-
Engineering of Co3O4 electrode via Ni and Cu-doping for supercapacitor application Front. Chem. (IF 5.5) Pub Date : 2024-04-18 Ababay Ketema Worku, Alemu Asfaw, Delele Worku Ayele
Although cobalt oxides show great promise as supercapacitor electrode materials, their slow kinetics and low conductivity make them unsuitable for widespread application. We developed Ni and Cu-doped Co3O4 nanoparticles (NPs) via a simple chemical co-precipitation method without the aid of a surfactant. The samples were analyzed for their composition, function group, band gap, structure/morphology
-
Fragment-based drug discovery for disorders of the central nervous system: designing better drugs piece by piece Front. Chem. (IF 5.5) Pub Date : 2024-04-18 Bill W. G. L. Chan, Nicholas B. Lynch, Wendy Tran, Jack M. Joyce, G. Paul Savage, Wim Meutermans, Andrew P. Montgomery, Michael Kassiou
Fragment-based drug discovery (FBDD) has emerged as a powerful strategy to confront the challenges faced by conventional drug development approaches, particularly in the context of central nervous system (CNS) disorders. FBDD involves the screening of libraries that comprise thousands of small molecular fragments, each no greater than 300 Da in size. Unlike the generally larger molecules from high-throughput
-
Lab-on-a-molecule and multi-analyte sensing Front. Chem. (IF 5.5) Pub Date : 2024-04-18 David C. Magri
The concept of a lab-on-a-molecule, which was proposed just short of two decades ago, has captured the imagination of scientists. From originally being proposed as an AND logic gate driven by three chemical inputs as a direct way of detecting congregations of chemical species, the definition of what constitutes a lab-on-a-molecule has broadened over the years. In this review, molecules that can detect
-
The prediction of two-dimensional PbN: opened bandgap in heterostructure with CdO Front. Chem. (IF 5.5) Pub Date : 2024-04-18 Zhang Cheng, Yuelei Wang, Ruxin Zheng, Weihua Mu
The development of two-dimensional (2D) materials has received wide attention as a generation of optoelectronics, thermoelectric, and other applications. In this study, a novel 2D material, PbN, is proposed as an elemental method using the prototype of a recent reported nitride (J. Phys. Chem. C 2023, 127, 43, 21,006–21014). Based on first-principle calculations, the PbN monolayer is investigated as
-
Single-component organic solar cells—Perspective on the importance of chemical precision in conjugated block copolymers Front. Chem. (IF 5.5) Pub Date : 2024-04-17 Dries Theunissen, Sander Smeets, Wouter Maes
Organic photovoltaics (OPV) present a promising thin-film solar cell technology with particular benefits in terms of weight, aesthetics, transparency, and cost. However, despite being studied intensively since the mid 90's, OPV has not entered the mass consumer market yet. Although the efficiency gap with other thin-film photovoltaics has largely been overcome, active layer stability and performance
-
Acyl pyrazole sulfonamides as new antidiabetic agents: synthesis, glucosidase inhibition studies, and molecular docking analysis Front. Chem. (IF 5.5) Pub Date : 2024-04-17 Atteeque Ahmed, Sumera Zaib, Mashooq Ahmad Bhat, Aamer Saeed, Muhammad Zain Altaf, Fatima Tuz Zahra, Ghulam Shabir, Nehal Rana, Imtiaz Khan
Diabetes mellitus is a multi-systematic chronic metabolic disorder and life-threatening disease resulting from impaired glucose homeostasis. The inhibition of glucosidase, particularly α-glucosidase, could serve as an effective methodology in treating diabetes. Attributed to the catalytic function of glucosidase, the present research focuses on the synthesis of sulfonamide-based acyl pyrazoles (5a-k)
-
Development of rapid nucleic acid testing techniques for common respiratory infectious diseases in the Chinese population Front. Chem. (IF 5.5) Pub Date : 2024-04-17 Shenshen Zhi, Wenyan Wu, Yan Ding, Yuanyuan Zhang, Liyan Pan, Guo Liu, Wei Li
Background: Most respiratory viruses can cause serious lower respiratory diseases at any age. Therefore, timely and accurate identification of respiratory viruses has become even more important. This study focused on the development of rapid nucleic acid testing techniques for common respiratory infectious diseases in the Chinese population.Methods: Multiplex fluorescent quantitative polymerase chain
-
Anti-inflammatory activity of d-pinitol possibly through inhibiting COX-2 enzyme: in vivo and in silico studies Front. Chem. (IF 5.5) Pub Date : 2024-04-16 Mst. Farjanamul Haque, Heba A. S. El-Nashar, Md. Showkoth Akbor, Mohammed Alfaifi, Mehedi Hasan Bappi, Afsana Kabir Chowdhury, Muhammad Kamal Hossain, Mohamed El-Shazly, Tala Albayouk, Na’il Saleh, Muhammad Torequl Islam
