Frontiers in Chemistry最新文献_第7页

Efficient electrocatalytic CO₂ reduction to ethylene using cuprous oxide derivatives. 使用氧化亚铜衍生物高效电催化 CO2 还原成乙烯。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-14 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1482168

Wenfei Dong, Dewen Fu, Zhifeng Zhang, Zhiqiang Wu, Hongjian Zhao, Wangsuo Liu

{"title":"Efficient electrocatalytic CO2 reduction to ethylene using cuprous oxide derivatives.","authors":"Wenfei Dong, Dewen Fu, Zhifeng Zhang, Zhiqiang Wu, Hongjian Zhao, Wangsuo Liu","doi":"10.3389/fchem.2024.1482168","DOIUrl":"10.3389/fchem.2024.1482168","url":null,"abstract":"Copper-based materials play a vital role in the electrochemical transformation of CO2 into C2/C2+ compounds. In this study, cross-sectional octahedral Cu2O microcrystals were prepared in situ on carbon paper electrodes via electrochemical deposition. The morphology and integrity of the exposed crystal surface (111) were meticulously controlled by adjusting the deposition potential, time, and temperature. These cross-sectional octahedral Cu2O microcrystals exhibited high electrocatalytic activity for ethylene (C2H4) production through CO2 reduction. In a 0.1 M KHCO3 electrolyte, the Faradaic efficiency for C2H4 reached 42.0% at a potential of -1.376 V vs. RHE. During continuous electrolysis over 10 h, the FE (C2H4) remained stable around 40%. During electrolysis, the fully exposed (111) crystal faces of Cu2O microcrystals are reduced to Cu0, which enhances C-C coupling and could serve as the main active sites for catalyzing the conversion of CO2 to C2H4.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1482168"},"PeriodicalIF":3.8,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11514382/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142521533","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

Computational applications for the discovery of novel antiperovskites and chalcogenide perovskites: a review. 发现新型反包晶石和掺杂包晶石的计算应用：综述。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-11 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1468434

Ming Sheng, Suqin Wang, Hui Zhu, Zhuang Liu, Guangtao Zhou

{"title":"Computational applications for the discovery of novel antiperovskites and chalcogenide perovskites: a review.","authors":"Ming Sheng, Suqin Wang, Hui Zhu, Zhuang Liu, Guangtao Zhou","doi":"10.3389/fchem.2024.1468434","DOIUrl":"10.3389/fchem.2024.1468434","url":null,"abstract":"Novel perovskites pertain to newly discovered or less studied variants of the conventional perovskite structure, characterized by distinctive properties and potential for diverse applications such as ferroelectric, optoelectronic, and thermoelectric uses. In recent years, advancements in computational methods have markedly expedited the discovery and design of innovative perovskite materials, leading to numerous pertinent reports. However, there are few reviews that thoroughly elaborate the role of computational methods in studying novel perovskites, particularly for state-of-the-art perovskite categories. This review delves into the computational discovery of novel perovskite materials, with a particular focus on antiperovskites and chalcogenide perovskites. We begin with a discussion on the computational methods applied to evaluate the stability and electronic structure of materials. Next, we highlight how these methods expedite the discovery process, demonstrating how rational simulations contribute to researching novel perovskites with improved performance. Finally, we thoroughly discuss the remaining challenges and future outlooks in this research domain to encourage further investigation. We believe that this review will be highly beneficial both for newcomers to the field and for experienced researchers in computational science who are shifting their focus to novel perovskites.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1468434"},"PeriodicalIF":3.8,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11502337/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142497995","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

Yamaguchi esterification: a key step toward the synthesis of natural products and their analogs-a review. 山口酯化：合成天然产物及其类似物的关键步骤--综述。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-11 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1477764

Ramsha Munir, Ameer Fawad Zahoor, Muhammad Naveed Anjum, Asim Mansha, Ali Irfan, Aijaz Rasool Chaudhry, Ahmad Irfan, Katarzyna Kotwica-Mojzych, Mariola Glowacka, Mariusz Mojzych

引用次数: 0

Tetraarylpyrrolo[3,2-b]pyrrole-BODIPY dyad: a molecular rotor for FRET-based viscosity sensing. 四芳基吡咯并[3,2-b]吡咯-BODIPY 二元化合物：基于 FRET 的粘度传感分子转子。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-10 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1473769

Richa Agrawal, Sudip Gorai, Sunil Suresh Yadav, Amey P Wadawale, Soumyaditya Mula

