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Synthesis of fully bio-based poly (3-hydroxybutyrate)-oligo-2-ethyl oxazoline conjugates Front. Chem. (IF 5.5) Pub Date : 2024-03-14 Baki Hazer, Özlem Altunordu Kalaycı, Fatma Koçak
This work refers to the synthesis and characterization of poly (3-hydroxybutyrate)-b-oligo (2-ethyl oxazoline) (oligoEtOx). Cationic ring-opening polymerization of 2-ethyl oxazoline yielded poly (2-ethyl oxazoline) (oligoEtOx) with a hydroxyl end. Carboxylic acid-terminated PHB was reacted with oligoEtOx via dicyclohexylcarbodiimide chemistry to obtain PHB-b-oligoEtOx conjugates. The obtained PHB-b-oligoEtOx
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The influence of Mg/Al molar ratio on the performance of CuMgAl-x catalysts for CO2 hydrogenation to methanol Front. Chem. (IF 5.5) Pub Date : 2024-03-14 Haoran Liu, Wenbin Huang, Zhen Xu, Yijing Jia, Meng Huang, Xiaoyue Liu, Han Yang, Rongrong Li, Qiang Wei, Yasong Zhou
The CuMgAl-x catalysts derived from hydrotalcite precursors with different Mg/Al molar ratios were synthesized and applied to CO2 hydrogenation to methanol reaction. In this study, the effects of Mg/Al molar ratio on the structure and surface properties of CuMgAl-x catalysts were investigated by XRD, N2 adsorption-desorption, SEM, TEM, H2-TPR, CO2-TPD, XPS, and in situ DRIFTS characterization methods
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Biologically active secondary metabolites from white-rot fungi Front. Chem. (IF 5.5) Pub Date : 2024-03-13 Orkun Pinar, Susana Rodríguez-Couto
In recent years, there has been a considerable rise in the production of novel metabolites derived from fungi compared to the ones originating from bacteria. These organic substances are utilized in various sectors such as farming, healthcare, and pharmaceutical. Since all dividing living cells contain primary metabolites, secondary metabolites are synthesized by utilizing intermediate compounds or
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Mechanistic insights on 1-butene polymerization catalyzed by homogeneous single-site catalysts: a DFT computational study Front. Chem. (IF 5.5) Pub Date : 2024-03-13 Olga D’Anania, Claudio De Rosa, Giovanni Talarico
Isotactic poly (1-butene) (iPB) is an interesting semi-crystalline thermoplastic material characterized by notable physical and mechanical attributes encompassing superior creep and stress resistance, elevated toughness, stiffness, and thermal endurance. These distinctive features position iPB as a viable candidate for specific applications; however, its widespread utilization is hindered by certain
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Synthesis and biological evaluation of pyridylpiperazine hybrid derivatives as urease inhibitors Front. Chem. (IF 5.5) Pub Date : 2024-03-13 Muhammad Akash, Sumera Zaib, Matloob Ahmad, Sadia Sultan, Sami A. Al-Hussain
Urease, a nickel-dependent enzyme found in various life forms, catalyzes urea breakdown, concluding nitrogen metabolism by generating ammonia and carbamate. This process causes a rise in pH, supports the survival of pathogens, and can lead to infections such as gastric disorders like ulcers and cancer in humans. Helicobacter pylori employs urease for survival in the acidic environment of the stomach
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A novel approach for adsorption of organic dyes from aqueous solutions using a sodium alginate/titanium dioxide nanowire doped with zirconium cryogel beads Front. Chem. (IF 5.5) Pub Date : 2024-03-13 Sana Azeroual, Khalid Khatib, Ahmed Belfkira, El-Houssaine Ablouh, Zouhair Hanani, Moha Taourirte, Rachid Jalal
The presence of organic dyes in wastewater raises significant environmental and human health concerns, owing to their high toxicity. In light of this, a novel adsorbent material with porous cryogel architecture was developed and employed for the effective removal of organic dyes from an aqueous solution. Initially, a titanium dioxide nanowire doped with zirconium HZTO was synthesized by the hydrothermal
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Substrate types and applications of MXene for surface-enhanced Raman spectroscopy Front. Chem. (IF 5.5) Pub Date : 2024-03-12 Zhi-Wei Liu, Gong Wang, Yun-Fei Li, Yu Yu
Surface-enhanced Raman spectroscopy (SERS) has been widely used in the analysis of analytes because of its unique fingerprint characteristics, high sensitivity, and fast detection response. MXene is widely used in SERS studies among the various substrates due to its ultra-high chemical stability, excellent conductivity, hydrophilicity, and low fabrication cost. This mini-review summarizes MXene’s research
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pH-responsive interface conversion efficient oral drug delivery platform for alleviating inflammatory bowel disease Front. Chem. (IF 5.5) Pub Date : 2024-03-12 Yingying Zhao, Changqing Xu, Qing Liu, Xiaofei Lei, Li Deng, Fengyan Wang, Jing Yang
A key challenge for the effective treatment of intestinal diseases, including inflammatory bowel disease (IBD), is to develop an oral drug delivery system that can resist gastric acid erosion and efficiently release drugs after rapid entry into the intestine. In the present work, we developed oral composite nanoparticles (MSZ@PRHS) consisting of a rough mesoporous silica (RHS) loaded with Mesalazine