Introduction: D-pinitol, a naturally occurring inositol, has diverse biological activities like antioxidant, antimicrobial and anticancer activities. This study aimed to evaluate anti-inflammatory effect of d-pinitol in a chick model. Additionally, in silico studies were performed to evaluate the molecular interactions with cyclooxygenase-2 (COX-2).Methods: The tested groups received d-pinitol (12
-
Discovery of novel melatonin–mydroxyquinoline hybrids as multitarget strategies for Alzheimer’s disease therapy Front. Chem. (IF 5.5) Pub Date : 2024-04-16 Wei Wang, Tingting Pan, Rui Su, Mingbin Chen, Wandi Xiong, Congjun Xu, Ling Huang
Alzheimer’s disease (AD) is a neurodegenerative disease that seriously affects human health, and current treatment strategies are far from meeting clinical needs. Inspired by multi-target drug design strategies, a series of novel natural products-based melatonin–hydroxyquinoline hybrids were designed and synthesized, targeting anti-oxidation and metal-chelating at the same time. Most of the compounds
-
Integration of the Butina algorithm and ensemble learning strategies for the advancement of a pharmacophore ligand-based model: an in silico investigation of apelin agonists Front. Chem. (IF 5.5) Pub Date : 2024-04-16 Xuan-Truc Dinh Tran, Tieu-Long Phan, Van-Thinh To, Ngoc-Vi Nguyen Tran, Nhu-Ngoc Song Nguyen, Dong-Nghi Hoang Nguyen, Ngoc-Tam Nguyen Tran, Tuyen Ngoc Truong
Introduction: 3D pharmacophore models describe the ligand’s chemical interactions in their bioactive conformation. They offer a simple but sophisticated approach to decipher the chemically encoded ligand information, making them a valuable tool in drug design.Methods: Our research summarized the key studies for applying 3D pharmacophore models in virtual screening for 6,944 compounds of APJ receptor
-
High-pressure high-temperature synthesis of NdRe2 Front. Chem. (IF 5.5) Pub Date : 2024-04-16 Zain Hussein, Nazanin Kazemiasl, Kenan Hussaini, Lia Vaquero, Olga Barkova, Vadym Drozd, Stella Chariton, Vitali Prakapenka, Irina Chuvashova
In this study, we report the synthesis of a new cubic neodymium-rhenium metallic alloy NdRe2 through the utilization of high pressure and laser heating in a diamond anvil cell. NdRe2 crystallizes in the Fd3¯m space group with a lattice parameter equal to 7.486 (2) Å and Z = 8 at 24 (1) GPa and 2,200 (100) K. It was studied using high-pressure single-crystal X-ray diffraction. The compound crystallizes
-
Study on the electrical-thermal properties of lithium-ion battery materials in the NCM622/graphite system Front. Chem. (IF 5.5) Pub Date : 2024-04-12 Hao Li, Xv Wu, Sheng Fang, Mei Liu, Shansong Bi, Ting Zhao, Xiangjun Zhang
The phenomenon of fire or even explosion caused by thermal runaway of lithium-ion power batteries poses a serious threat to the safety of electric vehicles. An in-depth study of the core-material thermal runaway reaction mechanism and reaction chain is a prerequisite for proposing a mechanism to prevent battery thermal runaway and enhance battery safety. In this study, based on a 24 Ah commercial Li(Ni0
-
Antioxidant potential of alkaloids and polyphenols of Viola canescens wall using in vitro and in silico approaches Front. Chem. (IF 5.5) Pub Date : 2024-04-12 Imtiaz Ahmad, Pin-Jui Huang, Nosheen Malak, Adil Khan, Fayaz Asad, Chien-Chin Chen
Background:V. canescens Wall, a plant renowned for its ethno-medical properties, was investigated in this study for its antioxidant potential based on its wide therapeutic applications in traditional healthcare systems. The study aimed to assess the antioxidant potential of the plant extract/fractions and to predict the active phytochemicals using computational techniques.Methods: Five fractions were
-
Investigation of metal ion binding biomolecules one molecule at a time Front. Chem. (IF 5.5) Pub Date : 2024-04-12 Micaela de la Torre, Adam Pomorski
Metal ions can perform multiple roles ranging from regulatory to structural and are crucial for cell function. While some metal ions like Na+ are ubiquitously present at high concentrations, other ions, especially Ca2+ and transition metals, such as Zn2+ or Cu+/2+ are regulated. The concentrations above or below the physiological range cause severe changes in the behavior of biomolecules that bind
-
Study of andrographolide bioactivity against Pseudomonas aeruginosa based on computational methodology and biochemical analysis Front. Chem. (IF 5.5) Pub Date : 2024-04-12 Lihui He, Lai Song, Xuanhao Li, Shibo Lin, Guodong Ye, Huanxiang Liu, Xiaotian Zhao
Andrographolide is one of the main biologically active molecules isolated from Andrographis paniculata (A. paniculata), which is a traditional Chinese herb used extensively throughout Eastern Asia, India, and China. Pseudomonas aeruginosa, often known as P. aeruginosa, is a common clinical opportunistic pathogen with remarkable adaptability to harsh settings and resistance to antibiotics. P. aeruginosa
-