{"title":"Tetraarylpyrrolo[3,2-b]pyrrole-BODIPY dyad: a molecular rotor for FRET-based viscosity sensing.","authors":"Richa Agrawal, Sudip Gorai, Sunil Suresh Yadav, Amey P Wadawale, Soumyaditya Mula","doi":"10.3389/fchem.2024.1473769","DOIUrl":"https://doi.org/10.3389/fchem.2024.1473769","url":null,"abstract":"With the aim to develop a FRET-based viscosity sensor, two dyad molecules, 4 and 5, comprising tetraarylpyrrolo[3,2-b]pyrrole (TAPP) (donor) and naked boron-dipyrromethene (BODIPY) dyes (acceptor), were designed. Dyads were synthesized via acid-catalyzed multicomponent reactions followed by Sonogashira coupling. In both dyads, the BODIPY and TAPP moieties are linked through phenylethynyl groups, which allow free rotation of the BODIPY dyes; that is, they can act as molecular rotors. This was supported by X-ray crystallographic and DFT-optimized structures. Spectroscopic studies also confirmed the presence of both TAPP and BODIPY dyes in dyads with no electronic interactions that are suitable for fluorescence resonance energy transfer (FRET). Very high energy transfer efficiency (ETE >99%) from the donor TAPP moiety to the acceptor BODIPY moiety on excitation at the TAPP part was observed. However, due to the non-fluorescent nature of naked BODIPY dyes, no fluorescence emission was observed from the BODIPY moiety in both dyads. With increasing solvent viscosities, emission from the BODIPY moieties increases due to the restricted rotation of the BODIPY moieties. Plotting the logarithms of the fluorescent intensity of dyad 5 and the viscosity of the solution showed a good linear correlation obeying a Förster-Hoffmann equation. Non-fluorescent dyad 5 in methanol became greenish-yellow fluorescent in a methanol/glycerol (1:1) solvent. Furthermore, with an increase in the temperature of the methanol/glycerol (1:1) system, as the viscosity decreases, the fluorescence also starts decreasing. Thus, dyad 5 is capable of sensing the viscosity of the medium via a FRET-based \"Off-On\" mechanism. This type of viscosity sensor with a very large pseudo-Stokes shift and increased sensitivity will be useful for advancing chemo-bio sensing and imaging applications.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1473769"},"PeriodicalIF":3.8,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11499138/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142498007","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

Magnetic gelatin-hesperidin microrobots promote proliferation and migration of dermal fibroblasts. 磁性明胶-橙皮甙微型机器人可促进真皮成纤维细胞的增殖和迁移。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-10 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1478338

Xuyan Sun, Hua Yang, Han Zhang, Weiwei Zhang, Chunyu Liu, Xiaoxiao Wang, Wenping Song, Lin Wang, Qingsong Zhao

{"title":"Magnetic gelatin-hesperidin microrobots promote proliferation and migration of dermal fibroblasts.","authors":"Xuyan Sun, Hua Yang, Han Zhang, Weiwei Zhang, Chunyu Liu, Xiaoxiao Wang, Wenping Song, Lin Wang, Qingsong Zhao","doi":"10.3389/fchem.2024.1478338","DOIUrl":"https://doi.org/10.3389/fchem.2024.1478338","url":null,"abstract":"Dermal fibroblasts play a crucial role in the formation of granulation tissue in skin wounds. Consequently, the differentiation, migration, and proliferation of dermal fibroblasts are considered key factors in the skin wound healing process. However, in patients with diabetic foot ulcers, the proliferation and migration of fibroblasts are impaired by reactive oxygen species and inflammatory factors impair. Therefore, a novel magnetic gelatin-hesperidin microrobots drug delivery system was developed using microfluidics. The morphology, motility characteristics, and drug release of the microrobot were assessed, along with its impact on the proliferation and migration of human dermal fibroblasts under high-glucose conditions. Subjected to a rotating magnetic field, the microrobots exhibit precise, controllable, and flexible autonomous motion, achieving a maximum speed of 9.237 μm/s. In vitro drug release experiments revealed that approximately 78% of the drug was released within 30 min. It was demonstrated through cellular experiments that the proliferation of human dermal fibroblasts was actively promoted by the nanorobot, the migration ability of fibroblasts in a high-glucose state was enhanced, and good biocompatibility was exhibited. Hence, our study may provide a novel drug delivery system with significant potential for promoting the healing of diabetic foot wounds.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1478338"},"PeriodicalIF":3.8,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11499193/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142498003","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

Nanomaterial-based cancer immunotherapy: enhancing treatment strategies. 基于纳米材料的癌症免疫疗法：增强治疗策略。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-10 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1492215

