Results in Chemistry最新文献

{"title":"A chalcone/quinolone hybrid drug (COQM) triggers oxidative stress, DNA damage, and apoptosis to induce selective antiproliferative effects in breast cancer cells","authors":"Jun-Ping Shiau ,&nbsp;Wangta Liu ,&nbsp;Chih-Hua Tseng ,&nbsp;Min-Yu Lee ,&nbsp;Cheng-Yao Yang ,&nbsp;Yu-Ning Wang ,&nbsp;Hsueh-Wei Chang","doi":"10.1016/j.rechem.2025.102268","DOIUrl":"10.1016/j.rechem.2025.102268","url":null,"abstract":"<div><div>COQM is a newly developed hybrid compound of chalcone and quinolone, both of which are known to have anticancer and anti-inflammatory abilities. However, the anticancer effect of COQM on breast cancer cells is not yet well understood, and its safety has not been fully investigated. In this study, we investigated the anticancer ability and mechanism of COQM against triple-negative breast cancer cells (TNBC; HCC1937) and non-TNBC cells (SKBR-3) compared with normal breast cells (H184B5F5/M10 (M10)). We found that COQM-treated breast cancer cells exhibited less proliferation, more subG1 accumulation and apoptosis (annexin V), and an increased activation of apoptotic signaling regulators, such as caspases 3, 8, and 9, compared with normal cells. These effects were attenuated by <em>N</em>-acetylcysteine (NAC) pretreatment, suggesting that these anti-breast cancer mechanisms are mediated by oxidative stress. COQM-induced oxidative stress responses were further confirmed by flow cytometry, which revealed a greater generation of reactive oxygen species and mitochondrial superoxide and lower mitochondrial membrane potential and glutathione, in breast cancer than normal cells, attenuated by NAC. Similarly, COQM exhibits greater oxidative stress-dependent DNA damages for γH2AX and 8-hydroxy-2-deoxyguanosine in breast cancer than normal cells, as confirmed via NAC. In brief, we found that COQM exerted anti-breast cancer effects and oxidative stress-mediated mechanisms, and caused minimal damage to normal cells.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102268"},"PeriodicalIF":2.5,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143867818","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":"Comparison of the adsorption behavior of melphalan anti-cancer drug on MgS nano-cage: A DFT study","authors":"Shahnaz Azari Gharelar ,&nbsp;Shiva Masoudi ,&nbsp;Nasrin Masnabadi ,&nbsp;Mohammad Hadi Ghasemi","doi":"10.1016/j.rechem.2025.102273","DOIUrl":"10.1016/j.rechem.2025.102273","url":null,"abstract":"<div><div>The adsorption behavior of melphalan anti-cancer drug on the MgS nano-cage surface was investigated using DFT and TD-DFT methods by B3LYP/6-31G(d) level of theory. From the obtained adsorption energies of MEL/MgS complexes (I-III), it was determined that the adsorption process is exothermic. The electrical conductivity of the MgS nanocage significantly increased in three complexes. Therefore, it can be used to generate electronic noise in the presence of MEL drug. The working functions of the most stable complex systems will be affected by the adsorption of the target drug. MgS nanocage is a ϕ-type sensor that can be active in the detection of MEL drug. Adsorption process of MEL on MgS nanocage as well as the structural changes after adsorption were studied by UV/Vis absorption, NCI and QTAIM analyses. The wavelength shift towards higher wavelengths in the electronic spectra of MEL/MgS complex indicates the binding and adsorption of MEL drug on MgS nanocage. To investigate the interaction mechanism between drug and adsorbent and also the changes in the properties of MEL drug and MgS nanocages, the geometric parameters, dipole moment, frontier molecular orbitals (FMO), and density of states (DOS), electron location function (ELF) and local orbital locator (LOL) were analyzed. Based on the studies conducted in this study, it can be argued that MgS nanocages with suitable electronic and structural properties can be considered as promising drug sensors for the drug MEL.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102273"},"PeriodicalIF":2.5,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876500","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":"Design, synthesis of imidazole scaffolds as an effective larvicidal agent against Etiella zinkenella and in vitro antibacterial and antifungal evaluation against Candida albicans with DFT calculations, molecular docking technique and theoretical biological potential","authors":"Ankita M. Rayate ,&nbsp;Manoj R. Gaware ,&nbsp;Dnyaneshwar D. Lokhande ,&nbsp;Amol H. Kategaonkar ,&nbsp;Arun M. Bhagare ,&nbsp;Bharat N. Shelke ,&nbsp;Avinash S. Kale ,&nbsp;Sapana S. Bhamare","doi":"10.1016/j.rechem.2025.102259","DOIUrl":"10.1016/j.rechem.2025.102259","url":null,"abstract":"<div><div>In this paper we have reported synthesis evaluation imidazole by solvent free multi component scaffolds (NEAT Reaction) by simple and very effective protocol. The characterization of compounds by ¹H NMR, ¹³C NMR, Mass and IR spectral studies confirms the structure. The theoretical interpretations of compounds is optimized by 6–311++G (d,p) basic set for employing different parameters using Gaussion-09 software. The antimicrobial activity associated with all the imidazole derivatives showed mild activity towards <em>E. coli</em>, <em>S. typhi</em> and <em>Staphylococcus aureus</em> while good microbial activity against <em>P.vulgaris.</em> The compounds showed promising antifungal activity against <em>Candida albicans.</em> The bioactivity against <em>Etiella zinkenella</em> was evaluated. Significant results were obtained with notable larvicidal activity having Lethal concentration (LC₅₀) = 0.38 ppm associated with compound <strong>6a</strong> with concentration ranging between 0.02‐and 0.08 ppm. Molecular docking of imidazole compounds were done to study the protein interaction and enzyme inhibitor activity. Docking analysis was performed using Autodoc Vina and visualized in Pymol software compound. The study suggested that compound <strong>6d</strong> and <strong>6e</strong> showed good bonding affinity to an enzyme exhibiting highest affinity (binding energy = −6.5 to 6.8 kcal/mol) with protein (4MCT) of <em>P.vulgaris</em> organism. Excellent affinity with binding energy −6.1 kcal/mol with protein (5AEZ) is associated with <em>Candida albicans</em> for compound <strong>6b</strong>, <strong>6c</strong>, <strong>6e</strong> and <strong>6</strong> <strong>f</strong>. The PASS analysis is web-based application used predict the biological activity spectrum of a compound based on structure. It is useful to estimate the probable biological activity profile. The PASS analysis shows that compound <strong>6b</strong> shows high activity for Antieczematic and Gluconate 2-dehydrogenase (acceptor) inhibitor (Pa &gt; 0.07).</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102259"},"PeriodicalIF":2.5,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855230","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":"Simulation and optimization of a modified salt extractive distillation process for the production of anhydrous ethanol","authors":"Manish Kumar Yadav ,&nbsp;Saumya Agarwal ,&nbsp;Shilpi Verma ,&nbsp;Vimal Chandra Srivastava ,&nbsp;Urška Lavrenčič Štangar ,&nbsp;Praveen Kumar","doi":"10.1016/j.rechem.2025.102267","DOIUrl":"10.1016/j.rechem.2025.102267","url":null,"abstract":"<div><div>Producing anhydrous ethanol through ethanol dehydration is challenging due to the formation of an ethanol-water azeotrope. Traditional methods use carcinogenic liquid separating agents like benzene to break this azeotrope. This study introduces a modified salt extractive distillation technique using soluble calcium chloride to produce anhydrous ethanol more safely and efficiently. We conducted simulations and optimizations of this new method, with columns operating under 80 % flooding conditions. This process demonstrated an effective energy consumption of 5.25 MJ per kg of ethanol, significantly lower than traditional methods. The innovative approach uses minimal calcium chloride and operates at reduced reflux flow rates, leading to smaller column diameters. Moreover, the energy needed for recovering the salt solution is just 4.4 % of the total energy consumption. Comparisons with existing literature show that our method's energy use is the lowest reported, marking a significant advancement in eco-friendly ethanol production.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102267"},"PeriodicalIF":2.5,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143867819","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":"Based on bimetallic FeCo MOFs electrochemical sensor with a low detection limit for trace copper ions detection","authors":"Ruiying Zhu ,&nbsp;Lifeng Ding ,&nbsp;Qiang Li ,&nbsp;Hongmei Dong ,&nbsp;Mengjie Shi ,&nbsp;Zhengwei Song ,&nbsp;Shengling Li ,&nbsp;Hao Chen ,&nbsp;Jiahang Zhang","doi":"10.1016/j.rechem.2025.102266","DOIUrl":"10.1016/j.rechem.2025.102266","url":null,"abstract":"<div><div>Environmental contamination by heavy metal ions poses significant health risks, emphasizing the urgent need for effective detection methods. In the work, it develops a bimetallic Fe<img>Co MOFs electrochemical sensor for trace copper ions detection in water, using a NaOH-mediated synthesis to modify MOFs materials. Iron ion doping introduces a bimetallic site, significantly enhancing the conductivity of the original ZIF-67. The addition of reduced graphene oxide (RGO) further improves conductivity due to its folded structure, which facilitates greater MOF deposition on the electrode surface. Additionally, the incorporation of Nafion enhances the stability of the MOF in aqueous environments. Sensitivity tests show effective detection of Cu²⁺ in the concentration range of 0.01–1 μM, with a LOD of 6.54 nM. And the sensor has exceptional stability, reproducibility, and interference resistance. The sensor demonstrated successful application in detecting Cu²⁺ in water samples, showing potential for broader applications in monitoring other heavy metal ions in environmental water samples.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102266"},"PeriodicalIF":2.5,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835093","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":"Design, synthesis and molecular docking of novel 4-chloro-2-(4-(4-(sulfonyl)piperazin-1-yl)phenyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one for the evaluation anti-cancer activity","authors":"Narender Reddy Modugu ,&nbsp;Rajashekar Reddy Nimmareddy ,&nbsp;Bhimcharan Maiti ,&nbsp;Kavitha Siddoju","doi":"10.1016/j.rechem.2025.102264","DOIUrl":"10.1016/j.rechem.2025.102264","url":null,"abstract":"<div><div>A series of novel 4-chloro-2-(4-(4-(sulfonyl)piperazin-1-yl)phenyl)-2,3-dihydro-1H-pyrrolo[3,4-<em>c</em>]pyridin-1-one derivatives (<strong>9a-n</strong>) were rationally designed, synthesized, and evaluated for their anticancer activity against MCF-7 and A-549 cancer cell lines. The synthesis followed a stepwise approach involving crucial steps such as cyclization, esterification, reduction, benzylic bromination, Boc-protection, and the final formation of the target compounds. In vitro cytotoxicity assays revealed that six compounds (<strong>9a</strong>, <strong>9b</strong>, <strong>9d</strong>, <strong>9f</strong>, <strong>9g</strong>, and <strong>9n</strong>) exhibited significant potency compared to the reference drug doxorubicin. Notably, compound 9a showed exceptional activity with IC₅₀ values of 23.1 μM and 10.6 μM against A-549 and MCF-7 cells, respectively. Molecular docking studies were performed against EGFR tyrosine kinase (PDB: <span><span>4HJO</span><svg><path></path></svg></span>) and estrogen receptor (PDB: <span><span>1ERR</span><svg><path></path></svg></span>) to elucidate potential mechanisms of action. Compounds <strong>9a</strong> and <strong>9f</strong> demonstrated strong binding affinities with docking scores of 11.25 and 11.21 kcal/mol, respectively, against EGFR, and 10.41 and 10.29 kcal/mol, respectively, against estrogen receptor. A structure-activity relationship analysis revealed that electron-withdrawing and hydrophobic substituents enhanced cytotoxic efficacy. In silico ADME and toxicity predictions indicated that all compounds met Lipinski's rule of five, suggesting good oral bioavailability. These findings highlight the potential of these novel piperazinyl-pyridinone derivatives as promising anticancer agents targeting EGFR and estrogen receptor pathways. Further in vivo validation and mechanistic studies are warranted to establish their clinical relevance and optimize their pharmacological properties.