A unique choline nitrate-based organo-aqueous electrolyte enables carbon/carbon supercapacitor operation in a wide temperature window (−40°C to 60°C) Front. Chem. (IF 5.5) Pub Date : 2024-04-11 Zhazira Supiyeva, Zulkhair Mansurov, Seitkhan Azat, Qamar Abbas
Some drawbacks of aqueous electrolytes, such as freezing at low temperatures and extensive evaporation at high temperatures, restrict their industrial viability. This article introduces a stabilized neutral aqueous choline nitrate electrolyte with a 10 vol.% methanol additive that improves the temperature stability of the electrolyte via enhanced hydrogen bonding with the choline cation and water and
-
Biological activity of the essential oil of Drimys winteri Front. Chem. (IF 5.5) Pub Date : 2024-04-11 Myriam Navarro, Felipe Urrejola, Misael Espinoza, Simón Silva, Sebastián González, Diego Utreras, Katia Fernandez, Jessica Bravo
In the Chilean indigenous culture, the tree Drimys winteri (Winteraceae) Canelo is of great importance and is considered the sacred Mapuche tree. It has antibacterial and disinfectant properties and is used in the treatment of various diseases, such as fevers, ulcers, cancers, and respiratory tract problems. The essential oil obtained from D. winteri, DW_EO, is bioactive, possesses insecticidal and
-
Chitosan nanoparticle applications in dentistry: a sustainable biopolymer Front. Chem. (IF 5.5) Pub Date : 2024-04-10 Roma Mascarenhas, Shreya Hegde, Nidhi Manaktala
The epoch of Nano-biomaterials and their application in the field of medicine and dentistry has been long-lived. The application of nanotechnology is extensively used in diagnosis and treatment aspects of oral diseases. The nanomaterials and its structures are being widely involved in the production of medicines and drugs used for the treatment of oral diseases like periodontitis, oral carcinoma, etc
-
Qualitative and quantitative chemical analysis of Leptadenia hastata: exploring a traditional african medicinal plant Front. Chem. (IF 5.5) Pub Date : 2024-04-08 Jiangsheng Zhang, Yi Nan, Jie Su, Aminu Usman Jibril, Guiyuan Lv
Leptadenia hastata (Pers.) Decne is a commonly used food source and prescribed as a traditional African medicine for treatment of various diseases, such as diabetes, skin disorders, wounds, and ulcers. However, quality control has become a bottleneck restricting the therapeutic development and utilization of this plant. In this study, a reliable method for qualitative and quantitative determination
-
Lithium-ion battery second life: pathways, challenges and outlook Front. Chem. (IF 5.5) Pub Date : 2024-04-08 Anisha N. Patel, Laura Lander, Jyoti Ahuja, James Bulman, James K. H. Lum, Julian O. D. Pople, Alastair Hales, Yatish Patel, Jacqueline S. Edge
Net zero targets have resulted in a drive to decarbonise the transport sector worldwide through electrification. This has, in turn, led to an exponentially growing battery market and, conversely, increasing attention on how we can reduce the environmental impact of batteries and promote a more efficient circular economy to achieve real net zero. As these batteries reach the end of their first life
-
Exploring the multifaceted bioactivities of Lavandula pinnata L. essential oil: promising pharmacological activities Front. Chem. (IF 5.5) Pub Date : 2024-04-08 Mounir Haddou, Amine Elbouzidi, Mohamed Taibi, Abdellah Baraich, El Hassania Loukili, Reda Bellaouchi, Ennouaamane Saalaoui, Abdeslam Asehraou, Ahmad Mohammad Salamatullah, Mohammed Bourhia, Hiba-Allah Nafidi, Mohamed Addi, Bouchra El Guerrouj, Khalid Chaabane
Introduction: This study investigates the biological activities of Lavandula pinnata essential oil (LPEO), an endemic lavender species from the Canary Islands, traditionally used in treating various ailments.Methods: LPEO was extracted by hydrodistillation and analyzed using GC-MS. Antioxidant activity was assessed by DPPH radical scavenging and total antioxidant capacity assays. Antimicrobial activity
-
Economy of scale for green hydrogen-derived fuel production in Nepal Front. Chem. (IF 5.5) Pub Date : 2024-04-08 Biraj Singh Thapa, Bishnu Pandey, Rahul Ghimire
Opportunity for future green hydrogen development in Nepal comes with end-use infrastructural challenges. The heavy reliance of industries on fossil fuels (63.4%) despite the abundance of hydroelectricity poses an additional challenge to the green transition of Nepal. The presented work aims to study the possibility of storing and utilizing spilled hydroelectricity due to runoff rivers as a compatible
-
Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies Front. Chem. (IF 5.5) Pub Date : 2024-04-04
This study presents a comprehensive structural analysis of the adducts formed upon the reaction of two Ru(III) complexes [HIsq][trans-RuIIICl4(dmso)(Isq)] (1) and [H2Ind][trans-RuIIICl4(dmso)(HInd)] (2) (where HInd–indazole, Isq–isoquinoline, analogs of NAMI-A) and two Ru(II) complexes, cis-[RuCl2(dmso)4] (c) and trans-[RuCl2(dmso)4] (t), with hen-egg white lysozyme (HEWL). Additionally, the crystal
