jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: B. Gencer Balkis | Abdullah Aksu | Nagihan Ersoy Korkmaz | Ömer Suat Taşkın | Cigdem Celen | Nuray Balkıs
Source: International Journal of Environmental Science and Technology (article, 2024-08-13)
Field: Materials Science — Materials Chemistry

Synthesis of silica-chitosan nanocomposite for the removal of pharmaceuticals from the aqueous solution Abstract Diclofenac, ibuprofen, and carbamazepine are commonly used in medicine, and they have been frequently detected in aquatic environments. Since they cannot be fully treated in treatment plants and can threaten the lives of aquatic life, effective treatment methods are needed to remove they from wastewater and contaminated waters. The removal of these compounds from synthetic seawater was investigated by utilizing the super adsorbent property of silica-chitosan nanocomposite material synthesized using domestic chitosan. 1.25% (w/w), 2.5% (w/w), and 5% (w/w) silica-chitosan nanocomposite were prepared by the sol–gel method. Silica-chitosan nanocomposites were characterized by Fourier transforms infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-Ray Fluorescence Spectrometer (XRF), thermogravimetric analyses (TGA), and Brunauer–Emmett–Teller (BET) surface area analysis. FTIR and XRF spectrums show that silica-chitosan composite formation has successfully been obtained since Si% is measured 77.26 in XRF and Si–O-Si groups on 1100 cm −1 in FTIR. The most successful synthesized nanocomposite was 2.5% (w/w) silica-chitosan aerogel. The adsorbent capacities were demonstrated at pH 5, 7, and 8.5 of 1561, 1445, and 1610 mg/g for carbamazepine; 395, 340, and 390 mg/g for diclofenac; 1649, 1553, and 1773 mg/g for ibuprofen, respectively. The ideal pH for the simultaneous removal of these three compounds in water was 8.5. Among these three pharmaceutical compounds, carbamazepine is the most efficiently (89.3%) removed from synthetic seawater. Adsorption isotherms were suitable with Langmuir and Freundlich isotherm models and adsorption kinetics proceeds were fitted well with a pseudo-second-order kinetic model of silica-chitosan nanocomposite for all pharmaceutical compounds (R 2 &gt; 0.9742). Chitosan ; Adsorption ; Nanocomposite ; Thermogravimetric analysis ; Fourier transform infrared spectroscopy ; Freundlich equation ; Nuclear chemistry ; Chemistry ; Materials science ; Langmuir ; Aqueous solution ; Aerogel ; Chemical engineering ; Organic chemistry ; Composite material Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Adsorption and biosorption for pollutant removal
Authors: Irina A. Chuyko | Pavel A. Troshin | Sergey A. Ponomarenko | Yuriy N. Luponosov
Source: Russian Chemical Reviews (article, 2024-12-10)
Field: Materials Science — Polymers and Plastics

Polymers based on triphenylamine: synthesis, properties, and applications Triphenylamine-based conjugated polymers are a class of organic semiconductor compounds used in a variety of devices in the field of organic and hybrid optoelectronics, owing to a number of properties such as high hole mobility, efficient luminescence, high stability, and the ability to form films from solutions. The modern methods of organic and polymer synthesis make it possible to implement a variety of molecular designs for these polymers, ranging from simple conjugated macromolecules to intricate branched and cross-linked copolymers. This review analyzes the currently existing diversity of triphenylamine-based polymer structures, proposes their classification for the first time, considers the main approaches to the polymer synthesis, and, using numerous examples, demonstrates how the properties of such materials can be tuned using molecular design. Examples of application of these polymers in various modern devices are given, including perovskite solar cells, metal-ion batteries, electrochromic devices, organic light-emitting diodes, and sensors of various types. &lt;br&gt; The bibliography includes 281 references. Triphenylamine ; Polymer ; Conjugated system ; Nanotechnology ; Chemistry ; Luminescence ; Electrochromic devices ; Copolymer ; Electrochromism ; Materials science ; Optoelectronics ; Polymer chemistry ; Organic chemistry Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Analytical Chemistry and Sensors
Authors: Aseem Setia | Randheer Reddy Challa | Bhaskar Vallamkonda | PhanikumarReddy Satti | Abhishesh Kumar Mehata | Vishnu Priya | Senthil Kumar | Madaswamy S Muthu
Source: Nanotheranostics (review, 2024-01-01)
Field: Materials Science — Biomaterials

