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The role of microwave radiation in extractive desulfurization of real diesel fuel for green environment: an experimental and computational investigation 微波辐射在实际柴油萃取脱硫过程中对绿色环境的作用:实验和计算研究
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-14 DOI: 10.1186/s13065-024-01292-2
Hamida Y. Mostafa, Ghada E. Khedr, Ard Elshifa M. E. Mohamed, Dina M. Abd El-Aty
{"title":"The role of microwave radiation in extractive desulfurization of real diesel fuel for green environment: an experimental and computational investigation","authors":"Hamida Y. Mostafa,&nbsp;Ghada E. Khedr,&nbsp;Ard Elshifa M. E. Mohamed,&nbsp;Dina M. Abd El-Aty","doi":"10.1186/s13065-024-01292-2","DOIUrl":"10.1186/s13065-024-01292-2","url":null,"abstract":"<div><p>The process of removing sulfur compounds and aromatic compounds to produce clean fuel is an important and effective contribution to the processes of mitigating and adapting to climate change. In contrast, it is necessary to find an innovative way to remove sulfur and carcinogenic aromatic compounds because clean, low-sulfur diesel is commonly used in all countries of the world at the present time. Therefore, in this work, we have studied the effect of the microwave radiation power and the irradiation time with the use of more than one type of organic solvent; methanol, acetonitrile and ethyl acetoacetate; as an extractant and solvent to feed ratio impact on the removal of sulfur and aromatic compounds of a real diesel fuel feed which has 450 ppm sulfur content and 16 wt% aromatic Content. The results showed that the best solvent used during this work was ethyl acetoacetate. According to the results, high sulfur removal (≈ 92%) was accomplished with microwave-assisted extractive desulfurization technique under the following ideal conditions: the irradiation time is 7 min, the solvent feed ratio is 3:1 and the microwave intensity is 180 W. To reveal the mechanism of microwave-assisted extractive desulfurization via different organic solvents, a theoretical study including structural examination and interaction energy analysis on the interaction between dibenzothiophene (DBT) or dimethyl dibenzothiophene (DMDBT) and the different organic solvents was also conducted.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01292-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434734","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
Melanin-intercalated layered double hydroxide LDH/MNP as a stable photothermal agent 作为稳定光热剂的黑色素夹层双氢氧化物 LDH/MNP
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-12 DOI: 10.1186/s13065-024-01312-1
Xue Li, Yixuan Wang, Xinkai Geng, Jinghua Sun, Yulong Liu, Anjie Dong, Ruiping Zhang
{"title":"Melanin-intercalated layered double hydroxide LDH/MNP as a stable photothermal agent","authors":"Xue Li,&nbsp;Yixuan Wang,&nbsp;Xinkai Geng,&nbsp;Jinghua Sun,&nbsp;Yulong Liu,&nbsp;Anjie Dong,&nbsp;Ruiping Zhang","doi":"10.1186/s13065-024-01312-1","DOIUrl":"10.1186/s13065-024-01312-1","url":null,"abstract":"<div><p>Melanin nanoparticles (MNPs) are a type of electronegative compound that can be used as photothermal agent for cancer treatment. Nevertheless, the agglomeration of MNP, which is one of the limitations in practice, contributes to the instability of MNP. Pristine layered double hydroxide (LDH), as a kind of positive inorganic material when there exist no other cargo between its layers, can accommodate electronegative molecules between its layers to endow them with stable properties. Hence, in this study, electronegative MNP was intercalated into LDH lamellas via ion-exchange method to obtain the stable original photothermal agent LDH/MNP, solving the tough problem of MNP’s agglomeration. The surface morphology, X-ray diffraction and fourier transform infrared spectra affirmed the successful intercalation of MNP between LDH lamellas. The Z-average particle sizes of LDH/MNP on day 0, 7 and 14 were measured as 221.8 nm, 227.6 nm and 230.5 nm without obvious fluctuation, while the particle sizes of MNP went through dramatic enlargement from 105.8 nm (day 0) to 856.1 nm (day 7), indicating the better stability of LDH/MNP than MNP. The typical polymer dispersity index (PDI) values on day 0, 7 and 14 verified the better stability of LDH/MNP, too. Photothermal properties of LDH/MNP were assessed and the results ensured the representative photothermal properties of LDH/MNP. The fine cytocompatibility of LDH/MNP was verified via cytotoxicity test. Results confirmed that the agglomeration of MNP disappeared after its intercalation into LDH and LDH/MNP possessed fine stability as well as typical photothermal property. The intercalation of MNP into LDH gave the photothermal agent MNP a promising way for its better stability and long-term availability in photothermal treatment.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01312-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142431001","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