-
Magnetic-driven hydrogel microrobots for promoting osteosarcoma chemo-therapy with synthetic lethality strategy Front. Chem. (IF 5.5) Pub Date : 2024-04-04
The advancements in the field of micro-robots for drug delivery systems have garnered considerable attention. In contrast to traditional drug delivery systems, which are dependent on blood circulation to reach their target, these engineered micro/nano robots possess the unique ability to navigate autonomously, thereby enabling the delivery of drugs to otherwise inaccessible regions. Precise drug delivery
-
Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV Front. Chem. (IF 5.5) Pub Date : 2024-04-04
ReAV, the inducible Class-3 L-asparaginase from the nitrogen-fixing symbiotic bacterium Rhizobium etli, is an interesting candidate for optimizing its enzymatic potential for antileukemic applications. Since it has no structural similarity to known enzymes with this activity, it may offer completely new ways of approach. Also, as an unrelated protein, it would evade the immunological response elicited
-
Integration of Wnt-inhibitory activity and structural novelty scoring results to uncover novel bioactive natural products: new Bicyclo[3.3.1]non-3-ene-2,9-diones from the leaves of Hymenocardia punctata Front. Chem. (IF 5.5) Pub Date : 2024-04-04
In natural products (NPs) research, methods for the efficient prioritization of natural extracts (NEs) are key for discovering novel bioactive NPs. In this study a biodiverse collection of 1,600 NEs, previously analyzed by UHPLC-HRMS2 metabolite profiling was screened for Wnt pathway regulation. The results of the biological screening drove the selection of a subset of 30 non-toxic NEs with an inhibitory
-
Exploring theophylline-1,2,4-triazole tethered N-phenylacetamide derivatives as antimicrobial agents: unraveling mechanisms via structure-activity relationship, in vitro validation, and in silico insights Front. Chem. (IF 5.5) Pub Date : 2024-04-05
Theophylline, a nitrogen-containing heterocycle, serves as a promising focal point for medicinal researchers aiming to create derivatives with diverse pharmacological applications. In this work, we present an improved synthetic method for a range of theophylline-1,2,4-triazole-S-linked N-phenyl acetamides (4a‒g) utilizing ultrasound-assisted synthetic approach. The objective was to assess the effectiveness
-
Exploring theophylline-1,2,4-triazole tethered N-phenylacetamide derivatives as antimicrobial agents: unraveling mechanisms via structure-activity relationship, in vitro validation, and in silico insights Front. Chem. (IF 5.5) Pub Date : 2024-04-05 Sadaf Saeed, Irum Shahzadi, Ameer Fawad Zahoor, Aamal A. Al-Mutairi, Shagufta Kamal, Shah Faisal, Ali Irfan, Sami A. Al-Hussain, Muhammed Tilahun Muhammed, Magdi E. A. Zaki
Theophylline, a nitrogen-containing heterocycle, serves as a promising focal point for medicinal researchers aiming to create derivatives with diverse pharmacological applications. In this work, we present an improved synthetic method for a range of theophylline-1,2,4-triazole-S-linked N-phenyl acetamides (4a‒g) utilizing ultrasound-assisted synthetic approach. The objective was to assess the effectiveness
-
Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV Front. Chem. (IF 5.5) Pub Date : 2024-04-04 Kinga Pokrywka, Marta Grzechowiak, Joanna Sliwiak, Paulina Worsztynowicz, Joanna I. Loch, Milosz Ruszkowski, Miroslaw Gilski, Mariusz Jaskolski
ReAV, the inducible Class-3 L-asparaginase from the nitrogen-fixing symbiotic bacterium Rhizobium etli, is an interesting candidate for optimizing its enzymatic potential for antileukemic applications. Since it has no structural similarity to known enzymes with this activity, it may offer completely new ways of approach. Also, as an unrelated protein, it would evade the immunological response elicited
-
Integration of Wnt-inhibitory activity and structural novelty scoring results to uncover novel bioactive natural products: new Bicyclo[3.3.1]non-3-ene-2,9-diones from the leaves of Hymenocardia punctata Front. Chem. (IF 5.5) Pub Date : 2024-04-04 Luis-Manuel Quiros-Guerrero, Laurence Marcourt, Nathareen Chaiwangrach, Alexey Koval, Emerson Ferreira Queiroz, Bruno David, Antonio Grondin, Vladimir L. Katanaev, Jean-Luc Wolfender
In natural products (NPs) research, methods for the efficient prioritization of natural extracts (NEs) are key for discovering novel bioactive NPs. In this study a biodiverse collection of 1,600 NEs, previously analyzed by UHPLC-HRMS2 metabolite profiling was screened for Wnt pathway regulation. The results of the biological screening drove the selection of a subset of 30 non-toxic NEs with an inhibitory
-
Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies Front. Chem. (IF 5.5) Pub Date : 2024-04-04 Maria Oszajca, Monika Flejszar, Arkadiusz Szura, Patrycja Dróżdż, Małgorzata Brindell, Katarzyna Kurpiewska
This study presents a comprehensive structural analysis of the adducts formed upon the reaction of two Ru(III) complexes [HIsq][trans-RuIIICl4(dmso)(Isq)] (1) and [H2Ind][trans-RuIIICl4(dmso)(HInd)] (2) (where HInd–indazole, Isq–isoquinoline, analogs of NAMI-A) and two Ru(II) complexes, cis-[RuCl2(dmso)4] (c) and trans-[RuCl2(dmso)4] (t), with hen-egg white lysozyme (HEWL). Additionally, the crystal
-
Magnetic-driven hydrogel microrobots for promoting osteosarcoma chemo-therapy with synthetic lethality strategy Front. Chem. (IF 5.5) Pub Date : 2024-04-04 Yining Tao, Leike Li, Xiyu Yang, Shiyu Yin, Zhanxiang Zhang, Haoyu Wang, Ruochen Pu, Zongyi Wang, Qi Zhang, Haoran Mu, Chenqiong Wu, Jin He, Liu Yang
The advancements in the field of micro-robots for drug delivery systems have garnered considerable attention. In contrast to traditional drug delivery systems, which are dependent on blood circulation to reach their target, these engineered micro/nano robots possess the unique ability to navigate autonomously, thereby enabling the delivery of drugs to otherwise inaccessible regions. Precise drug delivery
-
Luminescent Ln3+-based silsesquioxanes with a β-diketonate antenna ligand: toward the design of efficient temperature sensors Front. Chem. (IF 5.5) Pub Date : 2024-04-03
We report the synthesis and single-crystal X-ray diffraction, magnetic, and luminescence measurements of a novel family of luminescent cage-like tetranuclear silsesquioxanes (PhSiO1.5)8(LnO1.5)4(O)(C5H8O2)6(EtOH)2(CH3CN)2⋅2CH3CN (where Ln = Tb, 1; Tb/Eu, 2; and Gd, 3), featuring seven-coordinated lanthanide ions arranged in a one-capped trigonal prism geometry. Compounds 1 and 2 exhibit characteristic
-
Broad-spectrum pH functional chitosan–phosphatase beads for the generation of plant-available phosphorus: utilizing the insoluble P pool Front. Chem. (IF 5.5) Pub Date : 2024-04-03
Utilization of organic phosphates and insoluble phosphates for the gradual generation of plant-available phosphorus (P) is the only sustainable solution for P fertilization. Enzymatic conversions are one of the best sustainable routes for releasing P to soil. Phosphatase enzyme aids in solubilizing organic and insoluble phosphates to plant-available P. We herein report the preparation of highly functional
-
Recent advances in ternary Z-scheme photocatalysis on graphitic carbon nitride based photocatalysts Front. Chem. (IF 5.5) Pub Date : 2024-04-03
Due to its excellent photocatalytic performance over the last few years, graphitic-like carbon nitride (g-C3N4) has garnered considerable notice as a photocatalyst. Nevertheless, several limitations, including small surface area, the rates at which photo-generated electrons and holes recombine are swift, and the inefficient separation and transport of photoexcited carriers continue to impede its solar
-
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study Front. Chem. (IF 5.5) Pub Date : 2024-04-03
Introduction: The significance of automated drug design using virtual generative models has steadily grown in recent years. While deep learning-driven solutions have received growing attention, only a few modern AI-assisted generative chemistry platforms have demonstrated the ability to produce valuable structures. At the same time, virtual fragment-based drug design, which was previously less popular
-
Recent advances in ternary Z-scheme photocatalysis on graphitic carbon nitride based photocatalysts Front. Chem. (IF 5.5) Pub Date : 2024-04-03 Dantong Zhou, Dongxiang Li, Zhi Chen
Due to its excellent photocatalytic performance over the last few years, graphitic-like carbon nitride (g-C3N4) has garnered considerable notice as a photocatalyst. Nevertheless, several limitations, including small surface area, the rates at which photo-generated electrons and holes recombine are swift, and the inefficient separation and transport of photoexcited carriers continue to impede its solar
-
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study Front. Chem. (IF 5.5) Pub Date : 2024-04-03 Sergei Evteev, Yan Ivanenkov, Ivan Semenov, Maxim Malkov, Olga Mazaleva, Artem Bodunov, Dmitry Bezrukov, Denis Sidorenko, Victor Terentiev, Alex Malyshev, Bogdan Zagribelnyy, Anastasia Korzhenevskaya, Alex Aliper, Alex Zhavoronkov
Introduction: The significance of automated drug design using virtual generative models has steadily grown in recent years. While deep learning-driven solutions have received growing attention, only a few modern AI-assisted generative chemistry platforms have demonstrated the ability to produce valuable structures. At the same time, virtual fragment-based drug design, which was previously less popular
-
