nitrogen double bond (C<img>N) and intramolecular interaction were investigated. This is the first reported case of the molecular structures and optical characteristics of these Schiff bases using DFT calculations. The findings showed that these compounds had an almost identical magnitude of β value for <em>p</em>-nitroaniline, indicating good nonlinear optical characteristics.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101907"},"PeriodicalIF":2.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An overview of the most used synthetic pathways of 1,2,4-triazolo[1,5-a]pyrimidines","authors":"Mohamed N. Zedan ,&nbsp;Mai E. Shoman ,&nbsp;Mohamed Abdel-Aziz ,&nbsp;Hamdy M. Abdel-Rahman","doi":"10.1016/j.rechem.2024.101903","DOIUrl":"10.1016/j.rechem.2024.101903","url":null,"abstract":"<div><div>Among the all possible isomers of triazolopyrimidines, 1,2,4-triazolo[1,5-<em>a</em>]pyrimidines are the most important isomers owing to their vast activities in agriculture and medicinal chemistry. Herein, we present an overview of the most used synthetic pathways of this scaffold to assist researchers design new drug molecules with expected pharmacological activities</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101903"},"PeriodicalIF":2.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142698735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Utilization of molasses Wastewater for enzymatic fermentation in bioethanol production and residual glucose recovery","authors":"Ni Ketut Sari ,&nbsp;Erwan Adi Saputro ,&nbsp;Dira Ernawati ,&nbsp;Wahyu Dwi Lestari ,&nbsp;Komang Nickita Sari ,&nbsp;Mohammad Tauviqirrahman ,&nbsp;Muhammad Imam Ammarullah","doi":"10.1016/j.rechem.2024.101898","DOIUrl":"10.1016/j.rechem.2024.101898","url":null,"abstract":"<div><div>Molasses liquid waste (MLW) is a byproduct of the bioethanol production process from sugar cane molasses, typically containing approximately 10 % v/v glucose. This study investigates the use of enzymatic fermentation with turbo yeast to enhance bioethanol production from MLW while minimizing fermentation time. Various volumes of MLW, ranging from 500 to 2500 mL, were pretreated to remove impurities and then stirred for 30 min prior to fermentation. Fermentation was carried out using turbo yeast concentrations of 2 to 6 % v/v over durations of 4 to 12 days, with the pH maintained at 4.5 to achieve a bioethanol content of 21.92 % v/v. Optimization of the fermentation process was performed using Response Surface Methodology (RSM). Results indicated that an optimized condition of 3 % v/v turbo yeast and an 8-day fermentation period yielded the highest bioethanol content while minimizing residual glucose to approximately 2.04 % v/v. These findings provide valuable insights for optimizing fermentation parameters to maximize bioethanol yield from MLW.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101898"},"PeriodicalIF":2.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and molecular modelling of new donor-π-acceptor benzothiazole-carbazole-pyridine-based fluorescent chromophore","authors":"Khlood S. Abou-Melha","doi":"10.1016/j.rechem.2024.101904","DOIUrl":"10.1016/j.rechem.2024.101904","url":null,"abstract":"<div><div>The targeted benzothiazole-carbazole-pyridine dye (<strong>ThCzPy</strong>) was synthesized using a synthetic approach completed by the condensation of 6-(benzothiazol-2-yl)-3-formyl-9-hexyl-9<em>H</em>-carbazole (<strong>4</strong>) with 4-aminopyridine (<strong>5</strong>). The absorption and emission spectra of the chromophore <strong>ThCzPy</strong>, in DMSO, displayed good Stokes’ shift (<span><math><mrow><mi>Δ</mi><mover><mrow><mi>ν</mi></mrow><mrow><mo>¯</mo></mrow></mover></mrow></math></span> = 4653 cm⁻¹). The DFT configuration of the frontier molecular orbits in gas and solvated ground state (S_o) were compared to the solvated excited state (S₁). Furthermore, the new chromophore’s antimicrobial efficacy was evaluated as minimum inhibitory concentration (MIC) against a panel of Gram’s positive, negative, and fungi using ampicillin and fluconazole as reference drugs, where it exhibited comparable activity. The SwissADME study revealed that <strong>ThCzPy</strong> has a bioavailability score 0.55 and meets Lipinski’s criteria for drug similarity.