Simple simultaneous analysis of various cardiovascular drug mixtures with vincamine: comparative eco-friendly assessment 使用长春胺对各种心血管药物混合物进行简单的同步分析:生态友好型比较评估。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-10 DOI: 10.1186/s13065-024-01303-2
Sara S. Mourad, Magda A. Barary, Amira F. El-Yazbi
{"title":"Simple simultaneous analysis of various cardiovascular drug mixtures with vincamine: comparative eco-friendly assessment","authors":"Sara S. Mourad,&nbsp;Magda A. Barary,&nbsp;Amira F. El-Yazbi","doi":"10.1186/s13065-024-01303-2","DOIUrl":"10.1186/s13065-024-01303-2","url":null,"abstract":"<div><p>The development of two eco-friendly analytical methods for the simultaneous determination of eight cardiovascular drugs; hydrochlorothiazide (HCT), captopril (CPL), lisinopril (LSP), valsartan (VAL), atorvastatin (ATR), bisoprolol (BSL), amlodipine (AML) and carvedilol (CVL); alongside with the nutraceutical vincamine (VIC) is essential for sustainable pharmaceutical analysis. This study explores the application of Micellar Electro Kinetic Chromatography (MEKC) and High-Performance Liquid Chromatography (HPLC) for this purpose. In MEKC method, the separation was done using fused silica capillary (41.5 cm × 50 µm id) and a back ground electrolyte consisting of 50 mM borate buffer (pH 9) containing 50 mM sodium lauryl sulphate (SLS) and 10% organic modifier (Acetonitrile). In HPLC method, separation was performed on a ZORBAX Extend-C18 (4.6 × 250 mm, 5 µm) column, using a gradient mobile phase consisting of 50 mM phosphate buffer pH 3 and methanol. Both methods attained good linearity (r ≥ 0.9996) with low values of LOD and LOQ. Both methods were successfully applied in the determination of co-administered single, binary and ternary dosage form of the studied drugs. Moreover, application of various combinations of co-administered dosage forms was achieved in rat plasma, confirming the applicability of these methods in different matrices. The use of micellar solutions in MEKC enhances separation efficiency while reducing the need for organic solvents, aligning with green chemistry principles. HPLC methods were optimized using environmentally benign solvents, ensuring reduced toxicity and waste production. The methodologies were evaluated through green, white, and blue metrics to ensure comprehensive sustainability, considering ecological impact, safety, and practical efficiency. These methods were not only cost-effective and time-saving but achieved high efficiency, sensitivity, and reproducibility making them ideal for routine use in pharmaceutical analysis.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01303-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142399017","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
Determination of the extremolyte ectoine in plasma and a pharmacokinetic study in rats by a validated and BAGI-evaluated UPLC-MS/MS method 采用经过验证和 BAGI 评估的 UPLC-MS/MS 方法测定血浆中的极性溶解物埃克托因,并对大鼠进行药代动力学研究。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-09 DOI: 10.1186/s13065-024-01300-5
Mahmoud Rabee, Ragab A. M. Said, Ibrahim A. Naguib
{"title":"Determination of the extremolyte ectoine in plasma and a pharmacokinetic study in rats by a validated and BAGI-evaluated UPLC-MS/MS method","authors":"Mahmoud Rabee,&nbsp;Ragab A. M. Said,&nbsp;Ibrahim A. Naguib","doi":"10.1186/s13065-024-01300-5","DOIUrl":"10.1186/s13065-024-01300-5","url":null,"abstract":"<div><p>Ectoine (ECT) has recently gained considerable interest in the healthcare sector due to its promising therapeutic benefits in a variety of human disorders. This research aimed to quantify the ECT plasma level in rats by creating and optimizing a sensitive and validated UPLC-MS/MS method. Prior to analysis, ECT extraction from the plasma samples was conducted via a protein precipitation procedure, using hydroxyectoine as an internal standard (IS). A 1.7 μm UPLC C8 column (100 mm × 2.1 mm) was selected for the chromatographic separation, using a gradient mobile phase consisting of acetonitrile and 0.05% formic acid. The electrospray ionization mass spectrometry (ESI-MS) was used to detect ECT in the positive ion mode. To determine the specific precursor and the product ions of ECT, multiple reaction monitoring (MRM) methods were carried out. The selected ion pair of ECT was 143.1 &gt; 97 and 159.1 &gt; 113.13 for the IS. The ECT’s linearity range in rat plasma was found to be 1-1000 ng/mL, with a recovery rate of 96.48–97.37%. Consistent with FDA guidelines for bio-analytical method validation, the suggested method was validated. The method was efficiently employed to quantify the studied drug in spiked rat plasma with good accuracy and precision with no significant matrix effects. Furthermore, it was effectively used to investigate the pharmacokinetic behavior of ECT in rats after a single oral dose of 30 mg/kg.