Luminescent Ln3+-based silsesquioxanes with a β-diketonate antenna ligand: toward the design of efficient temperature sensors Front. Chem. (IF 5.5) Pub Date : 2024-04-03 Gautier Félix, Alena N. Kulakova, Saad Sene, Victor N. Khrustalev, Miguel A. Hernández-Rodríguez, Elena S. Shubina, Tristan Pelluau, Luís D. Carlos, Yannick Guari, Albano N. Carneiro Neto, Alexey N. Bilyachenko, Joulia Larionova
We report the synthesis and single-crystal X-ray diffraction, magnetic, and luminescence measurements of a novel family of luminescent cage-like tetranuclear silsesquioxanes (PhSiO1.5)8(LnO1.5)4(O)(C5H8O2)6(EtOH)2(CH3CN)2⋅2CH3CN (where Ln = Tb, 1; Tb/Eu, 2; and Gd, 3), featuring seven-coordinated lanthanide ions arranged in a one-capped trigonal prism geometry. Compounds 1 and 2 exhibit characteristic
-
Broad-spectrum pH functional chitosan–phosphatase beads for the generation of plant-available phosphorus: utilizing the insoluble P pool Front. Chem. (IF 5.5) Pub Date : 2024-04-03 Kasturika Konwar, Himanku Boruah, Rimjim Gogoi, Anudhriti Boruah, Arup Borgohain, Madhusmita Baruah, Subham Protim Gogoi, Tanmoy Karak, Jiban Saikia
Utilization of organic phosphates and insoluble phosphates for the gradual generation of plant-available phosphorus (P) is the only sustainable solution for P fertilization. Enzymatic conversions are one of the best sustainable routes for releasing P to soil. Phosphatase enzyme aids in solubilizing organic and insoluble phosphates to plant-available P. We herein report the preparation of highly functional
-
Deep eutectic solvent-based shaking-assisted extraction for determination of bioactive compounds from Norway spruce roots Front. Chem. (IF 5.5) Pub Date : 2024-04-02
Polyphenolic compounds play an essential role in plant growth, reproduction, and defense mechanisms against pathogens and environmental stresses. Extracting these compounds is the initial step in assessing phytochemical changes, where the choice of extraction method significantly influences the extracted analytes. However, due to environmental factors, analyzing numerous samples is necessary for statistically
-
Efficacy and classification of Sesamum indicum linn seeds with Rosa damascena mill oil in uncomplicated pelvic inflammatory disease using machine learning Front. Chem. (IF 5.5) Pub Date : 2024-04-02
Background and objectives: As microbes are developing resistance to antibiotics, natural, botanical drugs or traditional herbal medicine are presently being studied with an eye of great curiosity and hope. Hence, complementary and alternative treatments for uncomplicated pelvic inflammatory disease (uPID) are explored for their efficacy. Therefore, this study determined the therapeutic efficacy and
-
Deep eutectic solvent-based shaking-assisted extraction for determination of bioactive compounds from Norway spruce roots Front. Chem. (IF 5.5) Pub Date : 2024-04-02 Alina Kalyniukova, Alica Várfalvyová, Justyna Płotka-Wasylka, Tomasz Majchrzak, Patrycja Makoś-Chełstowska, Ivana Tomášková, Vítězslava Pešková, Filip Pastierovič, Anna Jirošová, Vasil Andruch
Polyphenolic compounds play an essential role in plant growth, reproduction, and defense mechanisms against pathogens and environmental stresses. Extracting these compounds is the initial step in assessing phytochemical changes, where the choice of extraction method significantly influences the extracted analytes. However, due to environmental factors, analyzing numerous samples is necessary for statistically
-
A minireview on covalent organic frameworks as stationary phases in chromatography Front. Chem. (IF 5.5) Pub Date : 2024-03-28 Raquel Gavara, Sergio Royuela, Félix Zamora
Advances in the design of novel porous materials open new avenues for the development of chromatographic solid stationary phases. Covalent organic frameworks (COFs) are promising candidates in this context due to their remarkable structural versatility and exceptional chemical and textural properties. In this minireview, we summarize the main strategies followed in recent years to apply these materials
-
Microelement strontium and human health: comprehensive analysis of the role in inflammation and non-communicable diseases (NCDs) Front. Chem. (IF 5.5) Pub Date : 2024-03-28 Xin Ru, Lida Yang, Guohui Shen, Kunzhen Wang, Zihan Xu, Wenbo Bian, Wenqi Zhu, Yanzhi Guo
Strontium (Sr), a trace element with a long history and a significant presence in the Earth’s crust, plays a critical yet often overlooked role in various biological processes affecting human health. This comprehensive review explores the multifaceted implications of Sr, especially in the context of non-communicable diseases (NCDs) such as cardiovascular diseases, osteoporosis, hypertension, and diabetes
-
Inhibition of corrosion on API 5L X52 pipeline steel in acid media by Tradescantia spathacea Front. Chem. (IF 5.5) Pub Date : 2024-03-28 Adriana Rodríguez-Torres, María Guadalupe Valladares-Cisneros, German Chávez-Díaz, Víctor Martínez-Calzada, Alonso Saldaña-Heredia
