BMC Chemistry最新文献

Eco-conscious TLC assay for dual psoriasis drugs in plasma: a green analytical approach. 生态意识薄层色谱法检测血浆中双重银屑病药物：绿色分析方法。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-13 DOI: 10.1186/s13065-025-01531-0

Maimana A Magdy, Basma H Anwar, Nehal F Farid, Nessreen S Abdelhamid

{"title":"Eco-conscious TLC assay for dual psoriasis drugs in plasma: a green analytical approach.","authors":"Maimana A Magdy, Basma H Anwar, Nehal F Farid, Nessreen S Abdelhamid","doi":"10.1186/s13065-025-01531-0","DOIUrl":"https://doi.org/10.1186/s13065-025-01531-0","url":null,"abstract":"Psoriasis is one of the dermatological autoimmune diseases that involve cracking, redness, bleeding and inflammation on the surface of the skin. Sulfasalazine (SUL) is an immunity suppressing and anti-phlogistic drug. Pentoxifylline (PTN) is an immunosuppressant and vasodilator. So, the two drugs are co-administered together in the treatment protocol for psoriasis. No chromatographic analytical method was developed in the literature for the quantitative determination of SUL and PTN in their binary mixture and spiked human plasma. So, this work's goal is to establish an environmentally friendly and selective TLC method for quantitative assay of sulfasalazine and pentoxifylline in their common mixture and spiked human plasma samples. The separation was successfully obtained using a developing system consisting of ethanol: ethyl acetate (7: 3, v/v) and 270 nm as UV scanning wavelength. Paracetamol was chosen as an internal standard to correct sampling minute variations. The obtained retardation factor values were 0.02, 0.43, 0.68 and 0.8 for plasma, pentoxifylline, sulfasalazine and paracetamol, in the same order. The resulting LLOQ for SUL and PTN were 0.3 and 0.2 µg/band, respectively. Three environmental friendliness assessment tools including analytical greenness metric approach (AGREE), eco-scale assessments, and green analytical procedure index (GAPI) were applied to evaluate the environmental safety characters of the suggested method. Validation parameters were within the accepted ranges when checked according to US-FDA guidelines to for bioanalytical method validation.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"166"},"PeriodicalIF":4.3,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12164079/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144293112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phenolic composition, antioxidant, antidiabetic, and cytotoxic activities of fruit of Prunus divaricata L. 李果实酚类成分、抗氧化、抗糖尿病及细胞毒活性研究。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-12 DOI: 10.1186/s13065-025-01539-6

Emine Kılıçkaya Selvi

{"title":"Phenolic composition, antioxidant, antidiabetic, and cytotoxic activities of fruit of Prunus divaricata L.","authors":"Emine Kılıçkaya Selvi","doi":"10.1186/s13065-025-01539-6","DOIUrl":"10.1186/s13065-025-01539-6","url":null,"abstract":"Diabetes mellitus is a global health problem leading to various complications associated with high blood sugar levels. One of the alternative ways to manage the disease in traditional medicine is herbal therapy. Prunus divaricata L has been used in this regard in traditional medicine. The aim of the study was to investigate the antidiabetic, cytotoxic, antioxidant activity and phenolic profile of its fruit extract by spectroscopic and chromatographic methods. The methanol extract exhibited strong activity on DPPH radical scavenging, FRAP and CUPRAC assays, (0.023 mg/mL, 1.02 µmol trolox/mg dry ext, and 5.53 µmol trolox/mg dry ext, respectively). The antidiabetic activity was evaluated on α-glucosidase and α-amylase. The extract showed considerable activity on α-glucosidase (98.64% inhibition at 100 µg/mL). The anticancer potential of extract was evaluated using MCF-7 (ER + breast) cell line. The extract significantly decreased cell viability in MCF-7 cell line at a concentration of 3.2 µg/mL. In parallel to the biological activity tests, phytochemical composition of the extract was also studied. In addition to the qualitative chromatographic analysis, quantification of eight individual compounds was also determined in the extract. Results indicate that methanol extract contained considerable amounts of p-coumaric acid and ferulic acid along with chlorogenic acid, caffeic acid, rutin, quercetin, apigenin and kaempferol. Prunus divaricata L. fruit extract may protect against damage caused by oxidative stress by increasing antioxidant capacity in diabetes.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"165"},"PeriodicalIF":4.3,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12160377/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular structures and in Silico molecular docking of new pyrazine-based heterocycles as antibacterial agents. 新型吡嗪类杂环抗菌剂的分子结构及硅基分子对接。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-11 DOI: 10.1186/s13065-025-01535-w

Mohamed R Elmorsy, Sara H Yousef, Ehab Abdel-Latif, Safa A Badawy

{"title":"Molecular structures and in Silico molecular docking of new pyrazine-based heterocycles as antibacterial agents.","authors":"Mohamed R Elmorsy, Sara H Yousef, Ehab Abdel-Latif, Safa A Badawy","doi":"10.1186/s13065-025-01535-w","DOIUrl":"10.1186/s13065-025-01535-w","url":null,"abstract":"Compound 2-(2-cyanoacetamido)pyrazine (3) serves as a key precursor for synthesizing various new pyrazine-linked heterocycles, including pyridine, thiazole, pyrazole, chromene, and pyrazolotriazine derivatives. Pyrazine-pyridone analogues 5a-d were obtained by reacting compound 3 with substituted 2-(arylidene)malononitriles (4a-d). Substituted pyrazine-thiazoles (8 and 9) were synthesized by condensation with phenyl isothiocyanate, followed by cyclization using ethyl bromoacetate or chloroacetone. Pyrazine-chromenes (14, 15) and pyrazine-naphthoxazines (16, 17) were prepared by reacting salicylaldehyde and naphthol derivatives. Additionally, pyrazine-pyrazolotriazines 19a and 19b were formed by coupling diazotized aminopyrazoles (18a and 18b). The structures of the synthesized compounds were confirmed using IR, 1HNMR, and 13C NMR spectroscopy. Antibacterial activity was evaluated against gram-positive (S. aureus and B. subtilis) and gram-negative (E. coli and K. pneumoniae) bacteria. Notably, compound 5c exhibited strong activity against E. coli (15 mm), and 5d showed potent inhibition against S. aureus (18 mm), comparable to the reference antibiotic gentamicin. Molecular docking studies revealed that pyrazine-pyridone derivative 5d displayed the highest binding affinity (S = -7.4519 kcal/mol, RMSD = 1.2498), attributed to two key interactions: one hydrogen-donor and one π-hydrogen bond with the bacterial target (PDB: 4DUH). These in silico findings suggest that 5d can effectively bind to a critical bacterial enzyme, reinforcing its potential as a promising antibacterial agent. Moreover, the Swiss ADME study provides an in-depth analysis of the drug-like properties and pharmacokinetic attributes of these compounds, further supporting their potential for drug development. Overall, compound 5d was the most promising candidate for further antibacterial drug design and optimization.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"164"},"PeriodicalIF":4.3,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12153137/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144273890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Adsorption and thermodynamic studies of the corrosion Inhibition effect of Desmodium adscendens (Swartz) extract on carbon steel in 2 M HCl. 在2m HCl中对碳钢缓蚀效果的吸附和热力学研究。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-09 DOI: 10.1186/s13065-025-01541-y