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Characterization of moisture migration and diffusion in two types of tobacco biomass during the dehydration process by the TG-NMR analysis Front. Chem. (IF 5.5) Pub Date : 2024-03-12 Wenkui Zhu, Bo Zhou, Kun Duan, Duoduo Huang, Lifeng Han, Rongya Zhang, Wu Wen, Bing Wang, Bin Li
The tobacco waste generated from the tobacco agriculture and industry, including the discarded stem and leaf, often needs dehydration pretreatment before thermal conversion utilization. In order to study the water activity and migration of tobacco waste during the pretreatment process, TG-NMR (Thermogravimetric Nuclear Magnetic Resonance) was used to obtain the drying curves and LF-NMR (Low Field Nuclear
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Influence of cathode materials on thermal characteristics of lithium-ion batteries Front. Chem. (IF 5.5) Pub Date : 2024-03-12 Yuan Yuan, Qian Ma, Xiangqian Zhang, Fan Zhang, Xiangning Song, Hongchuan Xin, Guiru Zhu, Hongzhe Zhang
In this work, the thermal stability of four types of 18,650 lithium-ion batteries with LiCoO2 (LCO), LiFePO4 (LFP), LiNi0.8Co0.1Mn0.1O2 (NCM811) and LiNi0.8Co0.15Al0.05O2 (NCA) materials as cathodes are experimentally investigated by the accelerating rate calorimeter (ARC) and the isothermal battery testing calorimeter (iso-BTC) under adiabatic and isothermal conditions, respectively. The thermal runaway
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Structures and growth pathways of AunCln+3- (n ≤ 7) cluster anions Front. Chem. (IF 5.5) Pub Date : 2024-03-11 Shiyin Xu, Xinhe Liu, Yameng Hou, Min Kou, Xinshi Xu, Filip Veljković, Suzana Veličković, Xianglei Kong
Gold chloride clusters play an important role in catalysis and materials chemistry. Due to the diversity of their species and isomers, there is still a dearth of structural studies at the molecular level. In this work, anions of AunCln+3- and AunCln+5- (n = 2–4) clusters were obtained by laser desorption/ionization mass spectrometry (LDI MS), and the most stable isomers of AunCln+3- were determined
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An ultra-sensitive biosensor based on surface plasmon resonance and weak value amplification Front. Chem. (IF 5.5) Pub Date : 2024-03-08 Lizhong Zhang, Mingyi He, Yang Xu, Cuixia Guo, Chongqi Zhou, Tian Guan
An ultra-sensitive phase plasmonic sensor combined with weak value amplification is proposed for the detection of IgG, as a model analyte. Phase detection is accomplished by self-interference between the p-polarization and the s-polarization of the light. With the principles of weak value amplification, a phase compensator is used to modulate the coupling strength and enhance the refractive index sensitivity
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Rapid, simple, and simultaneous electrochemical determination of cadmium, copper, and lead in Baijiu using a novel covalent organic framework based nanocomposite Front. Chem. (IF 5.5) Pub Date : 2024-03-07 Liangyun Yu, Jingjing Zhang, Jiajun Li, Liangju Sun, Qi Zhang, Bairen Yang, Mingquan Huang, Baocai Xu
It is of great significance to develop a simple and rapid electrochemical sensor for simultaneous determination of heavy metal ions (HMIs) in Baijiu by using new nanomaterials. Here, graphene (GR) was utilized to combine with covalent organic frameworks (COFs) that was synthesized via the aldehyde-amine condensation between 2, 5-dimethoxyterephthalaldehyde (DMTP) and 1, 3, 5-tris(4-aminophenyl) benzene
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Halloysite nanotubes-enhanced epoxy acrylate latex emulsion as a novel anticorrosive protective coating for metal surface in 3.5% NaCl solution Front. Chem. (IF 5.5) Pub Date : 2024-03-07 Muhammad Asif, Matloob Ahmad, Muhammad Jawwad Saif, Muhammad Naveed Anjum, Magdi E. A. Zaki
Corrosion is a major problem that can lead to the degradation of metal structures. In this study, we developed a novel corrosion-protective coating for metal substrates based on a modified epoxy acrylate formulation reinforced with halloysite nanotubes (HNTs). Epoxy acrylate oligomers were first synthesized through the acrylation of epoxy using acrylic acid, followed by copolymerization with butyl
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Effect of particle size and composition on local magnetic hyperthermia of chitosan-Mg1−xCoxFe2O4 nanohybrid Front. Chem. (IF 5.5) Pub Date : 2024-03-06 M. Aminul Islam, Ishtiaque M. Syed, M. Al Mamun, S. Manjura Hoque
In this study, Mg1−xCoxFe2O4 (0≤x ≤ 1 with ∆x = 0.1) or MCFO nanoparticles were synthesized using a chemical co-precipitation method and annealed at 200, 400, 600, and 800°C respectively to investigate the structural properties of the materials by X-ray diffractometer (XRD), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FTIR). Controlled annealing increased particle
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Anti-leishmanial activity of Eleutherine plicata Herb. and predictions of isoeleutherin and its analogues Front. Chem. (IF 5.5) Pub Date : 2024-03-06 Kelly Cristina Oliveira de Albuquerque, Andreza do Socorro Silva da Veiga, Fernando Tobias Silveira, Marliane Batista Campos, Ana Paula Lima da Costa, Ananda Karolyne Martins Brito, Paulo Ricardo de Souza Melo, Sandro Percario, Fábio Alberto de Molfetta, Maria Fâni Dolabela
