jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carlos Fernández‐Lodeiro | Javier Fernández‐Lodeiro | Adrián Fernández‐Lodeiro | Silvia Nuti | Carlos Lodeiro | Alec P. LaGrow | Ignacio Pérez‐Juste | Jorge Pérez‐Juste | Isabel Pastoriza‐Santos
Source: Journal of Materials Chemistry C (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis of tuneable gold nanostars: the role of adenosine monophosphate Gold nanostars with tuneable optical properties are synthesized via a seed-mediated approach employing adenosine monophosphate (AMP) as a capping ligand. AMP directs the reduction of the gold salt and mediates the anisotropic nanoparticle growth. Materials science ; Adenosine ; Colloidal gold ; Nanotechnology ; Ligand (biochemistry) ; Adenosine monophosphate ; Nanoparticle ; Cyclic adenosine monophosphate ; Biochemistry ; Receptor ; Chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Laura Álvarez‐Manuel | Cinthia Alegre | David Sebastián | Alberto Eizaguerri | Pedro F. Napal | M.J. Lázaro
Source: Catalysis Today (article, 2023-02-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

N-doped carbon xerogels from urea-resorcinol-formaldehyde as carbon matrix for Fe-N-C catalysts for oxygen reduction in fuel cells Platinum group metal-free catalysts have been intensively investigated in the last decades as an alternative to platinum with the aim of lowering the cost of polymer electrolyte fuel cells. In particular, iron-nitrogen-carbon (Fe-N-C) has proved to be the most active towards the oxygen reduction reaction. For practical application, a hierarchical pore structure is required, with micropores favouring the creation of active sites and larger pores (meso- and macropores) facilitating the mass transport. In this work, carbon xerogels are investigated to hosting iron and nitrogen species obtained by a template-free method. The introduction of nitrogen in a one-step polymerization of urea with resorcinol and formaldehyde is investigated for the first time in this field by varying the relative content of reactants. The urea/resorcinol ratio greatly influences the pore structure of the Fe-N-C catalyst and the ORR electrocatalytic activity thereof. The ORR activity is favored for a balanced urea/resorcinol ratio where porosity is well developed and relatively high iron and nitrogen contents are incorporated to the carbon xerogel. In acid (0.5 M H2SO4), the onset potential is 0.82 V vs. RHE, with a number of exchanged electrons very close to 4 (i.e. full conversion to water) and low Tafel slope of 71 mV dec−1, for the most active catalyst of the series, possessing the best compromise of iron and nitrogen active sites. Fuel cell tests corroborate that the catalyst with the most developed porous structure shows the best performance. Catalysis ; Inorganic chemistry ; Carbon fibers ; Chemistry ; Resorcinol ; Platinum ; Electrolyte ; Chemical engineering ; Materials science ; Organic chemistry ; Electrode Supercapacitor Materials and Fabrication ; Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion
Authors: Dongsik Park | Su Jin Lee | Dong Kyu Choi | Jee-Woong Park
Source: Pharmaceutics (review, 2023-05-17)
Field: Materials Science — Biomaterials