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101904"},"PeriodicalIF":2.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, Synthesis, Characterization and antibacterial activity of new 1,2,3-triazole linked nucleosides","authors":"Aditya Aggarwal ,&nbsp;Vikram Poria ,&nbsp;Surender Singh ,&nbsp;Vinod Kumar ,&nbsp;Surender Kumar","doi":"10.1016/j.rechem.2024.101901","DOIUrl":"10.1016/j.rechem.2024.101901","url":null,"abstract":"<div><div>Sixteen new 1-aryl-1,2,3-triazole linked nucleosides (<strong>7a-7i, 8a-8 g)</strong> were designed and synthesized by using Copper (I)-catalysed Huisgen-Sharpless-Meldal 1,3-dipolar cycloaddition reaction of propargylated nucleoside with substituted fluoro aryl azides in good yields. All compounds (<strong>7a-7i, 8a-8 g</strong>) were characterized by analysis their ¹H NMR, ¹³C NMR, 2D-NMR and mass spectral data. Compounds were screened in vitro for their antibacterial activity against <em>Xanthomonas citri pv. malvacearum</em>, <em>Ralstonia solanacearum</em>, <em>Bacillus siamensis</em> and <em>Pseudomonas aeruginosa</em>. All the synthesized compounds exhibited antibacterial potential against four bacterial strains in the range of 0.318 mm to 3.596 mm. On the basis of zone of inhibition, potential of compounds against bacteria was assessed by determining the MIC value of three compounds. The results indicated that three compounds <strong>7f, 7 g</strong> and <strong>8f</strong> were found effective even at minimal concentration of 2 µg/ml. Therefore development of such type of new antibacterial agents is the need of time in order to overcome the problem of resistance and modification may lead to the development of new antibacterial agents.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101901"},"PeriodicalIF":2.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green method production of ZnO nanoparticles using the weed Ageratum conyzoides and their antibacterial potential","authors":"Sanjay Kumar ,&nbsp;Virendra Kumar ,&nbsp;Manoj Kumar Bansal ,&nbsp;Arvind Mishra","doi":"10.1016/j.rechem.2024.101909","DOIUrl":"10.1016/j.rechem.2024.101909","url":null,"abstract":"<div><div>In recent years, studies involving or relating to nanoparticles have increased substantially in various fields like medicine, agriculture, the food industry, cosmetics, electronics, environmental remediation, etc. ZnO nanoparticles are well known to have antibacterial, antimicrobial, antioxidant, and anticancer properties which are helpful in various ailments. Green route synthesis of ZnO nanoparticles using <em>Ageratum conyzoides</em> and their antibacterial potential have been reported for the first time in this study. The waste-free and inexpensive green method incorporates the use of plant extract of weed species <em>Ageratum conyzoides</em> (Billy goat weed) as reducing agent along with zinc sulfate heptahydrate (ZnSO₄.7H₂O) salt solution as precursor for synthesizing nanoparticles of ZnO.</div><div>Various techniques like UV- Spectroscopy, FTIR, Scanning Electron Microscopy, are utilized for the analysis of nanopraticles using <em>Ageratum conyzoides</em>. SEM analysis predicted that the shape and size of <em>Ageratum conyzoides</em> synthesized nanoparticles are spherical in shape and having size 60–70 nm. UV study indicates that the nano particles are synthesized properly. Zinc oxide nanoparticles synthesized utilizing weed <em>Ageratum conyzoides</em> exhibited significant antibacterial effects against Gram positive <em>Bacillus</em> spp. and gram negative <em>Pseudomonas</em> spp. and <em>Escherichia coli</em> bacteria.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101909"},"PeriodicalIF":2.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of vortex assisted-supramolecular based micro-extraction for analysis of malachite green in water samples","authors":"Tahereh Sarhadi,&nbsp;Mashaallah Rahmani","doi":"10.1016/j.rechem.2024.101905","DOIUrl":"10.1016/j.rechem.2024.101905","url":null,"abstract":"<div><div>A quick, efficient, and environmentally friendly vortex-assisted supramolecular-based micro-extraction technique was assayed and used to analyze hazardous malachite green (MG) in water samples. To ensure maximum sensitivity and accuracy, key parameters influencing the process were optimized, improving the extraction process of malachite green. The optimal