Nanomedicine And Nanotheranostics: Special Focus on Imaging of Anticancer Drugs Induced Cardiac Toxicity Cardiotoxicity, the often-overlooked second leading cause of death in cancer patients, has been associated with certain anticancer drugs. These drugs can induce cardiac damage through various pathways, and their adverse effects on the heart are not fully understood. Cardiotoxicity is a major issue in cancer treatment, particularly with chemotherapeutics, because it can cause cardiac dysfunction such as hypotension, heart failure, and even death. Doxorubicin, 5-fluorouracil, and trastuzumab, all of which are very potent anticancer drugs, are known to cause cardiotoxicity. When it comes to lowering cardiotoxicity and alleviating the harmful effects of chemotherapy medications, nanomedicine has the potential to transport therapeutic molecules. Nanotheranostics offers novel options for identifying and treating cardiotoxicity resulting from a wide range of substances, including anticancer medications. Additionally, theranostics platforms such as micellar systems, carbon-based nanomedicine, solid lipid nanoparticles, polymeric nanoparticles, and liposomes can transport chemotherapeutic medications while minimising their cardiotoxicity. The present level of understanding of the molecular and cellular processes that lead to cardiotoxicity in reaction to both traditional chemotherapy and targeted drug delivery systems is summarised in this article. This review delves into nanomedicine and nanotheranostics, with an emphasis on reducing anticancer medication-induced cardiac toxicity. Nanotheranostics provide potential solutions for early diagnosis and tailored therapy of heart injury by combining diagnostic and therapeutic capabilities into nanomedicine. Nanomedicine ; Cardiac toxicity ; Toxicity ; Medicine ; Focus (optics) ; Pharmacology ; Cardiotoxicity ; Nanotechnology ; Internal medicine ; Materials science ; Nanoparticle Nanoparticle-Based Drug Delivery ; Cardiac Imaging and Diagnostics ; Advanced Biosensing Techniques and Applications
Authors: Angelica P. Orlova | Maximilian G. Bernbeck | Jeffrey D. Rinehart
Source: Journal of the American Chemical Society (article, 2024-08-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Designing Quantum Spaces of Higher Dimensionality from a Tetranuclear Erbium-Based Single-Molecule Magnet The spin relaxation of an Er<sup>3+</sup> tetranuclear single-molecule magnet, <b>[Er(hdcCOT)I]<sub>4</sub></b>, (hdcCOT = hexahydrodicyclopentacyclooctatetraenide dianion), is modeled as a near-tetrahedral arrangement of Ising-type spins. Combining evidence from single-crystal X-ray diffraction, magnetometry, and computational techniques, the slow spin relaxation is interpreted as a consequence of symmetry restrictions imposed on quantum tunneling within the cluster core. The union of spin and spatial symmetries describe a ground state spin-spin coupled manifold wherein 16 eigenvectors generate the 3D quantum spin-space described by the vertices of a rhombic dodecahedron. Analysis of the experimental findings in this context reveals a correlation between the magnetic transitions and edges connecting cubic and octahedral subsets of the eigenspace convex hull. Additionally, the model is shown to map to a theoretically proposed quantum Cayley network, indicating an underexplored synergy between mathematical descriptions of molecular spin interactions and quantum computing configuration spaces. Chemistry ; Erbium ; Curse of dimensionality ; Magnet ; Molecule ; Spin (aerodynamics) ; Quantum ; Chemical physics ; Single-molecule magnet ; Relaxation (psychology) ; Condensed matter physics ; Nanotechnology ; Computational chemistry ; Quantum mechanics ; Organic chemistry ; Physics ; Doping ; Thermodynamics Magnetism in coordination complexes ; Advanced NMR Techniques and Applications ; Lanthanide and Transition Metal Complexes
Authors: Hojun Lee | Jihoon Kim | Moon Jeong Park
Source: Physical Review Materials (article, 2024-02-13)
Field: Materials Science — Materials Chemistry

Exploration of complex nanostructures in block copolymers The exploration of nanoscale morphologies with three-dimensional spatial arrangements in block copolymers involves the manipulation of compositional fluctuations at interfaces, induction of conformational asymmetry, and design of complex architectures. Despite the abundance of triply periodic minimal surfaces identified to date, the experimental demonstration of thermodynamically stable complex nanostructures with high-packing frustration remains limited. This research update focuses on the importance of molecular interactions for stabilizing complex nanostructures and proposes the use of end-group chemistry as a versatile method for realizing thermodynamically stable network structures with high-packing frustration in simple linear diblock copolymers. The proposed approach substantially alters phase diagrams and reveals unprecedented network structures in block copolymers. Ongoing research has the potential to generate even more diverse and stable nanostructures, thereby advancing nanotechnology and expanding our understanding of polymers and materials science. Published by the American Physical Society 2024 Materials science ; Copolymer ; Nanostructure ; Block (permutation group theory) ; Nanotechnology ; Polymer science ; Polymer ; Composite material ; Geometry Block Copolymer Self-Assembly ; Advanced Polymer Synthesis and Characterization ; Polymer Nanocomposites and Properties
Authors: Peng Zhao | Linjie Xu | Bohan Li | Yuanfeng Zhao | Yingshuai Zhao | Yan Lü | Minghui Cao | Guoqi Li | Tsu‐Chien Weng | Heng Wang | Yijun Zheng
Source: Advanced Materials (article, 2024-01-31)
Field: Materials Science — Materials Chemistry