Therapeutic Agent-Loaded Fibrous Scaffolds for Biomedical Applications Tissue engineering is a sophisticated field that involves the integration of various disciplines, such as clinical medicine, material science, and life science, to repair or regenerate damaged tissues and organs. To achieve the successful regeneration of damaged or diseased tissues, it is necessary to fabricate biomimetic scaffolds that provide structural support to the surrounding cells and tissues. Fibrous scaffolds loaded with therapeutic agents have shown considerable potential in tissue engineering. In this comprehensive review, we examine various methods for fabricating bioactive molecule-loaded fibrous scaffolds, including preparation methods for fibrous scaffolds and drug-loading techniques. Additionally, we delved into the recent biomedical applications of these scaffolds, such as tissue regeneration, inhibition of tumor recurrence, and immunomodulation. The aim of this review is to discuss the latest research trends in fibrous scaffold manufacturing methods, materials, drug-loading methods with parameter information, and therapeutic applications with the goal of contributing to the development of new technologies or improvements to existing ones. Scaffold ; Regeneration (biology) ; Tissue engineering ; Regenerative medicine ; Nanotechnology ; Biomedical engineering ; Biomimetic materials ; Drug delivery ; Materials science ; Medicine ; Stem cell ; Biology ; Cell biology Silk-based biomaterials and applications ; Electrospun Nanofibers in Biomedical Applications ; Bone Tissue Engineering Materials
Authors: Dimana Nazarova | Lian Nedelchev | Nataliya Berberova | Georgi Mateev
Source: Nanomaterials (review, 2023-11-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Nanocomposite Photoanisotropic Materials for Applications in Polarization Holography and Photonics Photoanisotropic materials, in particular azodyes and azopolymers, have attracted significant research interest in the last decades. This is due to their applications in polarization holography and 4G optics, enabling polarization-selective diffractive optical elements with unique properties, including circular polarization beam-splitters, polarization-selective bifocal lenses, and many others. Numerous methods have been applied to increase the photoinduced birefringence of these materials, and as a result, to obtain polarization holographic elements with a high diffraction efficiency. Recently, a new approach has emerged that has been extensively studied by many research groups, namely doping azobenzene-containing materials with nanoparticles with various compositions, sizes, and morphologies. The resulting nanocomposites have shown significant enhancement in their photoanisotropic response, including increased photoinduced birefringence, leading to a higher diffraction efficiency and a larger surface relief modulation in the case of polarization holographic recordings. This review aims to cover the most important achievements in this new but fast-growing field of research and to present an extensive comparative analysis of the result, reported by many research groups during the last two decades. Different hypotheses to explain the mechanism of photoanisotropy enhancement in these nanocomposites are also discussed. Finally, we present our vision for the future development of this scientific field and outline its potential applications in advanced photonics technologies. Birefringence ; Materials science ; Holography ; Polarization (electrochemistry) ; Nanocomposite ; Photonics ; Optics ; Optoelectronics ; Nanotechnology ; Physics ; Chemistry Liquid Crystal Research Advancements ; Photochromic and Fluorescence Chemistry ; Advanced Materials and Mechanics
Authors: Swaroop Chakraborty | Dhruv Menon | Akhil Varri | Manish Sahoo | Raghavan Ranganathan | Peng Zhang | Superb K. Misra
Source: Environmental Science Nano (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Does the doping strategy of ferrite nanoparticles create a correlation between reactivity and toxicity? The doping strategy of ferrite nanoparticles induced a correlation between their reactivity and toxicity. The evidence showed the induction of biological responses as a factor of their dissolution and suspension properties of ferrite nanoparticles. Nanoparticle ; Doping ; Dissolution ; Ferrite (magnet) ; Materials science ; Toxicity ; Chemical engineering ; Nanotechnology ; Chemistry ; Composite material ; Engineering ; Optoelectronics ; Organic chemistry Nanoparticles: synthesis and applications ; Nanoparticle-Based Drug Delivery ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Uroš Todorović | R. Martín Romero | Lucile Anthore‐Dalion
Source: European Journal of Organic Chemistry (article, 2023-06-20)
Field: Chemistry — Organic Chemistry

Activation of N−O σ Bonds with Transition Metals: A Versatile Platform for Organic Synthesis and C−N Bonds Formation** Abstract N−O σ bonds containing compounds are versatile substrates for organic synthesis under transition metal catalysis. Their ability to react through both polar (oxidative addition, formation of metallanitrene, nucleophilic substitution) and radical pathways (single electron transfer, homolytic bond scission) have triggered the development of various synthetic methodologies, particularly toward synthesizing nitrogen‐containing compounds. In this review, we discuss the different modes of activation of N−O bonds in the presence of transition metal catalysts, emphasizing the experimental and computational mechanistic proofs in the literature to help to design new synthetic pathways toward the synthesis of C−N bonds. Chemistry ; Homolysis ; Transition metal ; Organic synthesis ; Bond cleavage ; Catalysis ; Nucleophile ; Reductive elimination ; Combinatorial chemistry ; Oxidative addition ; Stereochemistry ; Photochemistry ; Organic chemistry ; Radical Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Radical Photochemical Reactions
Authors: Yuya Inaba | Jian Yang | Yu Kakibayashi | Tomoki Yoneda | Yuki Ide | Yuh Hijikata | Jenny Pirillo | Ranajit Saha | Jonathan L. Sessler | Yasuhide Inokuma
Source: Angewandte Chemie International Edition (article, 2023-02-14)
Field: Materials Science — Materials Chemistry