conditions for accurate measurement were established as follows: a time of vortex of 9 min, a dosage salt of 4.3 % w/v, a solution pH of 3.4, and 280 μL of extraction solvent. Under these conditions, the quadratic model demonstrated high precision with an adjusted R² of 0.9996. The validation test illustrates a 1.23 % to 2.61 % error, which confirms the acceptability and effectiveness of the proposed method. The method showed excellent efficiency, with extraction recovery exceeding 97 %, highlighting its potential for analyzing samples. The calibration curve was found to be linear across the 10–500 ng mL⁻¹ range with a limit of detection of 2.4 ng mL⁻¹. Evaluations of various samples using this method confirmed its accuracy and yielded satisfactory extraction efficiencies.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101905"},"PeriodicalIF":2.5,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142699713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anti-corrosive efficiency of salvadora persica plant stick powder on SS 316L orthodontic wire in artificial saliva","authors":"H.Mohamed Kasim Sheit ,&nbsp;K.S. Mohan ,&nbsp;P. Srinivasan ,&nbsp;S.Esakki Muthu ,&nbsp;A. Dinesh ,&nbsp;B. Rajeswari ,&nbsp;L. Srimathi Priya ,&nbsp;Lalitha Gnanasekaran ,&nbsp;Munawar Iqbal","doi":"10.1016/j.rechem.2024.101894","DOIUrl":"10.1016/j.rechem.2024.101894","url":null,"abstract":"<div><div>The efficacy of stainless steel 316L (SS 316L) orthodontic wire in mitigating corrosion within artificial saliva was scrutinized both in the presence and absence of Salvadora persica (SP) stick powder, employing electrochemical methodologies. Potentiodynamic polarization assessments demonstrated a notable cathodic shift in the corrosion potential of SS 316L upon the introduction of SP extract, which signifies a reduction in anodic dissolution rates. A marked enhancement in linear polarization resistance was recorded, corresponding to a diminished corrosion current density, thereby evidencing substantial corrosion mitigation. Data obtained from electrochemical impedance spectroscopy corroborated these observations, revealing an augmentation in impedance and charge transfer resistance alongside a reduction in double-layer capacitance, indicative of suppressed charge transfer at the SS 316L/electrolyte interface. Open-circuit potential (OCP) metrics demonstrated that the system incorporating SP presented more negative values relative to the control, reinforcing the inhibitory effect exerted by the constituents of SP. UV–Visible and FTIR spectral analyses substantiated the existence of bioactive compounds within SP powder, with minor shifts in spectral bands noted on the SS 316L surface subsequent to immersion, suggesting adsorption of SP constituents. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) imaging of SS 316L specimens exposed to SP-enhanced artificial saliva exhibited diminished surface degradation in comparison to the control samples. These findings imply that constituents of SP, characterized by polar functional groups (e.g., O, N, and S), engage with SS 316L ions, thereby facilitating the formation of a protective layer and augmenting corrosion resistance. This investigation underscores the prospective application of Salvadora persica in prolonging the durability of SS 316L orthodontic devices utilized within an oral milieu.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101894"},"PeriodicalIF":2.5,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of prodelphinidin B2 3,3′′-digallate using AgOTf-mediated self-condensation","authors":"Hana Saito ,&nbsp;Yoriko Takahashi ,&nbsp;Atsushi Kawamura ,&nbsp;Hidefumi Makabe","doi":"10.1016/j.rechem.2024.101902","DOIUrl":"10.1016/j.rechem.2024.101902","url":null,"abstract":"<div><div>The Lewis acid mediated self-condensation of an epigallocatechin gallate derivative was examined. We found that AgOTf as a Lewis acid and diethylene glycol as a leaving group at C-4 position afforded a dimeric epigallocatechin gallate derivative in a moderate yield. The condensed product was applied to the synthesis of prodelphinidin B2 3,3′′-digallate.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101902"},"PeriodicalIF":2.5,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142661139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}