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01300-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142387049","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
Designing nano-heterostructured nickel doped tin sulfide/tin oxide as binder free electrode material for supercapattery 设计纳米异构掺杂镍硫化锡/氧化锡作为超级电池的无粘结剂电极材料。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-09 DOI: 10.1186/s13065-024-01307-y
Davinder Singh, M. Pershaanaa, N. K. Farhana, Shahid Bashir, K. Ramesh, S. Ramesh
{"title":"Designing nano-heterostructured nickel doped tin sulfide/tin oxide as binder free electrode material for supercapattery","authors":"Davinder Singh,&nbsp;M. Pershaanaa,&nbsp;N. K. Farhana,&nbsp;Shahid Bashir,&nbsp;K. Ramesh,&nbsp;S. Ramesh","doi":"10.1186/s13065-024-01307-y","DOIUrl":"10.1186/s13065-024-01307-y","url":null,"abstract":"<div><p>New generation of electrochemical energy storage devices (EESD) such as supercapattery is being intensively studied as it merges the ideal energy density of batteries and optimal power density of supercapacitors in a single device. A multitude of parameters such as the method of electrodes preparation can affect the performance of supercapattery. In this research, nickel doped tin sulfide /tin oxide (SnS@Ni/SnO<sub>2</sub>) heterostructures were grown directly on the Ni foam and subjected to different calcination temperatures to study their effect on formation, properties, and electrochemical performance through X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and electrochemical tests. The optimized SnS@Ni/SnO<sub>2</sub> electrode achieved a maximum specific capacity of 319 C g<sup>− 1</sup> while activated carbon based capacitive electrode exhibited maximum specific capacitance of 381.19 Fg<sup>− 1</sup>. Besides, capacitive electrodes for the supercapattery were optimized by incorporating different conductive materials such as acetylene black (AB), carbon nanotubes (CNT) and graphene (GR). Assembling these optimized electrodes with the aid of charge balancing equation, the assembled supercapattery was able to achieve outstanding maximum energy density and power density of 36.04 Wh kg<sup>− 1</sup> and 12.48 kW kg<sup>− 1</sup> with capacity retention of 91% over 4,000 charge/discharge cycles.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01307-y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142387048","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
Copper-amino acid/Carboxymethyl starch composite for controllable releasing of povidone-iodine 用于聚维酮碘可控释放的铜-氨基酸/羧甲基淀粉复合材料。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-09 DOI: 10.1186/s13065-024-01290-4
Moataz Morad, Seraj O. Alzahrani, Albandary Almahri, Ibrahim S. S. Alatawi, Kamelah S. Alrashdi, Kholood M. Alkhamis, Hatun H. Alsharief, Nashwa M. El-Metwaly
{"title":"Copper-amino acid/Carboxymethyl starch composite for controllable releasing of povidone-iodine","authors":"Moataz Morad,&nbsp;Seraj O. Alzahrani,&nbsp;Albandary Almahri,&nbsp;Ibrahim S. S. Alatawi,&nbsp;Kamelah S. Alrashdi,&nbsp;Kholood M. Alkhamis,&nbsp;Hatun H. Alsharief,&nbsp;Nashwa M. El-Metwaly","doi":"10.1186/s13065-024-01290-4","DOIUrl":"10.1186/s13065-024-01290-4","url":null,"abstract":"<div><p>Povidone-iodine is identified as one of the widely applicable antiseptic reagents for treatment of skin infection and wound healing. Controllable releasing of povidone-iodine is extensively required for healing of chronic wounds. The release of povidone-iodine was systematically studied from the composites based on carboxymethyl starch (CMS). Currently, different ratios from copper precursor and L-aspartic acid (L-AA) were interacted with CMS to obtain Cu-L-AA@CMS composites. Increment the percentage of L-AA was reflected in clustering of dense masses from the desirable composite with highly crystalline/stable structural network. Regardless to pH conditions, Cu-L-AA(30%)@CMS composite showed the highest efficiency for controllable release of povidone-iodine, whereas, the release percentages were estimated to be 58%, 32% and 18% at pH 5, 7 and 9, respectively. The kinetic results revealed the impossibility of povidone-iodine releasing via diffusion/erosion for further support of the hypothesis of releasing via swelling process. Moreover, the release of povidone-iodine using column technique showed that the lowest release was estimated at using high rate of 6 mL/min. Besides the biocompatibility and biodegradability of the prepared Cu-L-AA@CMS composites, it showed the superiority for controllable release of povidone-iodine antiseptic reagent to regulate its beneficial effect in curing of the skin.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01290-4","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142387047","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
Synergistic inhibition effect of diolefinic dye and silver nanoparticles for carbon steel corrosion in hydrochloric acid solution 二烯烃染料和纳米银粒子对盐酸溶液中碳钢腐蚀的协同抑制作用。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-05 DOI: 10.1186/s13065-024-01298-w
Marwa N. El-Nahass, Tarek A. Fayed, Mohammed M. El-Gamil, Abd El-Aziz S. Fouda
{"title":"Synergistic inhibition effect of diolefinic dye and silver nanoparticles for carbon steel corrosion in hydrochloric acid solution","authors":"Marwa N. El-Nahass,&nbsp;Tarek A. Fayed,&nbsp;Mohammed M. El-Gamil,&nbsp;Abd El-Aziz S. Fouda","doi":"10.1186/s13065-024-01298-w","DOIUrl":"10.1186/s13065-024-01298-w","url":null,"abstract":"<div><p>The current work looks at the inhibitory effects of a diolefinic dye, namely 1,4-bis((E)-2-(3-methyl-2,3-dihydrobenzo[d]thiazol-2-yl) vinyl) benzene iodide salt, in relation to CS corrosion mitigation in hydrochloric acid (HCl) environment. This study uses a variety of experimental methodologies, including weight loss (WL) analysis, electrochemical tests, and theoretical considerations. The synergistic effect of diolefinic dye and AgNPs on the corrosion inhibition of CS in 1 M HCl was investigated. The inhibition efficiency (IE) displays a notable enhancement as the concentration of the dye is elevated and as the temperature raises the IE increases. The diolefinic dye exhibited % IE of 83% even at low concentration (1 × 10<sup>–4</sup> M) whereas 90% in the presence of (2.26 × 10<sup>–10</sup>) AgNPs. Tafel graphs demonstrate that the dye follows a mixed type inhibitor. The adsorption of the dye on CS surface follows Langmuir model. Moreover, the influence of temperature and the activation parameters disclose that diolefinic dye is chemisorbed on the CS surface. The synergistic coefficient of the diolefinic dye and AgNPs under various concentration conditions was greater than unity. The surface morphology of CS sheets was confirmed by scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). Density Functional Theory (DFT) calculations provide theoretical support for the inhibitory effects of the examined dye. Notably, there is a high agreement between the findings of practical studies and theoretical expectations.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01298-w","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142378904","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
SMILES-based QSAR virtual screening to identify potential therapeutics for COVID-19 by targeting 3CLpro and RdRp viral proteins 基于 SMILES 的 QSAR 虚拟筛选,通过靶向 3CLpro 和 RdRp 病毒蛋白确定 COVID-19 的潜在疗法。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-03 DOI: 10.1186/s13065-024-01302-3
Faezeh Bazzi-Allahri, Fereshteh Shiri, Shahin Ahmadi, Alla P. Toropova, Andrey A. Toropov
{"title":"SMILES-based QSAR virtual screening to identify potential therapeutics for COVID-19 by targeting 3CLpro and RdRp viral proteins","authors":"Faezeh Bazzi-Allahri,&nbsp;Fereshteh Shiri,&nbsp;Shahin Ahmadi,&nbsp;Alla P. Toropova,&nbsp;Andrey A. Toropov","doi":"10.1186/s13065-024-01302-3","DOIUrl":"10.1186/s13065-024-01302-3","url":null,"abstract":"<div><p>The COVID-19 pandemic has prompted the medical systems of many countries to develop effective treatments to combat the high rate of infection and death caused by the disease. Within the array of proteins found in SARS-CoV-2, the 3 chymotrypsin-like protease (3CL<sup>pro</sup>) holds significance as it plays a crucial role in cleaving polyprotein peptides into distinct functional nonstructural proteins. Meanwhile, RNA-dependent RNA polymerase (RdRp) takes center stage as the key enzyme tasked with replicating the viral genomic RNA within host cells. These proteins, 3CL<sup>pro</sup> and RdRp, are deemed optimal subjects for QSAR modeling due to their pivotal functions in the viral lifecycle. In this study, SMILES-based QSAR classification models were developed for a dataset of 2377 compounds that were defined as either active or inactive against 3CLpro and RdRp. Pharmacophore (PH4) and QSAR modeling were used for the virtual screening on 60.2 million compounds including ZINC, ChEMBL, Molport, and MCULE databases to identify new potent inhibitors against 3CL<sup>pro</sup> and RdRp. Then, a filter was established based on typical molecular characteristics to identify drug-like molecules. The molecular docking was also performed to evaluate the binding affinity of 156 AND 51 potential inhibitors to 3CL<sup>pro</sup> and RdRp, respectively. Among the 15 hits identified based on molecular docking scores, M3, N2, and N4 were identified as promising inhibitors due to their good synthetic accessibility scores (3.07, 3.11, and 3.29 out of 10 for M3, N2, and N4 respectively). These compounds contain amine functional groups, which are known for their crucial role in the binding interactions between drugs and their targets. Consequently, these hits have been chosen for further biological assay studies to validate their activity. They may represent novel 3CL<sup>pro</sup> and RdRp inhibitors possessing drug-like properties suitable for COVID-19 therapy.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01302-3","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142370576","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
Analysis of binary mixture of oxytetracycline and bromohexine in their combined veterinary formulation by four simple spectrophotometric methods with greenness assessment 用四种简单的分光光度法分析土霉素和溴己新二元混合物的兽药复方制剂,并进行绿色度评估。
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-10-03 DOI: 10.1186/s13065-024-01296-y
Marco M.Z. Sharkawi, Mark T. Safwat, Nada S. Abdelwahab
{"title":"Analysis of binary mixture of oxytetracycline and bromohexine in their combined veterinary formulation by four simple spectrophotometric methods with greenness assessment","authors":"Marco M.Z. Sharkawi,&nbsp;Mark T. Safwat,&nbsp;Nada S. Abdelwahab","doi":"10.1186/s13065-024-01296-y","DOIUrl":"10.1186/s13065-024-01296-y","url":null,"abstract":"<div><p>Tetracyclines family is considered as the first-line antibiotic drugs for food animals. Formulating bromhexine (BR) with oxytetracycline (OTC) improved the antibacterial activity of OTC, besides it is considered as a mucolytic agent. Four precise, rapid, and simple spectrophotometric methods were successfully developed for resolution of the overlapped spectra of OTC and BR in their pure form and in their pharmaceutical formulation. The proposed methods are absorption correction (AC), dual wavelength (DW), induced dual wavelength (IDW), and spectrum subtraction (SS) spectrophotometric methods. The developed methods were used for the determination of OTC and BR in the ranges of 2–50 µg/mL and 1–30 µg/mL, respectively for all methods. For (AC) and (SS) methods, OTC and BR were determined at 380 nm and 245.6 nm, respectively after spectral resolution steps. While for (DW) method, the absorbance difference between λ (271.8 –287.6 nm) and λ (245.6 –283.2 nm) were used for the determination of OTC and BR, in order. For IDW, it depended on using the absorbance difference between 271.8 nm and 245.6 nm as well as the equality factor (F) calculated for each drug at the selected wavelengths. In all methods, HCl was used as a solvent and they are validated according to ICH guidelines. Several green metric tools have been developed to evaluate the greenness of the analytical methods like National Environmental Methods Index (NEMI), Modified NEMI, Analytical Eco-scale, Green Analytical Procedure Index (GAPI) and Analytical GREEnness calculator (AGREE), and all ensured the low impact of the suggested approaches on health and environment. The proposed methods are highly selective, robust and precise. Additionally they are time and money effective and can be used in any analytical laboratory.</p></div>","PeriodicalId":496,"journal":{"name":"BMC Chemistry","volume":"18 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://bmcchem.biomedcentral.com/counter/pdf/10.1186/s13065-024-01296-y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142370575","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
Humin-sulfuric acid as a novel recoverable biocatalyst for pyrrole synthesis in water 作为一种可回收的新型生物催化剂,用于在水中合成吡咯
IF 4.3 2区 化学
BMC Chemistry Pub Date : 2024-09-28 DOI: 10.1186/s13065-024-01269-1
Mandana Armin, Abbas Ali Jafari, Beheshteh Arjmandzadeh
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