Chiral Calix[3]pyrrole Derivatives: Synthesis, Racemization Kinetics, and Ring Expansion to Calix[9]‐ and Calix[12]pyrrole Analogues Chiral pyrrolic macrocycles continue to attract interest. However, their molecular design remains challenging. Here, we report a calixpyrrole-based chiral macrocyclic system, calix[1]furan[1]pyrrole[1]thiophene (1), synthesized from an oligoketone. Macrocycle 1 adopts a partial cone conformation in the solid state, and undergoes racemization via ring inversion. Molecular dynamics simulations revealed that inversion of the thiophene is the rate determining step. Pyrrole N-methylation suppressed racemization and permitted chiral resolution. Enantioselective N-methylation also occurred in the presence of a chiral ammonium salt, although the stereoselectivity is modest. A unique feature of 1 is that it acts as a useful synthetic precursor to yield several calix[n]furan[n]pyrrole[n]thiophene products (n=2-4), including a calix[12]pyrrole analogue that to our knowledge constitutes the largest calix[n]pyrrole-like species to be structurally characterized. Racemization ; Thiophene ; Pyrrole ; Chemistry ; Enantiomer ; Ring (chemistry) ; Enantiopure drug ; Supramolecular chemistry ; Stereochemistry ; Enantioselective synthesis ; Organic chemistry ; Molecule ; Catalysis Porphyrin and Phthalocyanine Chemistry ; Molecular Sensors and Ion Detection ; Surface Chemistry and Catalysis
Authors: Qimei Zhang | Jian Cui | Shuai Zhao | Guangfa Zhang | Ailin Gao | Yehai Yan
Source: Nanomaterials (article, 2023-01-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Development of Electromagnetic-Wave-Shielding Polyvinylidene Fluoride–Ti3C2Tx MXene–Carbon Nanotube Composites by Improving Impedance Matching and Conductivity Absorption-dominated electromagnetic interference (EMI) shielding is attained by improving impedance matching and conductivity through structural design. Polyvinylidene fluoride (PVDF)-Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXene-single-walled carbon nanotubes (SWCNTs) composites with layered heterogeneous conductive fillers and segregated structures were prepared through electrostatic flocculation and hot pressing of the PVDF composite microsphere-coated MXene and SWCNTs in a layer-by-layer fashion. Results suggest that the heterogeneous fillers improve impedance matching and layered coating, and hot compression allows the MXene and SWCNTs to form a continuous conducting network at the PVDF interface, thereby conferring excellent conductivity to the composite. The PVDF-MXene-SWCNTs composite showed a conductivity of 2.75 S cm<sup>-1</sup> at 2.5% MXene and 1% SWCNTs. The EMI shielding efficiency (SE) and contribution from absorption loss to the total EMI SE of PVDF-MXene-SWCNTs were 46.1 dB and 85.7%, respectively. Furthermore, the PVDF-MXene-SWCNTs composite exhibited excellent dielectric losses and impedance matching. Therefore, the layered heteroconductive fillers in a segregated structure optimize impedance matching, provide excellent conductivity, and improve absorption-dominated electromagnetic shielding. Polyvinylidene fluoride ; Materials science ; Carbon nanotube ; Composite material ; Electromagnetic shielding ; Conductivity ; Impedance matching ; Fluoride ; Electrical impedance ; Polymer ; Electrical engineering Electromagnetic wave absorption materials ; MXene and MAX Phase Materials ; Advanced Antenna and Metasurface Technologies
Authors: Ionela Grecu | Petrişor Samoilă | Petronela Pascariu | Corneliu Cojocaru | Maria Ignat | Ioan‐Andrei Dascălu | Valeria Harabagiu
Source: Catalysts (article, 2023-01-24)
Field: Materials Science — Materials Chemistry

Enhanced Photodegradation of Organic Pollutants by Novel Samarium-Doped Zinc Aluminium Spinel Ferrites ZnAlFe1−xSmxO4 (x = 0, 0.02, 0.04, 0.06, 0.08) spinel ferrites were successfully obtained for the first time via a sol–gel autocombustion technique using citric acid as the combustion/chelating agent. These materials were then employed as photocatalysts for the degradation of Evans Blue, considered herein as a model organic pollutant. The XRD and FTIR analysis confirmed the achievement of pure spinel ferrite structures for all the materials. TEM analysis showed that the average particle sizes decline from about 27 for the undoped material to 17 nm for samarium-doped materials, and the magnetic characterization at room temperature indicated the paramagnetic conduct for the studied samples. All the photocatalysts were active in Evans Blue photodegradation. The best photocatalytic performances were observed for the ZnAlFe0.94Sm0.06O4 formulation and explained by the smallest values calculated for lattice parameter, interplanar distance, and particle-size values. By adding H2O2 and applying the modelling and optimization of the photocatalytic process for the best material, the half-life of the pollutant decreased significantly from 115 min to about 7 min (about 16-times), and the colour-removal efficiency was almost 100%. Photodegradation ; Spinel ; Materials science ; Photocatalysis ; Particle size ; Samarium ; Nuclear chemistry ; Doping ; Chemical engineering ; Inorganic chemistry ; Metallurgy ; Catalysis ; Chemistry ; Organic chemistry Magnetic Properties and Synthesis of Ferrites ; Nanomaterials for catalytic reactions ; Multiferroics and related materials
Authors: Iouliana Chrysafi | Nina Maria Ainali | Eleftheria Xanthopoulou | Alexandra Zamboulis | Dimitrios Ν. Bikiaris
Source: Journal of Composites Science (article, 2023-05-25)
Field: Materials Science — Polymers and Plastics