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102264"},"PeriodicalIF":2.5,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855231","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 of new organic-inorganic hybride of Kit-6-NH2@Vanillin@α-methyleneacetophenone@ acridine-Cu(ꟾ) as a recoverable Lewis acid catalyst and its application for the synthesis of azoacridines","authors":"Leila Zare Fekri ,&nbsp;Mohammad Nikpassand ,&nbsp;Mogharab Torabi","doi":"10.1016/j.rechem.2025.102258","DOIUrl":"10.1016/j.rechem.2025.102258","url":null,"abstract":"<div><div>Kit-6-NH₂@Vanillin@ α-methyleneacetophenone @ acridine-Cu (ꟾ) nanoparticles were synthesized and were characterized completely. Then, the application of this new nano catalyst for the preparation of azo-derived dihydropyridines (acridines) via the treatment between dimedone, aldehydes, and 4-aminoazobenzene was investigated. The procedure proceeded in suitable yield and good reaction speed. Easy preparation of the catalyst, simple isolation and use of solvent-free condition are the main advantages of the protocol. The nanocatalyst can be reused for nine reaction cycles with no notable decrease in catalytic efficiency.</div></div><div><h3>Background</h3><div>1,4-Dihydropyridine (DHP) derivatives are used in medicines and other products. After Hantsch method for the synthesis of DHPs, various modifications were carried out on this method such as using different catalysts in refluxing solvent, under ultrasound irradiation, microwave condition, and solvent-free procedure. These methods suffer from many problems such as: use of complex reagents, high consumption of solvent, long time and in some cases low reaction efficiency. While some methods work well, it is important to find a better catalyst for making 1,4-DHPs.</div></div><div><h3>Method</h3><div>1 mmol of 4-aminoazobenzene, 1 mmol of aldehyde, 2 mmol of dimedone and 0.05 g of catalyst were mixed and was stirred at room temperature. The reaction progress was controlled by TLC (4:1 Ethylacetate:n-hexane). After required reaction time monitored by TLC, 10 mL of hot EtOH was added to mixture. The catalyst was separated by filtration and reused for successive run.</div></div><div><h3>Key finding</h3><div>This is the first report for the synthesis of azo-linked dihydropyridines using Kit-6-NH₂@Vanillin@α-methyleneacetophenone@ acridine-Cu(I). Shorter reaction time and higher yield rather than most of reported methods are two major benefits of this work. The reaction was carried out under solvent-free condition and there is no need to use organic and hazardous solvents in this procedure. The reaction was carried out at room temperature that need no heating and it is based on green chemistry rules because is energy-economical.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102258"},"PeriodicalIF":2.5,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850554","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":"Micellization and surface properties of Triton X 100 in aqueous solution of short-chain alcohols","authors":"Sujit Kumar Shah ,&nbsp;Rojer M. Leblanc ,&nbsp;Ajaya Bhattarai","doi":"10.1016/j.rechem.2025.102262","DOIUrl":"10.1016/j.rechem.2025.102262","url":null,"abstract":"<div><div>This study investigates the micellization and surface properties of nonionic surfactant Triton X-100 (TX100) in binary water-alcohol mixtures containing methanol (MeOH), ethanol (EtOH), and 1-propanol (1-PrOH) at 293.15 K. Binary mixtures with alcohol volume fractions (<span><math><mi>VF</mi></math></span>) of 0.10, 0.20, 0.30, 0.40 and 0.50 were prepared. Surface tension measurements were carried out to determine the critical micelle concentration (<span><math><mi>CMC</mi></math></span>) and surface properties, including maximum surface excess concentration (<span><math><msub><mi>Γ</mi><mi>max</mi></msub></math></span>), minimum area per molecule (<span><math><msub><mi>A</mi><mi>min</mi></msub></math></span>), surface pressure (<span><math><msub><mi>π</mi><mi>cmc</mi></msub></math></span>) Gibbs free energy of adsorption (<span><math><mi>Δ</mi><msubsup><mi>G</mi><mi>ads</mi><mi>o</mi></msubsup></math></span>) and