Introduction: Leishmaniasis is caused by protozoa of the genus Leishmania, classified as tegumentary and visceral. The disease treatment is still a serious problem, due to the toxic effects of available drugs, the costly treatment and reports of parasitic resistance, making the search for therapeutic alternatives urgent. This study assessed the in vitro anti-leishmanial potential of the extract, fractions
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Performance evaluation of dextran-coated CaFe12O19/MnFe2O4 exchange-spring composites for the self-heating properties at radio frequency field Front. Chem. (IF 5.5) Pub Date : 2024-03-05 Ishtiaque Syed, Sharmin Akter Lima, Nandita Deb, M. Al-mamun, Sheikh Manjura Hoque
The CaFe12O19/MnFe2O4 composites with the hard (CaFe12O19) and soft (MnFe2O4) magnetic phases, were prepared by chemical co-precipitation method. The prepared composites were calcined at three different temperatures to form different phases. The structural, morphological, and magnetic properties of composite were analyzed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), room
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Optimization of doping design for planar P-N homologous junction perovskite solar cells Front. Chem. (IF 5.5) Pub Date : 2024-03-04 Wenfeng Liu, Ziyou Zhou, Jicheng Zhou
In this study, we used the solar cell capacitance simulator (SCAPS) to analyse numerically the performance of perovskite solar cells (PSCs) containing CH3NH3PbI3. The findings indicate that P-N homologous junction processing based on traditional P-I-N PSCs can enhance the photoelectric conversion efficiency (PCE). Furthermore, the authors analyzed the effect of uniform P-N doping of CH3NH3PbI3, concluding
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Ionic liquid electrolyte selection for high voltage supercapacitors in high-temperature applications Front. Chem. (IF 5.5) Pub Date : 2024-03-04 Ahmed Bahaa, Ayoob Alhammadi, Kallidanthiyil Chellappan Lethesh, Rahmat Agung Susantyoko, Musbaudeen O. Bamgbopa
Systematic analyses of electrolyte physicochemical properties are important to screen ionic liquids (ILs) and understand the electrochemical performance of supercapacitor electrolytes. This study harmonizes the evaluation of electrochemical performance and transport properties of eight shortlisted ILs from 22 commercially available hydrophobic ILs toward achieving a ≥ 5 V supercapacitor capable of
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Structure-activity relationship study of mesyl and busyl phosphoramidate antisense oligonucleotides for unaided and PSMA-mediated uptake into prostate cancer cells Front. Chem. (IF 5.5) Pub Date : 2024-03-04 O. Sergeeva, E. Akhmetova, S. Dukova, E. Beloglazkina, A. Uspenskaya, A. Machulkin, D. Stetsenko, T. Zatsepin
Phosphorothioate (PS) group is a key component of a majority of FDA approved oligonucleotide drugs that increase stability to nucleases whilst maintaining interactions with many proteins, including RNase H in the case of antisense oligonucleotides (ASOs). At the same time, uniform PS modification increases nonspecific protein binding that can trigger toxicity and pro-inflammatory effects, so discovery
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Epoxy-based multifunctional solid polymer electrolytes for structural batteries and supercapacitors. a short review Front. Chem. (IF 5.5) Pub Date : 2024-03-01 Nitai Chandra Adak, Sungmook Lim, Guk-Hwan Lee, Wonoh Lee
The potential applications of epoxy-based solid polymer electrolytes are continually expanding because of their versatile characteristics. These characteristics include mechanical rigidity, nonvolatility, nonflammability, and electrochemical stability. However, it is worth noting that pure epoxy-based solid polymer electrolytes inherently exhibit lower ion transport capabilities when compared to traditional
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Chemical structures, biological activities, and medicinal potentials of amine compounds detected from Aloe species Front. Chem. (IF 5.5) Pub Date : 2024-03-01 Adamu Tizazu Yadeta
Unrestricted interest in Aloe species has grown rapidly, and a lot of research is currently being done to learn more about the properties of the various Aloe constituents. Organic compounds containing amine as functional group are present in a vivid variety of compounds, namely, amino acids, hormones, neurotransmitters, DNA, alkaloids, dyes, etc. These compounds have amine functional groups that have
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Novel strategy for depolymerization of avermectin fermentation residue to value-added amino acid product Front. Chem. (IF 5.5) Pub Date : 2024-03-01 Chi Ma, Zhengxin Mao, Qingfen Liu
Avermectin fermentation residue (AFR) is rich in proteins, which can be depolymerized to value-added amino acids for in-plant reuse. The hydrochloric acid (HCl) hydrolysis is performed and investigated under different conditions, including HCl concentration, solid-liquid ratio, temperature, and time. The hydrolysis degree (HD) of 67.7% can be achieved. The empirical correlation of HD is established
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Halogenated dicyanobenzene-based photosensitizer (3DPAFIPN) as a thermally activated delayed fluorescence (TADF) used in gram-scale photosynthesis 3,4-dihydropyrimidin-2-(1H)-one/thione derivatives via a consecutive visible-light-induced electron-transfer pathway Front. Chem. (IF 5.5) Pub Date : 2024-03-01 Farzaneh Mohamadpour, Ali Mohammad Amani
Background: Organic dyes often have shorter lifetimes in the excited state, which is a major obstacle to the development of effective photoredox methods. The scientific community has shown a great deal of interest in a certain class of organic chromophores because of their unique characteristics and effectiveness. One characteristic of the molecules under research is thermally activated delayed fluorescence
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Structure-reactivity analysis of novel hypervalent iodine reagents in S-vinylation of thiols Front. Chem. (IF 5.5) Pub Date : 2024-02-29 Sayad Doobary, Ester Maria Di Tommaso, Alexandru Postole, A. Ken Inge, Berit Olofsson
The transition-metal free S-vinylation of thiophenols by vinylbenziodoxolones (VBX) constituted an important step forward in hypervalent iodine-mediated vinylations, highlighting the difference to vinyliodonium salts and that the reaction outcome was influenced by the substitution pattern of the benziodoxolone core. In this study, we report several new classes of hypervalent iodine vinylation reagents;
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Elucidating the anti-hypertensive mechanisms of Uncaria rhynchophylla-Alisma plantago-aquatica L: an integrated network pharmacology, cluster analysis, and molecular docking approach Front. Chem. (IF 5.5) Pub Date : 2024-02-29 Tong Yin, Han Zhang, Xingfang Liu, Dongfeng Wei, Cong Ren, Liangyu Cui, Yukun Li, Linshuang Wang, Jiaheng Wang, Zhiwei Zhao, Dasheng Liu, Liying Wang, Xuejie Han
Background: With the increasing global prevalence of hypertension, a condition that can severely affect multiple organs, there is a growing need for effective treatment options. Uncaria rhynchophylla-Alisma plantago-aquatica L. (UR-AP) is a traditional drug pair used for treating hypertension based on the liver-kidney synergy concept. However, the detailed molecular mechanisms underlying its efficacy
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Exploring pyrrolidinyl-spirooxindole natural products as promising platforms for the synthesis of novel spirooxindoles as EGFR/CDK2 inhibitors for halting breast cancer cells Front. Chem. (IF 5.5) Pub Date : 2024-02-29 Mohamed S. Nafie, Abdullah Mohammed Al-Majid, M. Ali, Abdulmajeed Abdullah Alayyaf, Matti Haukka, Sajda Ashraf, Zaheer Ul-Haq, Ayman El-Faham, Assem Barakat
Cancer represents a global challenge, and the pursuit of developing new cancer treatments that are potent, safe, less prone to drug resistance, and associated with fewer side effects poses a significant challenge in cancer research and drug discovery. Drawing inspiration from pyrrolidinyl-spirooxindole natural products, a novel series of spirooxindoles has been synthesized through a one-pot three-component
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Ionic liquid containing high-density polyethylene supported tungstate: a novel, efficient, and highly recoverable catalyst Front. Chem. (IF 5.5) Pub Date : 2024-02-29 Farideh Mousavi, Dawood Elhamifar, Shiva Kargar, Davar Elhamifar
Synthesis and catalytic application of polymeric-based nanocomposites are important subjects among researchers due to their high lipophilicity as well as high chemical and mechanical stability. In the present work, a novel nanocomposite material involving ionic liquid and high-density polyethylene supported tungstate (PE/IL-WO4=) is synthesized, characterized and its catalytic application is investigated
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Implications of graphene-based materials in dentistry: present and future Front. Chem. (IF 5.5) Pub Date : 2024-02-29 M. Roma, Shreya Hegde
Since the advent of nanoscience, nanobiomaterials have been applied in the dental industry. Graphene and its derivatives have attracted the most interest of all of them due to their exceptional look, biocompatibility, multiplication differential, and antibacterial capabilities. We outlined the most recent developments about their applications to dentistry in our review. There is discussion of the synthesis
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Physicochemical properties, pharmacokinetic studies, DFT approach, and antioxidant activity of nitro and chloro indolinone derivatives Front. Chem. (IF 5.5) Pub Date : 2024-02-28 Abdul Saboor Pirzada, Haroon Khan, Waqas Alam, Hany W. Darwish, Ahmed A. Elhenawy, Aleksey Kuznetsov, Maria Daglia
The process of developing of new drugs is greatly hampered by their inadequate physicochemical, pharmacokinetic, and intrinsic characteristics. In this regard, the selected chloro indolinone, (Z)-6-chloro-3-(2-chlorobenzylidene)indolin-2-one (C1), and nitro indolinone, (Z)-6-chloro-3-(2-nitrobenzylidene)indolin-2-one (C2), were subjected to SwissADME and density function theory (DFT) analysis. For
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Synthesis and biological evaluation of novel benzothiazole derivatives as potential anticancer and antiinflammatory agents Front. Chem. (IF 5.5) Pub Date : 2024-02-28 Xuemei Xu, Zhaojingtao Zhu, Siyu Chen, Yanneng Fu, Jinxia Zhang, Yangyang Guo, Zhouyang Xu, Yingying Xi, Xuebao Wang, Faqing Ye, Huijun Chen, Xiaojiao Yang
Introduction: Cancer, a significant global health concern, necessitates innovative treatments. The pivotal role of chronic inflammation in cancer development underscores the urgency for novel therapeutic strategies. Benzothiazole derivatives exhibit promise due to their distinctive structures and broad spectrum of biological effects. This study aims to explore new anti-tumor small molecule drugs that
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Essential oil-containing solutions (mouthwashes) preserve dental enamel with releasing low Ca and P concentrations without morphology alterations: an in vitro study Front. Chem. (IF 5.5) Pub Date : 2024-02-28 Sheila Cristina Almeida Neves Mutran, Paulo Roberto de Carvalho-Filho, Mara Eliane Soares Ribeiro, Kelson do Carmo Freitas Faial, Rafael Rodrigues Lima, Roberta Souza D’Almeida Couto
Introduction: The use of natural products such as essential oils has been suggested due to their promising pharmacological effects and economic viability. This study aimed to determine hydrogenic potential (pH), titratable acidity (TA), and ion concentrations of five solutions containing essential oils (EO), when used as a EO-containing solutions, and evaluate ion concentrations, enamel surface loss
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Commercial hydrogel product for drug delivery based on route of administration Front. Chem. (IF 5.5) Pub Date : 2024-02-27 Amin Raeisi, Fatemeh Farjadian
Hydrogels are hydrophilic, three-dimensional, cross-linked polymers that absorb significant amounts of biological fluids or water. Hydrogels possess several favorable properties, including flexibility, stimulus-responsiveness, versatility, and structural composition. They can be categorized according to their sources, synthesis route, response to stimulus, and application. Controlling the cross-link
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Production of anhydrous hydrogen fluoride from fluorosilicic acid: a review Front. Chem. (IF 5.5) Pub Date : 2024-02-27 Huachun Yang, Shijiang Li, Hehua Yu, Haixia Liu, Kai Sun, Xiaolan Chen
Anhydrous hydrogen fluoride (AHF), a critical raw material for industries such as aluminum, pharmaceuticals, and petroleum, has traditionally been sourced from fluorite—a non-renewable mineral. The unsustainable reliance on fluorite has catalyzed the search for alternative AHF production methods. A promising substitute is fluorosilicic acid (FSA), a byproduct of the phosphate fertilizer industry previously
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Anti-ulcerative colitis effects of chemically characterized extracts from Calliandra haematocephala in acetic acid-induced ulcerative colitis Front. Chem. (IF 5.5) Pub Date : 2024-02-27 Inaam Ur Rehman, Mohammad Saleem, Syed Atif Raza, Saher Bashir, Taha Muhammad, Shahzad Asghar, Muhammad Usman Qamar, Tawaf Ali Shah, Yousef A. Bin Jardan, Amare Bitew Mekonnen, Mohammed Bourhia
Background: Ulcerative colitis is a chronic immune-mediated inflammatory bowel disease that involves inflammation and ulcers of the colon and rectum. To date, no definite cure for this disease is available.Objective: The objective of the current study was to assess the effect of Calliandra haematocephala on inflammatory mediators and oxidative stress markers for the exploration of its anti-ulcerative
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Nanocomposites and their application in antimicrobial packaging Front. Chem. (IF 5.5) Pub Date : 2024-02-26 Adriano Brandelli
The advances in nanocomposites incorporating bioactive substances have the potential to transform the food packaging sector. Different nanofillers have been incorporated into polymeric matrixes to develop nanocomposite materials with improved mechanical, thermal, optical and barrier properties. Nanoclays, nanosilica, carbon nanotubes, nanocellulose, and chitosan/chitin nanoparticles have been successfully
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The state-of-art polyurethane nanoparticles for drug delivery applications Front. Chem. (IF 5.5) Pub Date : 2024-02-26 Wencong Song, Saz Muhammad, Shanxing Dang, Xingyan Ou, Xingzi Fang, Yinghe Zhang, Lihe Huang, Bing Guo, XueLian Du
Nowadays, polyurethanes (PUs) stand out as a promising option for drug delivery owing to their versatile properties. PUs have garnered significant attention in the biomedical sector and are extensively employed in diverse forms, including bulk devices, coatings, particles, and micelles. PUs are crucial in delivering various therapeutic agents such as antibiotics, anti-cancer medications, dermal treatments
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Enhanced photocatalytic degradation of methylene blue using a novel counter-rotating disc reactor Front. Chem. (IF 5.5) Pub Date : 2024-02-23 Amir Hossein Ghasemi, Mohamad Javad Zoqi, Payam Zanganeh Ranjbar
Introduction: This research introduces an innovative photocatalytic reactor designed to address challenges in wastewater treatment, with a focus on enhancing dye degradation and reducing Chemical Oxygen Demand (COD).Methods: The reactor is designed with counter-rotational movements of discs to enhance hydrodynamics and mass transfer, along with a 3D-printed, interchangeable component system to boost