Thermal Degradation Mechanism and Decomposition Kinetic Studies of Poly(Ethylene Succinate)/Hemp Fiber Composites The continuous depletion of natural resources coupled with plastics pollution, has prompted the scientific community to explore alternative biobased and/or biodegradable polymers. Poly(ethylene succinate) (PESu) is a promising substitute due to its high processability and controllable biodegradation rate. Meanwhile, hemp possesses interesting properties such as being lightweight, exhibiting excellent long-term mechanical stability, and having low carbon emissions, making it an ideal option for wood replacement. Thus, PESu/hemp fiber composites (with and without compatibilizer) were prepared novel sustainable materials with improved properties. The present study aims to investigate the thermal degradation of PESu/hemp fiber composites. More specifically, thermogravimetric analysis (TGA) and pyrolysis-gas chromatography/mass spectrometry (Py–GC/MS) were employed to examine the degradation mechanism and identify decomposition products. The isoconversional methods of Vyazovkin and Friedman, as well as the model free methods, provided comparable results. Samples without compatibilizer were characterized by a two-step Cn autocatalytic mechanism, while those with compatibilizer showed a triple Cn mechanism. The main thermal degradation pathway of the composites was the β-hydrogen scission of the polymeric backbone. In conclusion, this study provides information about the thermal behavior of PESu/hemp fiber composites useful for their application as alternative “wood plastic composites (WPCs)”. Thermogravimetric analysis ; Materials science ; Degradation (telecommunications) ; Composite material ; Thermal stability ; Thermal decomposition ; Biodegradation ; Decomposition ; Ethylene ; Pyrolysis ; Fiber ; Polymer ; Chemical engineering ; Chemistry ; Organic chemistry ; Catalysis ; Computer science Natural Fiber Reinforced Composites ; biodegradable polymer synthesis and properties ; Polymer crystallization and properties
Authors: Yunxia Wang | Ye Liu | Бо Лю | Yihua Yuan | Lixia Wei | Mingxiu Wang | Zhe Chen
Source: Molecules (article, 2023-12-31)
Field: Chemistry — Spectroscopy

A Benzil- and BODIPY-Based Turn-On Fluorescent Probe for Detection of Hydrogen Peroxide Faced with rising threats of terrorism, environmental and health risks, achieving sensitive and selective detection of peroxide-based explosives (PEs) has become a global focus. In this study, a turn-on fluorescent probe (BOD) based on benzil (H<sub>2</sub>O<sub>2</sub>-recognition element) and 4,4-difluoro-4-bora-3<i>a</i>,4<i>a</i>-diaza-<i>s</i>-indacene (BODIPY) derivative (fluorophore) was developed to sensitively and specifically detect hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>). The synthesized BOD had a very weak fluorescence due to intramolecular donor-excited photo-induced electron transfer (<i>d</i>-PET) effect; however, it could emit a strong fluorescence since H<sub>2</sub>O<sub>2</sub> selectively oxidized the benzil moiety and released free BODIPY fluorophore (BOD-COOH). As a result, the proposed BOD detected H<sub>2</sub>O<sub>2</sub> in linear detection ranged from 25 to 125 µM with a detection limit of 4.41 µM. Meanwhile, the proposed BOD showed good selectivity toward H<sub>2</sub>O<sub>2</sub>, which is not affected by other common reactive oxygen species (ROS) and ions from explosive residues. In addition, a blue shift from 508 to 498 nm was observed in the absorption spectra upon addition of H<sub>2</sub>O<sub>2</sub>. More importantly, the BOD was successfully applied for rapid detection of H<sub>2</sub>O<sub>2</sub> vapor with good sensitivity (down to 7 ppb), which holds great potential for practical use in public safety, forensic analysis and environmental monitoring. Fluorophore ; Photochemistry ; Fluorescence ; Benzil ; Chemistry ; Hydrogen peroxide ; BODIPY ; Moiety ; Reactive oxygen species ; Detection limit ; Selectivity ; Catalysis ; Organic chemistry ; Chromatography ; Biochemistry Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Sulfur Compounds in Biology
Authors: Md. Kamrul Islam | Ahrum Baek | Byeong Woo Yang | Soyeon Kim | Dong Wook Hwang | Sung‐Wook Nam | Gang Ho Lee | Yongmin Chang
Source: Pharmaceuticals (article, 2023-04-17)
Field: Materials Science — Materials Chemistry