The concentration effect of Tradescantia spathacea (T. spathacea) as corrosion inhibitor of API 5L X52 steel in 0.5 M of H2SO4 was studied here through electrochemical and gravimetric techniques. To achieve it, samples of the material were prepared to be submitted to each of the tests. Results from electrochemical impedance spectroscopy (EIS) showed that there was an optimum concentration of the inhibitor
-
HSA-nanobinders crafted from bioresponsive prodrugs for combined cancer chemoimmunotherapy–an in vitro exploration Front. Chem. (IF 5.5) Pub Date : 2024-03-27 Matilde Tubertini, Luca Menilli, Celeste Milani, Cecilia Martini, Maria Luisa Navacchia, Marta Nugnes, Manuela Bartolini, Marina Naldi, Daniele Tedesco, Elisa Martella, Andrea Guerrini, Claudia Ferroni, Francesca Moret, Greta Varchi
Introduction: Triple-negative breast cancer (TNBC) is an aggressive subtype of breast cancer still lacking effective treatment options. Chemotherapy in combination with immunotherapy can restrict tumor progression and repolarize the tumor microenvironment towards an anti-tumor milieu, improving clinical outcome in TNBC patients. The chemotherapeutic drug paclitaxel has been shown to induce immunogenic
-
Life cycle assessment of iron-biomass supported catalyst for Fischer Tropsch synthesis Front. Chem. (IF 5.5) Pub Date : 2024-03-27 Muhammad Amin, Hamad Hussain Shah, Abdul Basit Naveed, Amjad Iqbal, Yaser Gamil, Taoufik Najeh
The iron-based biomass-supported catalyst has been used for Fischer-Tropsch synthesis (FTS). However, there is no study regarding the life cycle assessment (LCA) of biomass-supported iron catalysts published in the literature. This study discusses a biomass-supported iron catalyst’s LCA for the conversion of syngas into a liquid fuel product. The waste biomass is one of the source of activated carbon
-
Self-assembled core-shell nanoparticles with embedded internal standards for SERS quantitative detection and identification of nicotine released from snus products Front. Chem. (IF 5.5) Pub Date : 2024-03-27 Yongfeng Tian, Lu Zhao, Xiaofeng Shen, Shanzhai Shang, Yonghua Pan, Gaofeng Dong, Wang Huo, Donglai Zhu, Xianghu Tang
Surface enhanced Raman spectroscopy (SERS) is a unique analytical technique with excellent performance in terms of sensitivity, non-destructive detection and resolution. However, due to the randomness and poor repeatability of hot spot distribution, SERS quantitative analysis is still challenging. Meanwhile, snus is a type of tobacco product that can release nicotine and other components in the mouth
-
DNA minicircles capable of forming a variety of non-canonical structural motifs Front. Chem. (IF 5.5) Pub Date : 2024-03-26 Lukáš Trizna, Jakub Olajoš, Viktor Víglaský
Although more than 10% of the human genome has the potential to fold into non-B DNA, the formation of non-canonical structural motifs as part of long dsDNA chains are usually considered as unfavorable from a thermodynamic point of view. However, recent experiments have confirmed that non-canonical motifs do exist and are non-randomly distributed in genomic DNA. This distribution is highly dependent
-
Advances in the production of biosurfactants as green ingredients in home and personal care products Front. Chem. (IF 5.5) Pub Date : 2024-03-26 Makary Nasser, Malvika Sharma, Guneet Kaur
Home and personal care industry is currently witnessing a growing demand for sustainable and eco-friendly alternatives to synthetic surfactants. This increase is fueled by concerns over the delayed degradation and environmental impact of the latter. To this, biosurfactants possess important properties such as biodegradability, low toxicity, and renewable sourcing. These qualities position them as compelling
-
Photoinduced radical tandem annulation of 1,7-diynes: an approach for divergent assembly of functionalized quinolin-2(1H)-ones Front. Chem. (IF 5.5) Pub Date : 2024-03-26 Daixiang Chen, Zhi-Jie Song, Shenghu Yan, Guigen Li, Jia-Yin Wang, Yue Zhang
The first photocatalytic trichloromethyl radical-triggered annulative reactions of amide-linked 1,7-diynes with polyhalomethanes were established for the flexible assembly of functionalized quinolin-2(1H)-ones with generally acceptable yields. With the installation of the aryl group (R1) into the alkynyl moiety, C-center radical-initiated Kharasch-type addition/nucleophilic substitution/elimination
-
Proflavine (PFH+): as a photosensitizer (PS) biocatalyst for the visible-light-induced synthesis of pyrano [2,3-d] pyrimidine scaffolds Front. Chem. (IF 5.5) Pub Date : 2024-03-26 Farzaneh Mohamadpour, Ali Mohammad Amani
A sustainable methodology for the synthesis of pyrano [2,3-d] pyrimidine scaffolds have been developed, employing the Knoevenagel-Michael tandem cyclocondensation reaction of barbituric acid/1,3-dimethylbarbituric acid, malononitrile, and aryl aldehydes. This study elucidates the advancement of a sustainable and environmentally conscious approach to synthesizing this category of chemical compounds