Gibbs free energy of micellization (<span><math><mi>Δ</mi><msubsup><mi>G</mi><mi>m</mi><mi>o</mi></msubsup></math></span>). The results show that alcohol addition significantly influences micellization and interfacial behavior. <span><math><mi>CMC</mi></math></span> increased with increasing <span><math><mi>VF</mi></math></span> of alcohol, reflecting reduced hydrophobic interactions and a decline in polarity of medium. Above 0.30 <span><math><mi>VF</mi></math></span> of EtOH and 0.20 <span><math><mi>VF</mi></math></span> of 1-PrOH, formation of micelle ceases, indicating suppressed micellization due to extensive disturbance of water's hydrogen-bonding network, reduced cohesive energy density (<span><math><mi>CED</mi></math></span>), and dominance of alcohol-surfactant interactions. Surface properties reveal a decline in <span><math><msub><mi>Γ</mi><mi>max</mi></msub></math></span> and <span><math><msub><mi>π</mi><mi>cmc</mi></msub></math></span>, alongside an increase in <span><math><msub><mi>A</mi><mi>min</mi></msub></math></span> conforming reduce adsorption efficiency. Thermodynamic analysis shows that both <span><math><mi>Δ</mi><msubsup><mi>G</mi><mi>m</mi><mi>o</mi></msubsup></math></span> and <span><math><mi>Δ</mi><msubsup><mi>G</mi><mi>ads</mi><mi>o</mi></msubsup></math></span> becomes less negative with increasing alcohol content, indicating unfavorable micelle formation and adsorption. These findings suggest that solvent parameters, such as the Gordon Parameter (<span><math><mi>GP</mi></math></span>) and <span><math><mi>CED</mi></math></span> play a critical role in modulating surfactant behavior in mixed solvent systems.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102262"},"PeriodicalIF":2.5,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829487","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":"Thermochromic biofilm from longkong peels for temperature sensors","authors":"Panupong Jaiban ,&nbsp;Napawan In-on ,&nbsp;Benjamaporn Injay ,&nbsp;Punnanan Arunroj ,&nbsp;Pharida Homket ,&nbsp;Anucha Watcharapasorn","doi":"10.1016/j.rechem.2025.102263","DOIUrl":"10.1016/j.rechem.2025.102263","url":null,"abstract":"<div><div>The biofilm from longkong peels was fabricated. Thermochromic pigments were added to biofilms. The FITR spectra confirmed all biofilms. The films responded to different temperatures. The R-biofilm changed from color to transparent at ∼35 °C to 42 °C. The RB-biofilm and B-biofilm changed from color to transparent ∼37 °C to 42 °C. All films were soluble in water. The result here promoted the potential for agricultural waste usage in temperature response.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102263"},"PeriodicalIF":2.5,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844871","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 of various pyrimidines and fused pyrimidines derivatives by telescopic reactions","authors":"Manish M. Katiya ,&nbsp;Madhukar G. Dhonde ,&nbsp;Kapil S. Ganorkar ,&nbsp;Jayant M. Gajbhiye","doi":"10.1016/j.rechem.2025.102261","DOIUrl":"10.1016/j.rechem.2025.102261","url":null,"abstract":"<div><div>The synthesis of Pyrimidines and fused pyrimidines derivatives via multicomponent telescopic reactions provide a very efficient and eco-friendly method of organic synthesis. The current protocol is a one-pot reaction between barbiturates, aromatic aldehydes, hydrazine hydrate, phenyl isothiocyanate, and isoniazid under mild stirring at room temperature. The telescopic approach minimizes reaction time, avoids waste, and streamlines operational complexity with complete conformity to the dictates of green chemistry. Intere- stingly, the reaction is performed in a green matrix, and the obtained compounds are further optimized through Density functional theory calculations at the B3LYP/6-31G (d, p) level to find their physical parameters. This approach not only increases efficiency but also highlights the promise of telescopic reactions in sustainable synthetic chemistry.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"15 ","pages":"Article 102261"},"PeriodicalIF":2.5,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848497","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}