Awwal Abdullahi Adamu, Ogunkemi Risikat Agbeke Iyun, James Dama Habila

{"title":"Adsorption and thermodynamic studies of the corrosion Inhibition effect of Desmodium adscendens (Swartz) extract on carbon steel in 2 M HCl.","authors":"Awwal Abdullahi Adamu, Ogunkemi Risikat Agbeke Iyun, James Dama Habila","doi":"10.1186/s13065-025-01541-y","DOIUrl":"10.1186/s13065-025-01541-y","url":null,"abstract":"This study examined the thermodynamic parameters and adsorption mechanism of Desmodium adscendens (Swartz) extract (DAPE) as a corrosion inhibitor for carbon steel in 2.0 M HCl. DAPE's chemical structure was analyzed using FT-IR spectroscopy, while the inhibition efficiency and corrosion rate were determined via gravimetric analysis. Thermodynamic parameters such as activation energy, enthalpy, and entropy changes were calculated using relevant equations. Adsorption isotherms were used to assess Gibbs free energy change. DAPE, according to the FT-IR spectra contained O-H, C = O, C = C, and C-O functional groups, typical of organic corrosion inhibitors. Higher concentrations of DAPE resulted in an increase in activation energy (from 45.36 to 65.26 kJmol- 1) and enthalpy of activation (from 42.61 to 62.51 kJmol- 1), along with a decrease in entropy of activation (from - 0.163 to -0.114 kJmol- 1), indicating the formation of a film barrier through physisorption on the metal surface. Spontaneous adsorption of DAPE was validated by negative ∆Gads values (-19.52 to -20.41 kJmol- 1), and negative ∆Hads (-12.55 kJmol- 1) revealing an exothermic process. The Langmuir isotherm was the most suitable model, with high R2 values (0.9982 to 0.9995) and an equilibrium constant of absorption (Kads) of 32.57 Lg- 1 indicating monolayer adsorption. In addition, DAPE achieved an inhibition efficiency of 87.61%, which demonstrated its promise as a potent and cost effective corrosion inhibitor for carbon steel in acidic environments.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"163"},"PeriodicalIF":4.3,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12147248/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144256995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Catechol-substituted siderophore colistin exhibits superior antimicrobial activity than its unmodified polypeptide counterpart. 儿茶酚取代的铁载体粘菌素比其未修饰的多肽对应物具有更好的抗菌活性。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-09 DOI: 10.1186/s13065-025-01538-7

Sara Bescós-Ramo, Enrique Gámez, María Del Mar Encabo-Berzosa, Milagros Piñol, Luis Oriol, Manuel Arruebo

{"title":"Catechol-substituted siderophore colistin exhibits superior antimicrobial activity than its unmodified polypeptide counterpart.","authors":"Sara Bescós-Ramo, Enrique Gámez, María Del Mar Encabo-Berzosa, Milagros Piñol, Luis Oriol, Manuel Arruebo","doi":"10.1186/s13065-025-01538-7","DOIUrl":"10.1186/s13065-025-01538-7","url":null,"abstract":"Catechol moieties have been covalently coupled to the last-resort polypeptide antibiotic colistin via esterification and amidation reactions, inspired by the superior antimicrobial action of cefiderocol, i.e., a catechol-substituted siderophore cephalosporin. Among the tested strategies, the incorporation of the catechol motif by amidation reduces by 50% the minimum concentration to inhibit the growth of a clinical strain of uropathogenic Escherichia coli (E. coli) in its planktonic form. Its minimum bactericidal concentration is reduced by 25% after chemical modification. The tested modified antibiotic did not show cytotoxicity against human fibroblasts and keratinocytes at bactericidal doses. Additionally, due to the potential nephrotoxicity of colistin, the cytotoxicity of this catechol-substituted siderophore colistin was evaluated in a 3D model of human renal organoids showing no cytotoxicity at the doses tested. The chemical incorporation of catechol groups to existing antibiotics can reduce the doses to exert a fast antimicrobial action reducing the chances to develop antibiotic resistance.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"162"},"PeriodicalIF":4.3,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12147325/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144256996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Novel benzimidazole-1, 3, 4-thiadiazole derivatives as casein kinase-2 inhibitors: synthesis, in vitro and in silico investigations. 新型苯并咪唑- 1,3,4 -噻二唑衍生物酪蛋白激酶-2抑制剂：合成、体外和硅研究。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-09 DOI: 10.1186/s13065-025-01532-z