Mengxiang Tian, Xionglin Liu, Haiping Pei

引用次数: 0

A sustainable protocol for the synthesis of N-acyl tryptamines, a class of potential gut microbiota-derived endocannabinoid-like mediators. 合成 N-acyl 色胺--一类潜在的肠道微生物群衍生内源性大麻素样介质--的可持续方案。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-10 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1436008

Rosaria Villano, Vincenzo Di Marzo

引用次数: 0

Tuning the circularly polarized luminescence in homoleptic and heteroleptic chiral Cr^III complexes. 调谐同色和异色手性 CrIII 复合物的圆偏振发光。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-09 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1472943

Maxime Poncet, Céline Besnard, Laure Guénée, Juan-Ramón Jiménez, Claude Piguet

{"title":"Tuning the circularly polarized luminescence in homoleptic and heteroleptic chiral CrIII complexes.","authors":"Maxime Poncet, Céline Besnard, Laure Guénée, Juan-Ramón Jiménez, Claude Piguet","doi":"10.3389/fchem.2024.1472943","DOIUrl":"https://doi.org/10.3389/fchem.2024.1472943","url":null,"abstract":"A series of highly emissive inert and chiral CrIII complexes displaying positive and negative circularly polarized luminescence (CPL) within the near-infrared (NIR) region at room temperature have been prepared and characterized to decipher the effect of ligand substitution on the photophysical properties, more specifically on the chiroptical properties. The helical homoleptic [Cr(dqp-R)2]3+ (dqp = 2,6-di(quinolin-8-yl)pyridine; R = Ph, ≡-Ph, DMA, ≡-DMA (DMA = N,N-dimethylaniline)) and heteroleptic [Cr(dqp)(L)]3+ (L = 4-methoxy-2,6-di(quinolin-8-yl)pyridine (dqp-OMe) or L = N 2,N 6-dimethyl-N 2,N 6-di(pyridin-2-yl)pyridine-2,6-diamine (ddpd)) molecular rubies were synthesized as racemic mixtures and then resolved and isolated into their respective pure PP and MM enantiomeric forms by chiral stationary phase HPLC. The corresponding enantiomers show two opposite polarized emission bands within the 700-780 nm range corresponding to the characteristic metal-centered Cr(2E'→4A2) and Cr(2T1 '→4A2) transitions with large g lum ranging from 0.14 to 0.20 for the former transition. In summary, this study reports the rational use of different ligands on CrIII and their effect on the chiroptical properties of the complexes.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1472943"},"PeriodicalIF":3.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496276/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142498008","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

Ultrasensitive and highly selective Co²⁺ detection based on the chiral optical activities of L-glutathione-modified gold nanoclusters. 基于 L-谷胱甘肽修饰金纳米团簇手性光学活性的超灵敏、高选择性 Co2+ 检测。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-09 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1478021

Qi Ding, Fang Wang, Weimin Yang, Xinhe Xing, Hengwei Lin, Liguang Xu, Si Li

{"title":"Ultrasensitive and highly selective Co2+ detection based on the chiral optical activities of L-glutathione-modified gold nanoclusters.","authors":"Qi Ding, Fang Wang, Weimin Yang, Xinhe Xing, Hengwei Lin, Liguang Xu, Si Li","doi":"10.3389/fchem.2024.1478021","DOIUrl":"https://doi.org/10.3389/fchem.2024.1478021","url":null,"abstract":"Developing highly sensitive and selective detection methods is crucial for environmental and healthcare monitoring. In this study, the chiral and fluorescent signals of L-glutathione-modified gold nanoclusters (L-GSH-Au NCs) were discovered to be responsive to Co2+, which displayed linear correlations with the concentration changes of Co2+. Notably, the chiral signal was more sensitive than the FL signal, whose limit of detection (LOD) was calculated to be 0.37 μM and 3.93 times lower than the LOD obtained with fluorescent signals. Moreover, the chiral signals exhibited unexpectedly high selectivity towards Co2+, effectively avoiding interference from other metal ions and biomolecules. Furthermore, the concentrations of Co2+ in various samples, such as Taihu water, tap water, bottled water, and animal serum, were accurately quantified using the chiral signals of L-GSH-Au NCs without complex pretreatment, with recoveries ranging between 95.64% and 103.22%. This study not only provides an innovative approach for Co2+ detection but also highlights the detection capabilities of chiral signals in complex environments.","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1478021"},"PeriodicalIF":3.8,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11496063/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142498009","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

How to simulate dissociative chemisorption of methane on metal surfaces. 如何模拟甲烷在金属表面的离解化学吸附。

IF 3.8 3区化学

Frontiers in Chemistry Pub Date : 2024-10-09 eCollection Date: 2024-01-01 DOI: 10.3389/fchem.2024.1481235

Nick Gerrits

引用次数: 0