-
Model of the external force field for the protein folding process—the role of prefoldin Front. Chem. (IF 5.5) Pub Date : 2024-03-26 Irena Roterman, Katarzyna Stapor, Leszek Konieczny
Introduction: The protein folding process is very sensitive to environmental conditions. Many possibilities in the form of numerous pathways for this process can—if an incorrect one is chosen—lead to the creation of forms described as misfolded. The aqueous environment is the natural one for the protein folding process. Nonetheless, other factors such as the cell membrane and the presence of specific
-
Synthesis under high pressure: crystal structure and properties of cubic Dy36O11F50[AsO3]12 ∙ H2O Front. Chem. (IF 5.5) Pub Date : 2024-03-26 Felix Christian Goerigk, Ralf Jules Christian Locke, Thomas Schleid
The multi-anionic compound with the composition Dy36O11F50[AsO3]12 ∙ H2O, which can be described in the non-centrosymmetric cubic space group F4¯3c, already shows an unusually large unit cell with an axis of a = 2587.59(14) pm. Its crystal structure exhibits isolated ψ1-tetrahedral [AsO3]3– anions, but both the coordination numbers and the linking schemes of the Dy3+-centered polyhedra differ significantly
-
Investigation of the leaching behavior of Na and Si in simulated HLW borosilicate glass obtained from the waste of a 1000 MWe class PWR reactor: using the response surface method Front. Chem. (IF 5.5) Pub Date : 2024-03-25 Mohammad Hosseinpour Khanmiri, Ali Yadollahi, Mohammad Samadfam, Hamid Sepehrian, Mohammad Outokesh
The immobilization of high-level nuclear waste (HLW) in glass waste matrices provides the key safety function of slowing down radionuclide emissions from an underground disposal site. This study examines the leaching behavior of two major elements, Na and Si, in HLW borosilicate glass simulated from waste of a 1000 MWe class pressurized water reactor (PWR) using response surface methodology and Box-Behnken
-
Ultrafast spin-flip exciton conversion and narrowband sky-blue luminescence in a fused polycyclic selenaborin emitter Front. Chem. (IF 5.5) Pub Date : 2024-03-25 Sudhir K. Keshri, Guanting Liu, Takuma Yasuda
Thermally activated delayed fluorescence (TADF) materials with high photoluminescence quantum yields and fast reverse intersystem crossing (RISC) capabilities are highly desirable for applications in high-efficiency organic light-emitting diodes. Herein, we report the synthesis as well as structural and photophysical properties of 5,9-diselena-13b-boranaphtho[3,2,1-de]anthracene (SeBSe) as a narrowband-emissive
-
Comparative study of the chemical composition, antioxidant, and antimicrobial activity of the essential oils extracted from Lavandula abrialis and Lavandula stoechas: in vitro and in silico analysis Front. Chem. (IF 5.5) Pub Date : 2024-03-25 Mohamed Radi, Zaina Eddardar, Aziz Drioiche, Firdaous Remok, Md. Eram Hosen, Khalid Zibouh, Brahim Ed-Damsyry, Amale Bouatkiout, Sanae Amine, Hanane Touijer, Ahmad Mohammad Salamatullah, Mohammed Bourhia, Samir Ibenmoussa, Touriya Zair
This work aims to add value to the Lavandula genus by identifying the chemical composition, antioxidant, and antimicrobial activities of two species lavender from Oulmès in Morocco; Lavandula abrialis and Lavandula stoechas. The uniqueness lies in the integrated approach that combines in vitro and in silico analyses to assess the biological properties of the essential oils (EO). The objective of this
-
Cytotoxic activity of bimetallic Ag@Se green synthesized nanoparticles using Jerusalem Thorn (Parkinsonia aculeata) Front. Chem. (IF 5.5) Pub Date : 2024-03-25 Hanaa A. Hassanin, Amel Taha, Hairul-Islam Mohamed Ibrahim, Emad A. Ahmed, Hisham Mohamed, Hoda Ahmed
Introduction: The process of green synthesis of metal nanoparticles is considered to be eco-friendly and cost-effective.Methods: In this study, bimetallic Ag@Se-P and Ag@Se-S nanoparticles were synthesized successfully using Parkinsonia aculeata aerial parts and seed extracts. The phytochemical contents in P. aculeata aerial parts and seed aqueous extract serve as reducing and stabilizing capping agents
-
Effect of E-waste copper alloy additions on the microstructure and organization of Cu90PSn brazing joints Front. Chem. (IF 5.5) Pub Date : 2024-03-22 Li Bao, Jiao Yang, Shannan Zhang, Tianran Ding
The effects of different contents of e-waste alloy on the microstructure and joint properties of Cu90PSn brazing filler metal was investigated during copper and copper brazing. Microstructure of base metal and brazing filler metal was studied with scanning electronic microscopy (SEM). The properties of brazing joint obtained by adding different electronic waste filler metal for smelting copper alloy