N Senthilkumar, S Sarveswari, Prafulla Choudhari, Somdatta Chaudhari, Imadul Islam, Yasinalli Tamboli, V Vijayakumar

{"title":"Novel benzimidazole-1, 3, 4-thiadiazole derivatives as casein kinase-2 inhibitors: synthesis, in vitro and in silico investigations.","authors":"N Senthilkumar, S Sarveswari, Prafulla Choudhari, Somdatta Chaudhari, Imadul Islam, Yasinalli Tamboli, V Vijayakumar","doi":"10.1186/s13065-025-01532-z","DOIUrl":"10.1186/s13065-025-01532-z","url":null,"abstract":"A new set of benzimidazole-thiadiazole derivatives has been designed and synthesized using 2-(chloromethyl)-1H-benzo[d]imidazole (1). Compounds 4a-m were achieved by amide bond formation using acid chlorides and pyridine in 1, 2-dichloroethane. The newly synthesized compounds were characterized and subjected to cytotoxicity studies against HeLa cells. Compounds 4c, 4 d, and 4e exhibited good inhibitory activity with IC50 values of 15, 25, and 25 µM, respectively. Molecular docking studies were performed to elucidate the binding interactions of compounds 4c and 4e with human Casein kinase-2 (CK2). Compound 4c exhibited maximum cytotoxicity against HeLa cells with the lowest binding energy values of -8.61 kcal/mol towards CK2. Compound 4c underwent molecular dynamics (MD) simulations to assess their stability and interactions within the active site. Density functional theory (DFT) calculations also provided insights into the synthesised compounds' electronic structure, reactivity, and charge distribution.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"161"},"PeriodicalIF":4.3,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12147251/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144256997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The role of choline-based ionic liquids in modulating the thermophysical properties of d-fructose solutions. 胆碱离子液体在调节d-果糖溶液热物理性质中的作用。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-05 DOI: 10.1186/s13065-025-01491-5

Sara Dorosti, Hemayat Shekaari, Mohammad Bagheri, Fariba Ghaffari, Masumeh Mokhtarpour

{"title":"The role of choline-based ionic liquids in modulating the thermophysical properties of d-fructose solutions.","authors":"Sara Dorosti, Hemayat Shekaari, Mohammad Bagheri, Fariba Ghaffari, Masumeh Mokhtarpour","doi":"10.1186/s13065-025-01491-5","DOIUrl":"10.1186/s13065-025-01491-5","url":null,"abstract":"In order to better understand how choline-based ionic liquids can improve the process of converting sugar to bioethanol, our study examined how d-fructose interacted with aqueous solutions of choline salicylate ([Ch][Sal]), choline formate ([Ch][For]), and choline acetate ([Ch][Ace]). A series of measurements including density, speed of sound, viscosity, and electrical conductivity were performed across varying temperatures and concentrations to assess the physicochemical performance of d-fructose in the studied solutions. The obtained properties including apparent molar volume (Vφ), apparent molar isentropic compressibility (κφ), viscosity B-coefficients, and molar conductivity (Λ) were analyzed to gain insights into the nature of intermolecular interactions. The calculated standard partial molar volume (Vφ0) of d-fructose indicated enhanced interactions between d-fructose and the ionic liquids. Hepler's constant values pointed to a structure-making tendency of d-fructose, particularly in aqueous [Ch][Sal] solutions. To further probe these interactions, DFT-COSMO calculation was employed, revealing that [Ch][Sal] exhibits preferentially the most energetically favorable interactions. Additionally, values of apparent specific volume (ASV) and apparent specific isentropic compressibility (ASIC) suggested that the ILs have a negligible influence on the inherent physical characteristics of d-fructose. As the temprature increased, the hydration number of d-fructose decreased, which can be due to the weakening of hydrogen bonding with water. These results highlight [Ch][Sal] ionic liquid as a promising medium for potentially promoting sugar-to-bioethanol conversion.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"160"},"PeriodicalIF":4.3,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12142968/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144232881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Data-driven discovery of chemical signatures for developing new inhibitors against human influenza viruses. 数据驱动的化学特征发现，用于开发新的人类流感病毒抑制剂。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-05 DOI: 10.1186/s13065-025-01540-z

Levon Kharatyan, Smbat Gevorgyan, Hamlet Khachatryan, Anastasiya Shavina, Astghik Hakobyan, Mher Matevosyan, Hovakim Zakaryan

{"title":"Data-driven discovery of chemical signatures for developing new inhibitors against human influenza viruses.","authors":"Levon Kharatyan, Smbat Gevorgyan, Hamlet Khachatryan, Anastasiya Shavina, Astghik Hakobyan, Mher Matevosyan, Hovakim Zakaryan","doi":"10.1186/s13065-025-01540-z","DOIUrl":"10.1186/s13065-025-01540-z","url":null,"abstract":"This study presents cheminformatics analysis of the antiviral chemical space targeting human influenza A and B viruses. By curating 407,366 small molecules from ChEMBL and PubChem, we evaluated physicochemical properties, structural motifs, and activity trends across phenotypic and target-based assays. We found that 90.6% of evaluated molecules met Lipinski's Rule of Five, with active compounds exhibiting higher topological polar surface area and hydrogen bond donor groups. Target-specific analyses revealed distinct profiles for neuraminidase (NA) and hemagglutinin (HA) inhibitors, including larger molecular weights and increased rotatable bonds. Structural characterization identified cyclohexene, dihydropyran, and pyrimidine rings as prevalent in highly active molecules, while phthalimide motifs correlated with inactivity. Clustering of phenotypic assay data highlighted four promising and unique antiviral candidates, with unexplored chemical space. We also identified five multi-target scaffolds, including the curcumin-like scaffold, demonstrating dual inhibitory potential against two viral proteins. Molecular docking experiments on molecules within one of these multi-target scaffolds indicated their potential as initial hit candidates. Combined RMSD, PDF and DCCM analyses across molecular dynamics simulations elucidated the binding behaviour of five curcumin-like candidates. Two ligands remained as stable as the reference antivirals, one showed target-specific loss of affinity, and two dissociated rapidly, indicating that the stable pair should be prioritised for subsequent in vitro validation. Overall, the findings of this study can aid computer-aided drug design efforts, contributing to the development of novel antiviral agents against human influenza viruses.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"159"},"PeriodicalIF":4.3,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12139104/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144232880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solubility of 5-nitroisophthalic acid in pseudo-binary mixtures containing water and betaine-based deep eutectic solvents: effect of benzene ring substituents in the benzene carboxylic acid-based compounds on their solubility values. 5-硝基间苯二甲酸在含有水和甜菜碱的深度共晶溶剂的伪二元混合物中的溶解度：苯羧酸基化合物中苯环取代基对其溶解度值的影响

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-03 DOI: 10.1186/s13065-025-01533-y

Parisa Jafari, Mohammad Barzegar-Jalali, Salar Hemmati, Abolghasem Jouyban

{"title":"Solubility of 5-nitroisophthalic acid in pseudo-binary mixtures containing water and betaine-based deep eutectic solvents: effect of benzene ring substituents in the benzene carboxylic acid-based compounds on their solubility values.","authors":"Parisa Jafari, Mohammad Barzegar-Jalali, Salar Hemmati, Abolghasem Jouyban","doi":"10.1186/s13065-025-01533-y","DOIUrl":"10.1186/s13065-025-01533-y","url":null,"abstract":"This work aimed to report the equilibrium solubility of 5-nitroisophthalic acid (5-NIPA) in solvent mixtures of betaine/propylene glycol (Bet/PG) deep eutectic solvent (DES) (1:5 molar ratio) + water, betaine/ethylene glycol (Bet/EG) DES (1:3 molar ratio) + water, betaine/glycerol (Bet/Gly) DES (1:3 molar ratio) at 293.15 K to 313.15 K. At the same temperature and mass fraction of DESs, the mole fraction solubility of 5-NIPA was greater in Bet/PG DES + water than the other systems which explained in terms of solute-solvent interactions by comparing Hansen solubility parameters of 5-NIPA and DESs or water. The effect of benzene ring substituents in the benzene carboxylic acid-based compounds including salicylic acid, 5-aminosalyciclic acid, isophthalic acid and 5-NIPA were examined by comparing each solubility data in the same Bet-based DESs + water mixtures. The outcomes revealed that salicylic acid with one hydroxyl functional group placed in the meta position relative to the carboxylic acid functional group on the benzene ring had the highest solubility in compared with the other compounds. In addition, the solubility of 5-NIPA was mathematically modelled by commonly used cosolvency models achieving average relative deviations lower than 25.7%. Finally, an endothermic process with an enthalpy as a main contributor of the Gibbs energy in the mixtures was determined via thermodynamic analysis of 5-NIPA dissolution process according to the modified van't Hoff equation.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"157"},"PeriodicalIF":4.3,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12131636/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ultrasound-assisted extraction, enrichment, and hypolipidemic potential of triterpenes from Grifola frondosa mycelia. 灰树花菌丝体中三萜的超声辅助提取、富集及降血脂潜能研究。

IF 4.3 2区化学

BMC Chemistry Pub Date : 2025-06-03 DOI: 10.1186/s13065-025-01514-1

Chenmeng Wan, Zijian Tong, Jialing Yang, Ruxin Tao, Ziteng Zhao, Mukaddas Sai, Xinyu Meng, Ke'er Xiao, Qiaoyu Wang, Hongxia Ma, Linna Du

{"title":"Ultrasound-assisted extraction, enrichment, and hypolipidemic potential of triterpenes from Grifola frondosa mycelia.","authors":"Chenmeng Wan, Zijian Tong, Jialing Yang, Ruxin Tao, Ziteng Zhao, Mukaddas Sai, Xinyu Meng, Ke'er Xiao, Qiaoyu Wang, Hongxia Ma, Linna Du","doi":"10.1186/s13065-025-01514-1","DOIUrl":"10.1186/s13065-025-01514-1","url":null,"abstract":"Triterpenes (GFTs) are the main secondary metabolites of Grifola frondosa, which is a famous porous fungus with multiple biological actions. To enhance the yield of GFTs, the parameters for ultrasound-assisted extraction (UAE) of GFTs were first optimized. As a result, the highest amount of GFTs (25.44 mg/g) was achieved under the optimized parameters (ultrasound time, 55.4 min; ultrasonic power, 135 W; temperature, 40 ℃; ethanol concentration, 90.4%; solid-liquid ratio, 1:45 g·mL-1). Then, different comparative analyses, including extraction kinetics and scanning electron microscopy detection, were carried out between UAE and traditional maceration extraction, and the data suggest that ultrasound treatment is beneficial for the dissolution of target products from the mycelia. Furthermore, AB-8 resins followed by silica gel column chromatography were employed to purify the GFTs, and three purified fractions (Fr1, Fr2, and Fr3) were acquired. A total of 4, 12, and 15 triterpenoids were identified in Fr1, Fr2, and Fr3, respectively, using ultra-performance liquid chromatography and tandem mass spectrometry. Additionally, the three purified fractions, especially Fr2, exhibited remarkable hypolipidemic activities in vitro. In conclusion, the triterpenes with hypolipidemic potential were purified from G. frondosa, and these findings would be beneficial for promoting the utilization of these triterpenes.","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"19 1","pages":"158"},"PeriodicalIF":4.3,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12131554/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0