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Double cross-linked graphene oxide hydrogel for promoting healing of diabetic ulcers Front. Chem. (IF 5.5) Pub Date : 2024-02-22 Wenxu Liu, Yunfang Yang, Meiying Li, Jingxin Mo
This study explores the synthesis and characterization of a novel double cross-linked hydrogel composed of polyvinyl alcohol (PVA), sodium alginate (SA), graphene oxide (GO), and glutathione (GSH), henceforth referred to as PVA/SA/GO/GSH. This innovative hydrogel system incorporates two distinct types of cross-linking networks and is meticulously engineered to exhibit sensitivity to high glucose and/or
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Biochemical characterization of L-asparaginase isoforms from Rhizobium etli—the boosting effect of zinc Front. Chem. (IF 5.5) Pub Date : 2024-02-22 Joanna Sliwiak, Paulina Worsztynowicz, Kinga Pokrywka, Joanna I. Loch, Marta Grzechowiak, Mariusz Jaskolski
L-Asparaginases, divided into three structural Classes, catalyze the hydrolysis of L-asparagine to L-aspartic acid and ammonia. The members of Class 3, ReAIV and ReAV, encoded in the genome of the nitrogen fixing Rhizobium etli, have the same fold, active site, and quaternary structure, despite low sequence identity. In the present work we examined the biochemical consequences of this difference. ReAIV
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Advancements in incorporating metal ions onto the surface of biomedical titanium and its alloys via micro-arc oxidation: a research review Front. Chem. (IF 5.5) Pub Date : 2024-02-22 Xue’e Zhang, Wuchao Zhou, Weihong Xi
The incorporation of biologically active metallic elements into nano/micron-scale coatings through micro-arc oxidation (MAO) shows significant potential in enhancing the biological characteristics and functionality of titanium-based materials. By introducing diverse metal ions onto titanium implant surfaces, not only can their antibacterial, anti-inflammatory and corrosion resistance properties be
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Harnessing Brazilian biodiversity database: identification of flavonoids as potential inhibitors of SARS-CoV-2 main protease using computational approaches and all-atom molecular dynamics simulation Front. Chem. (IF 5.5) Pub Date : 2024-02-22 João Augusto Pereira da Rocha, Renato Araújo da Costa, Andreia do Socorro Silva da Costa, Elaine Cristina Medeiros da Rocha, Anderson José Bahia Gomes, Alencar Kolinski Machado, Solange Binotto Fagan, Davi do Socorro Barros Brasil, Anderson Henrique Lima e Lima
SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus 2) is the etiological agent responsible for the global outbreak of COVID-19 (Coronavirus Disease 2019). The main protease of SARS-CoV-2, Mpro, is a key enzyme that plays a vital role in mediating viral replication and transcription. In this study, a comprehensive computational approach was employed to investigate the binding affinity, selectivity
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The function of chemical folic acid in calibration methods and neurodevelopmental disorders Front. Chem. (IF 5.5) Pub Date : 2024-02-22 Ziqi Zhou, Meng Wang, Qiongli Fan, Yan Zhao, Nianrong Wang
Functional molecules have been attracting increasing attention in environmental and physiological studies. In particular, folic acid (FA) could be considered a key factor in estimating, adjusting, and making decisions in the treatment of neurodevelopmental disorders. It promotes the general significance and conceptual for considering FA molecular scientific research detections, which implies related
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Exploring the potential of a Ephedra alata leaf extract: Phytochemical analysis, antioxidant activity, antibacterial properties, and green synthesis of ZnO nanoparticles for photocatalytic degradation of methylene blue Front. Chem. (IF 5.5) Pub Date : 2024-02-21 Abdelmalek Zaater, Mohammed Oualid Serhoud, Ilham Ben Amor, Soumeia Zeghoud, Amira Hemmami, Abdelkrim Rebiai, Yacine Bouras, Ammar Touhami Laiche, Ali Alsalme, David Cornu, Mikhael Bechelany, Ahmed Barhoum
Ephedra alata leaf extracts have therapeutic properties and contain various natural compounds known as phytochemicals. This study assessed the phytochemical content and antioxidant effects of a Ephedra alata leaf extract, as well as zinc oxide (ZnO) nanoparticle production. The extract contained phenolic acids, including vanillic acid, chlorogenic acid, gallic acid, p-coumaric acid, vanillin and rutin
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Binding mechanism of full-length Aβ40 peptide to a mixed lipid bilayer Front. Chem. (IF 5.5) Pub Date : 2024-02-21 Ke Wang, Wensheng Cai
The destructive effect of Aβ peptides on membranes is an important source of its cytotoxicity in the pathogenesis of Alzheimer’s disease. We have investigated the binding mechanism between the Aβ42 peptide and bilayer in our former work. However, as another abundant form of Aβ peptides in the physiological environment, the binding mechanism between Aβ40 peptide and the lipid bilayer still remains ambiguous
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Exploring the anticancer and antibacterial potential of naphthoquinone derivatives: a comprehensive computational investigation Front. Chem. (IF 5.5) Pub Date : 2024-02-21 Mehnaz Hossain Meem, Sumaiya Binte Yusuf, Sanaa S. Al Abbad, Shofiur Rahman, Mahmoud Al-Gawati, Hamad Albrithen, Abdullah N. Alodhayb, Kabir M. Uddin
This study investigates the potential of 2-(4-butylbenzyl)-3-hydroxynaphthalene-1,4-dione (11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin-resistant staphylococcus aureus using in silico methods. The study employed various computational methods, including molecular dynamics simulation molecular docking, density functional theory, and global chemical descriptors
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Autologous cryo-shocked neutrophils enable targeted therapy of sepsis via broad-spectrum neutralization of pro-inflammatory cytokines and endotoxins Front. Chem. (IF 5.5) Pub Date : 2024-02-21 Qiuxia Gao, Yan Yan, Jie Zhang, Xiaoxue Li, Jiamei Wang, Yi Feng, Peiran Li, Huanhuan Wang, Yunlong Zhang, Lingjie He, Zhiyan Shan, Bin Li
Background: Sepsis is a life-threatening disease characterized by multiple organ failure due to excessive activation of the inflammatory response and cytokine storm. Despite recent advances in the clinical use of anti-cytokine biologics, sepsis treatment efficacy and improvements in mortality remain unsatisfactory, largely due to the mechanistic complexity of immune regulation and cytokine interactions
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Enhancing the authenticity of animal by-products: harmonization of DNA extraction methods from novel ingredients Front. Chem. (IF 5.5) Pub Date : 2024-02-20 Andreia Filipa-Silva, Raquel Castro, Mariana Rebelo, Maria J. Mota, André Almeida, Luísa M. P. Valente, Sónia Gomes
Introduction: The increasing global pressure to explore alternative protein sources derived from animal by-products has opened-up opportunities, but it has also created the need to assess their compliance with labelling statements, to ensure consumer’s trust in the composition of both feed and food products. Assessing the authenticity of highly processed animal by-products, particularly within the
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Syntheses, reactivity, and biological applications of coumarins Front. Chem. (IF 5.5) Pub Date : 2024-02-19 Andrea Citarella, Serena Vittorio, Christian Dank, Laura Ielo
This comprehensive review, covering 2021–2023, explores the multifaceted chemical and pharmacological potential of coumarins, emphasizing their significance as versatile natural derivatives in medicinal chemistry. The synthesis and functionalization of coumarins have advanced with innovative strategies. This enabled the incorporation of diverse functional fragments or the construction of supplementary
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Choline chloride/urea as a green and efficient deep eutectic solvent in three-component and four-component synthesis of novel pyrazole and pyrano[2,3-c] pyrazole derivatives with antibacterial and antifungal activity Front. Chem. (IF 5.5) Pub Date : 2024-02-16 Israa Habeeb Naser, Hassan Thoulfikar A. Alamir, Ali Hisham Al-Shukarji, Batool Ali Ahmed, Talal Aziz Qassem, Maher Kamal, Tahani M. Almeleebia, Enas R. Alwaily, Eftikhaar Hasan Kadhum, Ahmed Alawadi, Ali Alsalamy
In this study, choline chloride/urea was used as a green deep eutectic solvent in the three-component reaction of hydrazine/phenylhydrazine, malononitrile, and aromatic aldehydes for synthesizing pyrazole derivatives, and in the four-component reaction of methyl/ethyl acetoacetate, hydrazine/phenylhydrazine, malononitrile, and aromatic aldehydes for synthesizing pyrano[2,3-c]pyrazole derivatives. Elemental
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Targeting NF-κB signaling cascades of glioblastoma by a natural benzophenone, garcinol, via in vitro and molecular docking approaches Front. Chem. (IF 5.5) Pub Date : 2024-02-16 Syed Mohd Danish Rizvi, Ibrahim A. Almazni, Mamdoh S. Moawadh, Zeyad M. Alharbi, Nawal Helmi, Leena S. Alqahtani, Talib Hussain, Ahmed Alafnan, Afrasim Moin, AbdElmoneim O. Elkhalifa, Amir Mahgoub Awadelkareem, Mohammad Khalid, Rohit Kumar Tiwari
Glioblastoma multiforme (GBM) is regarded as the most aggressive form of brain tumor delineated by high cellular heterogeneity; it is resistant to conventional therapeutic regimens. In this study, the anti-cancer potential of garcinol, a naturally derived benzophenone, was assessed against GBM. During the analysis, we observed a reduction in the viability of rat glioblastoma C6 cells at a concentration
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Construction methods and biomedical applications of PVA-based hydrogels Front. Chem. (IF 5.5) Pub Date : 2024-02-15 Yi Zhong, Qi Lin, Han Yu, Lei Shao, Xiang Cui, Qian Pang, Yabin Zhu, Ruixia Hou
Polyvinyl alcohol (PVA) hydrogel is favored by researchers due to its good biocompatibility, high mechanical strength, low friction coefficient, and suitable water content. The widely distributed hydroxyl side chains on the PVA molecule allow the hydrogels to be branched with various functional groups. By improving the synthesis method and changing the hydrogel structure, PVA-based hydrogels can obtain
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Porous organic polymers-based fluorescent chemosensors for Fe(III) ions-a functional mimic of siderophores Front. Chem. (IF 5.5) Pub Date : 2024-02-15 Binduja Mohan, Ananthu Shanmughan, Alenthwar Vamshi Krishna, Mannanthara Kunhumon Noushija, Deivasigamani Umadevi, Sankarasekaran Shanmugaraju
Extended organic polymers such as amorphous Covalent Organic Polymers (COPs) and crystalline Covalent Organic Frameworks (COFs) are emerging functional polymeric materials that have recently been shown promises as luminescent materials for chemosensing applications. A wide variety of luminescence COPs and COFs have been synthesized and successfully used as fluorescence-sensing materials for hazardous
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Chemical profiling of volatile compounds of the essential oil of grey-leaved rockrose (Cistus albidus L.) and its antioxidant, anti-inflammatory, antibacterial, antifungal, and anticancer activity in vitro and in silico Front. Chem. (IF 5.5) Pub Date : 2024-02-15 Amine Elbouzidi, Mohamed Taibi, Salah Laaraj, El Hassania Loukili, Mounir Haddou, Naoufal El Hachlafi, Hanae Naceiri Mrabti, Abdellah Baraich, Reda Bellaouchi, Abdeslam Asehraou, Mohammed Bourhia, Hiba-Allah Nafidi, Yousef A. Bin Jardan, Khalid Chaabane, Mohamed Addi
Cistus albidus: L., also known as Grey-leaved rockrose and locally addressed as šṭab or tûzzâla lbîḍa, is a plant species with a well-established reputation for its health-promoting properties and traditional use for the treatment of various diseases. This research delves into exploring the essential oil extracted from the aerial components of Cistus albidus (referred to as CAEO), aiming to comprehend
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Preparation and physicochemical characterization of whitlockite/PVA/Gelatin composite for bone tissue regeneration Front. Chem. (IF 5.5) Pub Date : 2024-02-14 Sadaf Batool, Usman Liaqat, Zakir Hussain
This work used a straightforward solvent casting approach to synthesize bone whitlockite (WH) based PVA/Gelatin composites. WH nanoparticles (NPs) were synthesized using the wet precipitation method, followed by their addition into the PVA/Gelatin matrix at concentrations from 1% to 10%. The physicochemical characterization of the prepared PVA/Gelatin/WH composite was carried out using ATR-FTIR, Optical
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Unveiling the contemporary progress of graphene-based nanomaterials with a particular focus on the removal of contaminants from water: a comprehensive review Front. Chem. (IF 5.5) Pub Date : 2024-02-14 Humira Assad, Imtiyaz Ahmad Lone, Alok Kumar, Ashish Kumar
Water scarcity and pollution pose significant challenges to global environmental sustainability and public health. As these concerns intensify, the quest for innovative and efficient water treatment technologies becomes paramount. In recent years, graphene-based nanomaterials have emerged as frontrunners in this pursuit, showcasing exceptional properties that hold immense promise for addressing water
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Synthesis, characterization, PXRD studies, and theoretical calculation of the effect of gamma irradiation and antimicrobial studies on novel Pd(II), Cu(II), and Cu(I) complexes Front. Chem. (IF 5.5) Pub Date : 2024-02-12 Safaa S. Hassan, Samar A. Aly, Ahlam I. Al-Sulami, Salwa A. H. Albohy, Mohamed F. Salem, Ghada M. Nasr, Ehab M. Abdalla
The main objective of this study is to synthesize and characterize of a new three complexes of Pd (II), Cu (II), and Cu (I) metal ions with novel ligand ((Z)-2-(phenylamino)-N'-(thiophen-2-ylmethylene)acetohydrazide) H2LB. The structural composition of new compounds was assessed using several analytical techniques including FT-IR, 1H-NMR, electronic spectra, powder X-ray diffraction, and thermal behavior
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Coumarin-transition metal complexes with biological activity: current trends and perspectives Front. Chem. (IF 5.5) Pub Date : 2024-02-12 Lozan T. Todorov, Irena P. Kostova
Coumarin (2H-1-benzopyran-2-one) presents the fundamental structure of an enormous class of biologically active compounds of natural, semi-synthetic, and synthetic origin. Extensive efforts are continually being put into the research and development of coumarin derivatives with medicinal properties by the broad scientific community. Transition metal coordination compounds with potential biological
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Probing long-lived radioactive isotopes on the double-logarithmic Segrè chart Front. Chem. (IF 5.5) Pub Date : 2024-02-12 Haitao Shang
Isotopes have been widely applied in a variety of scientific subjects; many aspects of isotopes, however, remain not well understood. In this study, I investigate the relation between the number of neutrons (N) and the number of protons (Z) in stable isotopes of non-radioactive elements and long-lived isotopes of radioactive elements at the double-linear scale (conventional Segrè chart) and the double-logarithmic
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Catalytic divergencies in the mechanism of L-arginine hydroxylating nonheme iron enzymes Front. Chem. (IF 5.5) Pub Date : 2024-02-09 Hafiz Saqib Ali, Sam P. de Visser
Many enzymes in nature utilize a free arginine (L-Arg) amino acid to initiate the biosynthesis of natural products. Examples include nitric oxide synthases, which generate NO from L-Arg for blood pressure control, and various arginine hydroxylases involved in antibiotic biosynthesis. Among the groups of arginine hydroxylases, several enzymes utilize a nonheme iron(II) active site and let L-Arg react