Manganese (II) Complex of 1,4,7-Triazacyclononane-1,4,7-Triacetic Acid (NOTA) as a Hepatobiliary MRI Contrast Agent Magnetic resonance imaging (MRI) is increasingly used to diagnose focal and diffuse liver disorders. Despite their enhanced efficacy, liver-targeted gadolinium-based contrast agents (GBCAs) raise safety concerns owing to the release of toxic Gd<sup>3+</sup> ions. A π-conjugated macrocyclic chelate, <b>Mn-NOTA-NP</b>, was designed and synthesized as a non-gadolinium alternative for liver-specific MRI. <b>Mn-NOTA-NP</b> exhibits an <i>r</i><sub>1</sub> relaxivity of 3.57 mM<sup>-1</sup> s<sup>-1</sup> in water and 9.01 mM<sup>-1</sup> s<sup>-1</sup> in saline containing human serum albumin at 3 T, which is significantly greater than the clinically utilized Mn<sup>2+</sup>-based hepatobiliary drug, Mn-DPDP (1.50 mM<sup>-1</sup> s<sup>-1</sup>), and comparable with that of GBCAs. Furthermore, the in vivo biodistribution and MRI enhancement patterns of <b>Mn-NOTA-NP</b> were similar to those of the Gd<sup>3+</sup>-based hepatobiliary agent, Gd-DTPA-EOB. Additionally, a 0.05 mmol/kg dose of <b>Mn-NOTA-NP</b> facilitated high-sensitivity tumor detection with tumor signal enhancement in a liver tumor model. Ligand-docking simulations further indicated that <b>Mn-NOTA-NP</b> differed from other hepatobiliary agents in their interactions with several transporter systems. Collectively, we demonstrated that <b>Mn-NOTA-NP</b> could be a new liver-specific MRI contrast agent. Biodistribution ; In vivo ; Gadolinium ; MRI contrast agent ; Magnetic resonance imaging ; Chemistry ; Manganese ; Albumin ; Ligand (biochemistry) ; Imaging agent ; Medicine ; Nuclear medicine ; Nuclear magnetic resonance ; Radiology ; In vitro ; Biochemistry ; Biology ; Receptor Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; MRI in cancer diagnosis
Authors: Yingying Miao | Shuang Wang | Butian Zhang | Lin Liu
Source: Frontiers in Immunology (review, 2023-05-02)
Field: Materials Science — Materials Chemistry

Carbon dot-based nanomaterials: a promising future nano-platform for targeting tumor-associated macrophages The tumor microenvironment (TME) is the internal environment that tumors depend on for survival and development. Tumor-associated macrophages (TAMs), as an important part of the tumor microenvironment, which plays a crucial role in the occurrence, development, invasion and metastasis of various malignant tumors and has immunosuppressant ability. With the development of immunotherapy, eradicating cancer cells by activating the innate immune system has yielded encouraging results, however only a minority of patients show a lasting response. Therefore, <i>in vivo</i> imaging of dynamic TAMs is crucial in patient-tailored immunotherapy to identify patients who will benefit from immunotherapy, monitor efficacy after treatment, and identify alternative strategies for non-responders. Meanwhile, developing nanomedicines based on TAMs-related antitumor mechanisms to effectively inhibit tumor growth is expected to become a promising research field. Carbon dots (CDs), as an emerging member of the carbon material family, exhibit unexpected superiority in fluorescence imaging/sensing, such as near infrared imaging, photostability, biocompatibility and low toxicity. Their characteristics naturally integrate therapy and diagnosis, and when CDs are combined with targeted chemical/genetic/photodynamic/photothermal therapeutic moieties, they are good candidates for targeting TAMs. We concentrate our discussion on the current learn of TAMs and describe recent examples of macrophage modulation based on carbon dot-associated nanoparticles, emphasizing the advantages of their multifunctional platform and their potential for TAMs theranostics. Tumor microenvironment ; Immunotherapy ; Photothermal therapy ; Cancer immunotherapy ; Cancer research ; Metastasis ; Immune system ; Cancer ; Nanotechnology ; Medicine ; Materials science ; Immunology ; Tumor cells ; Internal medicine Carbon and Quantum Dots Applications ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications