Frontiers in Chemistry最新文献_第5页

Synthesis of BODIPY-pyrrolo[3,4-b]pyridin-5-ones via Ugi-Zhu/cascade reactions and studies of fluorescence response toward viscosity. 通过乌基-朱/级联反应合成 BODIPY-吡咯并[3,4-b]吡啶-5-酮并研究荧光对粘度的响应。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-18 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1488933

Julio C Flores-Reyes, Annia Galano, Sandra M Rojas-Montoya, Luis Blancarte-Carrazco, Elba Xochitiotzi-Flores, Héctor García-Ortega, Norberto Farfán, Alejandro Islas-Jácome, Eduardo González-Zamora

{"title":"Synthesis of BODIPY-pyrrolo[3,4-b]pyridin-5-ones via Ugi-Zhu/cascade reactions and studies of fluorescence response toward viscosity.","authors":"Julio C Flores-Reyes, Annia Galano, Sandra M Rojas-Montoya, Luis Blancarte-Carrazco, Elba Xochitiotzi-Flores, Héctor García-Ortega, Norberto Farfán, Alejandro Islas-Jácome, Eduardo González-Zamora","doi":"10.3389/fchem.2024.1488933","DOIUrl":"10.3389/fchem.2024.1488933","url":null,"abstract":"A series of seven new meso-phenyl BODIPY-pyrrolo[3,4-b]pyridin-5-one conjugates were synthesized in one experimental step by using a Sc(III)-catalyzed Ugi-Zhu three-component reaction coupled to a cascade sequence (aza Diels-Alder/N-acylation/aromatization) as post-MCR functionalization process. Further experimental studies were performed behind understanding the fluorescence response toward viscosity. All compounds exhibited a linear response between increasing viscosity (DMSO and glycerol mixtures) and fluorescence intensity. The different substituents also influenced the photophysical properties. Furthermore, in DMSO all compounds exhibited dual emission. Each band is attributed to the pyrrolo[3,4-b]pyridin-5-one and BODIPY moieties, respectively. The electronic structure of all compounds was computed by DFT and TD-DFT calculations, allowing to determine the molecular orbitals involved in the electronic transitions.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1488933"},"PeriodicalIF":3.8,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11527740/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567938","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Selective and fast oxidation of alcohol to aldehyde using novel catalytic deep eutectic solvent surfactants. 使用新型催化深共晶溶剂表面活性剂选择性快速氧化酒精为醛。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-18 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1416825

Bahareh Shokr Chalaki, Najmedin Azizi, Zohreh Mirjafary, Hamid Saeidian

{"title":"Selective and fast oxidation of alcohol to aldehyde using novel catalytic deep eutectic solvent surfactants.","authors":"Bahareh Shokr Chalaki, Najmedin Azizi, Zohreh Mirjafary, Hamid Saeidian","doi":"10.3389/fchem.2024.1416825","DOIUrl":"10.3389/fchem.2024.1416825","url":null,"abstract":"Deep eutectic solvent (DES) has been considered as a useful catalyst and reaction medium for various organic transformations. Herein, we report the catalytic application of novel deep eutectic solvent- based surfactant (DES surfactant) for the selective and fast oxidation of alcohols to aldehydes. The readily accessible DES surfactants (FeCl3/BHDC) was prepared using inexpensive ferric chloride (FeCl3) and benzyl hexadecyl dimethyl ammonium chloride in a simple manner. The synthesized FeCl3/BHDC was characterized using various techniques, including, FTIR spectroscopy, thermal gravimetric analysis (TGA), scanning electron microscopy (SEM), and energy- dispersive X-ray spectroscopy (EDS) to determine its structure. The catalytic activity of FeCl3/BHDC in the selective oxidation of various alcohols to corresponding aldehyde derivative was investigated. The results showed the reaction could be completed within very short reaction times ranging from 2 to 15 min, while achieving good to excellent yields. This protocol offers a facile strategy and excellent efficiency in selectively oxidizing various alcohol derivatives to their respective aldehydes and ketones, utilizing hydrogen peroxide in the presence of catalytic DES surfactant.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1416825"},"PeriodicalIF":3.8,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11527706/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567936","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Advances in machine learning-enhanced nanozymes. 机器学习增强型纳米酶的进展。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-17 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1483986

Yeong-Seo Park, Byeong Uk Park, Hee-Jae Jeon

{"title":"Advances in machine learning-enhanced nanozymes.","authors":"Yeong-Seo Park, Byeong Uk Park, Hee-Jae Jeon","doi":"10.3389/fchem.2024.1483986","DOIUrl":"10.3389/fchem.2024.1483986","url":null,"abstract":"Nanozymes, synthetic nanomaterials that mimic the catalytic functions of natural enzymes, have emerged as transformative technologies for biosensing, diagnostics, and environmental monitoring. Since their introduction, nanozymes have rapidly evolved with significant advancements in their design and applications, particularly through the integration of machine learning (ML). Machine learning (ML) has optimized nanozyme efficiency by predicting ideal size, shape, and surface chemistry, reducing experimental time and resources. This review explores the rapid advancements in nanozyme technology, highlighting the role of ML in improving performance across various bioapplications, including real-time monitoring and the development of chemiluminescent, electrochemical and colorimetric sensors. We discuss the evolution of different types of nanozymes, their catalytic mechanisms, and the impact of ML on their property optimization. Furthermore, this review addresses challenges related to data quality, scalability, and standardization, while highlighting future directions for ML-driven nanozyme development. By examining recent innovations, this review highlights the potential of combining nanozymes with ML to drive the development of next-generation diagnostic and detection technologies.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1483986"},"PeriodicalIF":3.8,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11524833/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142557529","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

CO₂ capture technology based on gas hydrate method: a review. 基于气体水合物法的二氧化碳捕获技术：综述。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-17 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1448881

Jialing Pei, Jinger Chen, Jingxue Wang, Zhi Li, Nan Li, Jingyu Kan

{"title":"CO2 capture technology based on gas hydrate method: a review.","authors":"Jialing Pei, Jinger Chen, Jingxue Wang, Zhi Li, Nan Li, Jingyu Kan","doi":"10.3389/fchem.2024.1448881","DOIUrl":"10.3389/fchem.2024.1448881","url":null,"abstract":"At present, the problem of global warming is becoming increasingly serious, and one of the main culprits is the increasing amount of carbon dioxide emissions. Although the traditional carbon capture technologies can reduce the concentration of CO2 in the atmosphere, it has a series of problems such as high energy consumption, high cost, low efficiency or unfriendly environment. Hydrate-based carbon dioxide separation are considered to be a technology with great application and development prospects. Compared with the traditional method of carbon dioxide separation, the hydrate method has the advantages of simple process, low energy consumption and environmental friendliness. This review introduces the advantages of hydrate method compared with traditional carbon capture technologies, expounds the theory of carbon dioxide capture by hydrate, and the strengthening and improvement techniques of hydrate method, including thermodynamic promoter, kinetic promoter and mechanical reinforcement, and introduces the practical application of hydrate method in various fields.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1448881"},"PeriodicalIF":3.8,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11524834/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142557530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Dynamics of optical properties of sequentially diluted lucigenin aqueous solutions according to luminescence data. 根据发光数据研究依次稀释的荧光素水溶液的光学特性动态。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-16 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1439250

Dmitrii L Tytik, Viktor I Kuzmin, Olga V Souvorova, Alexandra A Revina

{"title":"Dynamics of optical properties of sequentially diluted lucigenin aqueous solutions according to luminescence data.","authors":"Dmitrii L Tytik, Viktor I Kuzmin, Olga V Souvorova, Alexandra A Revina","doi":"10.3389/fchem.2024.1439250","DOIUrl":"10.3389/fchem.2024.1439250","url":null,"abstract":"The article discusses optical properties (luminescence) of diluted (24 dilution factor) lucigenin (Lc) aqueous solutions. Six series of Lc aqueous solutions, with 50 samples in each series, were studied. The series were diluted on different days within random schedules, following a unified procedure: the first sample in all the series was the Lc (C Lc = 8.2 × 10-7 mol/L) stock solution, while the rest of the samples were obtained by successive dilution with the ratio of 24. For the first three samples, the Lc luminescence intensity decrease appropriately complied with the exponential function model (the dilution ratio: none for the stock solution, for the second and the third, 24 and 24 × 24 = 242, respectively). Starting from the fourth sample for statistical processing of luminescence data, the seven largest values were selected from the built rank distribution of emission intensity values. This method helps eliminate the influence of \"random large bounces\" when calculating the correlation coefficient. Up to the 50th studied sample, a challenging linear gradual decrease in the intensity of recorded photometric values was noted (correlation coefficients for all series being close to -0.9). Similar analysis of six reference series of pure water \"dilution\" samples did not exhibit any correlation between the highest emission values in the studied wavelength range (specific for Lc bandwidth, 480-505 nm) and the sample's dilution number. It can be assumed that photometric values, recorded in the series of Lc sequentially diluted aqueous solutions after substance (Lc) elimination (theoretically expected after the 13th sample within the used experimental setup), could be attributed to the gradual destruction of long-lived aqueous structures formed in the process of hydration of Lc molecules during its dissolution.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1439250"},"PeriodicalIF":3.8,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11521942/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142544684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Synthesis and antibacterial potential of novel thymol derivatives against methicillin-resistant Staphylococcus aureus and P. aeruginosa pathogenic bacteria. 新型百里酚衍生物的合成及其对耐甲氧西林金黄色葡萄球菌和绿脓杆菌的抗菌潜力。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-16 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1482852

Ashutosh Shahi, Rakshit Manhas, Srija Bhattacharya, Arti Rathore, Puneet Kumar, Jayanta Samanta, Manish Kumar Sharma, Avisek Mahapa, Prasoon Gupta, Jasha Momo H Anal

{"title":"Synthesis and antibacterial potential of novel thymol derivatives against methicillin-resistant Staphylococcus aureus and P. aeruginosa pathogenic bacteria.","authors":"Ashutosh Shahi, Rakshit Manhas, Srija Bhattacharya, Arti Rathore, Puneet Kumar, Jayanta Samanta, Manish Kumar Sharma, Avisek Mahapa, Prasoon Gupta, Jasha Momo H Anal","doi":"10.3389/fchem.2024.1482852","DOIUrl":"10.3389/fchem.2024.1482852","url":null,"abstract":"The increasing threat of antibiotic resistance has created an urgent need for new antibacterial agents, particularly plant-based natural compounds and their derivatives. Thymol, a natural monoterpenoid phenolic compound derived from Monarda citriodora, is known for its aromatic and therapeutic properties, including antibacterial activity. This study focuses on synthesizing dihydropyrimidinone and dihydropyridine derivatives of thymol and exploring their antibacterial properties. The synthesized compounds were tested for their in vitro antibacterial potential against pathogenic microorganisms, specifically Pseudomonas aeruginosa (Gram-negative) and methicillin-resistant Staphylococcus aureus (MRSA) (Gram-positive). Among the synthesized derivatives, compound 3i (ethyl 4-(4-hydroxy-5-isopropyl-2-methylphenyl)-2-imino-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate) exhibited the most promising antibacterial activity, with minimum inhibitory concentration (MIC) values of 12.5 µM against P. aeruginosa and 50.0 µM against MRSA. Additionally, compound 3i demonstrated a synergistic effect when combined with vancomycin, enhancing its antibacterial efficacy. The optimum fractional inhibitory concentration index (FICI) observed was 0.10 and 0.5 for MRSA and P. aeruginosa, respectively, in combination with vancomycin. In silico analysis of the physiochemical properties of 3i indicated compliance with all drug-likeness rules. Furthermore, molecular docking studies revealed that compound 3i has a stronger binding affinity to the target protein than thymol, providing valuable insights into its potential mechanism of action.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1482852"},"PeriodicalIF":3.8,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11523063/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142544688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

In-situ monitoring of polymer mechanochemistry: what can be learned from small molecule systems. 聚合物机械化学的原位监测：从小分子系统中可以学到什么？

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-16 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1490847

Niamh Willis-Fox

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Editorial: Application of metabolomics, peptidomics and proteomics in human nutrition and health. 社论：代谢组学、肽组学和蛋白质组学在人类营养与健康中的应用。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-16 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1504501

Evroula Hapeshi, Victoria Samanidou, Ioannis Sarigiannis, Christos Petrou, Panagiotis Vorkas

引用次数: 0

Sustainable synthesis of silver nanoparticles from Azadirachta indica: antimicrobial, antioxidant and in silico analysis for periodontal treatment. 从 Azadirachta indica 中可持续合成银纳米粒子：用于牙周治疗的抗菌、抗氧化和硅学分析。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-15 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1489253

Binapani Barik, Bhabani Sankar Satapathy, Gurudutta Pattnaik, Desai Vijay Bhavrao, Krishna Prasad Shetty

{"title":"Sustainable synthesis of silver nanoparticles from Azadirachta indica: antimicrobial, antioxidant and in silico analysis for periodontal treatment.","authors":"Binapani Barik, Bhabani Sankar Satapathy, Gurudutta Pattnaik, Desai Vijay Bhavrao, Krishna Prasad Shetty","doi":"10.3389/fchem.2024.1489253","DOIUrl":"https://doi.org/10.3389/fchem.2024.1489253","url":null,"abstract":"Introduction: This study explores potential application of silver nanoparticles (AgNPs) to treat periodontal infection using Azadirachta indica leaf extract. The eco-friendly green synthesis process uses Azadirachta indica as a natural stabilizer and reducer, allowing AgNPs to be formed.Methods: Experimental AgNPs were characterized through transmission electron microscopy (TEM), Fourier-transform infrared spectroscopy (FTIR), Zeta potential, ultraviolet-visible spectroscopy (UV-Vis) etc. The antimicrobial, antioxidant potential of AgNPs was tested to identify its efficacy against periodontal infections.Results and discussion: AgNPs were found spherical, nanosized (86 nm), with negative surface charge (-26.9 mV). TEM study depicted clear formation of discrete nanosize particles with smooth surface texture. Results showed strong antibacterial and anti-oxidant action of experimental AgNPs, preventing biofilm growth and bacterial viability. A higher binding affinity was observed between Quercetin and the selected protein, which is implicated in bacterial growth and biofilm formation on teeth. The study suggests that Azadirachta indica derived AgNPs could be a safe, efficacious, and eco-friendly alternative in place of conventional therapies to treat periodontal infection. Future in vivo studies are however warranted.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1489253"},"PeriodicalIF":3.8,"publicationDate":"2024-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11518748/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142544687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Nanobioprospecting of photoautotrophs for the fabrication of quantum dots: mechanism and applications. 用于制造量子点的光自养纳米生物勘探：机制与应用。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-15 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1458804

Pranav Pandya, Thomas J Webster, Sougata Ghosh

{"title":"Nanobioprospecting of photoautotrophs for the fabrication of quantum dots: mechanism and applications.","authors":"Pranav Pandya, Thomas J Webster, Sougata Ghosh","doi":"10.3389/fchem.2024.1458804","DOIUrl":"https://doi.org/10.3389/fchem.2024.1458804","url":null,"abstract":"Quantum dots (QDs), also known as nanoparticle-based fluorescent probes, are luminescent semiconductor particles with a size range of 2-20 nm. The unique optical and electronic capabilities of QDs have led to expanded applications in several fields such as optoelectronics, transistors, sensors, photodetection, catalysis, and medicine. The distinct quantum effects of nanocrystals can be controlled by changing their sizes and shapes using a variety of top-down and bottom-up tactics. QDs were traditionally fabricated using complex, expensive, toxic, and aggressive chemical techniques, which limited their application in a variety of disciplines. A unique approach for the biosynthesis of nanomaterials has been devised, which employs living organisms in the synthesis process and adheres to green chemistry principles. Biogenic QDs have favorable physicochemical features, biocompatibility, and fewer cytotoxic effects as a result of using natural biomolecules and enzymatic processes for mineralization, detoxification, and nucleation of metals and nonmetals to synthesize QDs. This is the first comprehensive review of its kind that highlights the synthesis of several doped and undoped QDs, including graphene QDs, carbon dots, silicon QDs, N/S-CDs, silver-CDs, cadmium-selenium QDs, and zinc oxide QDs, exclusively using photoautotrophic algae and plants. The different plausible mechanisms behind phyco- and phyto-fabrication of QDs are also discussed in detail along with their applications that include detection of organic and inorganic compounds, degradation of hazardous dyes, free radical scavenging, antimicrobial activity, cytotoxicity and bioimaging. Thus, this review aims to give valuable insights for the rational fabrication of photoluminescent nanomaterials with tunable structural and functional properties.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1458804"},"PeriodicalIF":3.8,"publicationDate":"2024-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11518822/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142544686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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