Non‐Equilibrium Assembly of Atomically‐Precise Copper Nanoclusters Accurate structure control in dissipative assemblies (DSAs) is vital for precise biological functions. However, accuracy and functionality of artificial DSAs are far from this objective. Herein, a novel approach is introduced by harnessing complex chemical reaction networks rooted in coordination chemistry to create atomically-precise copper nanoclusters (CuNCs), specifically Cu<sub>11</sub>(µ<sub>9</sub>-Cl)(µ<sub>3</sub>-Cl)<sub>3</sub>L<sub>6</sub>Cl (L = 4-methyl-piperazine-1-carbodithioate). Cu(I)-ligand ratio change and dynamic Cu(I)-Cu(I) metallophilic/coordination interactions enable the reorganization of CuNCs into metastable CuL<sub>2</sub>, finally converting into equilibrium [CuL·Y]Cl (Y = MeCN/H<sub>2</sub>O) via Cu(I) oxidation/reorganization and ligand exchange process. Upon adding ascorbic acid (AA), the system goes further dissipative cycles. It is observed that the encapsulated/bridging halide ions exert subtle influence on the optical properties of CuNCs and topological changes of polymeric networks when integrating CuNCs as crosslink sites. CuNCs duration/switch period could be controlled by varying the ions, AA concentration, O<sub>2</sub> pressure and pH. Cu(I)-Cu(I) metallophilic and coordination interactions provide a versatile toolbox for designing delicate life-like materials, paving the way for DSAs with precise structures and functionalities. Furthermore, CuNCs can be employed as modular units within polymers for materials mechanics or functionalization studies. Dissipative system ; Nanoclusters ; Materials science ; Ligand (biochemistry) ; Metastability ; Ion ; Nanotechnology ; Bridging ligand ; Supramolecular chemistry ; Coordination complex ; Coordination polymer ; Topology (electrical circuits) ; Chemical physics ; Polymer ; Chemistry ; Crystallography ; Physics ; Metal ; Thermodynamics ; Crystal structure ; Organic chemistry Nanocluster Synthesis and Applications ; Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes
Authors: Jieun Heo | Seunghwan Seo | Hongseok Yun | Kang Hee Ku
Source: Nanoscale (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Stimuli-responsive nanoparticle self-assembly at complex fluid interfaces: a new insight into dynamic surface chemistry The self-assembly of core/shell nanoparticles (NPs) at fluid interfaces is a rapidly evolving area with tremendous potential in various fields, including biomedicine, display devices, catalysts, and sensors. This review provides an in-depth exploration of the current state-of-the-art in the programmed design of stimuli-responsive NP assemblies, with a specific focus on inorganic core/organic shell NPs below 100 nm for their responsive adsorption properties at fluid and polymer interfaces. The interface properties, such as ligands, charge, and surface chemistry, play a significant role in dictating the forces and energies governing both NP-NP and NP-hosting matrix interactions. We highlight the fundamental principles governing the reversible surface chemistry of NPs and present detailed experimental examples in the following three key aspects of stimuli-responsive NP assembly: (i) stimuli-driven assembly of NPs at the air/liquid interface, (ii) reversible NP assembly at the liquid/liquid interface, including films and Pickering emulsions, and (iii) hybrid NP assemblies at the polymer/polymer and polymer/water interfaces that exhibit stimuli-responsive behaviors. Finally, we address current challenges in existing approaches and offer a new perspective on the advances in this field. Nanotechnology ; Nanoparticle ; Polymer ; Self-assembly ; Materials science ; Adsorption ; Shell (structure) ; Chemistry ; Organic chemistry Pickering emulsions and particle stabilization ; Surfactants and Colloidal Systems ; Proteins in Food Systems
Authors: Aditya Rianjanu | Resti Nuraeni | Rizky Aflaha | Nur Istiqomah Khamidy | Kuwat Trıyana | Tarmizi Taher
Source: Greensusmater (article, 2024-12-16)
Field: Materials Science — Materials Chemistry

Effect of calcination temperature on the performance of hydrothermally grown cerium dioxide (CeO2) nanorods for the removal of Congo red dyes This study investigates the transformation of CeO2 nanostructures through various calcination temperatures and their subsequent impact on morphological, structural, and photocatalytic properties. X-ray diffraction (XRD) analysis reveals the presence of cerium oxycarbonate in the uncalcined samples, transitioning to a face centered cubic CeO2 phase post-calcination at 500°C. The scanning electron microscopy (SEM) imaging delineates a morphological evolution from distinct, rod-like structures in the uncalcined state to sintered, agglomerated forms as calcination temperatures ascend from 500°C to 800°C. The crystallite size, calculated using Scherrer's Equation, displayed a proportional increase with temperature. The photocatalytic degradation of Congo red dye under UV light was analyzed using UV-Vis spectroscopy, with the calcined samples exhibiting varying degrees of adsorption and photocatalytic activity. The study found that higher calcination temperatures correlate with increased photocatalytic performance, potentially due to enhanced crystallinity. This assertion is supported by pseudo-first-order kinetic modeling, indicating improved photocatalytic efficiency with higher calcination temperatures, underlined by increasing rate constants. These findings underscore the intricate relationship between calcination-induced morphological and structural changes and the photocatalytic prowess of CeO2 nanostructures. Calcination ; Photocatalysis ; Materials science ; Crystallite ; Nanorod ; Crystallinity ; Scanning electron microscope ; Chemical engineering ; Cerium ; Nanotechnology ; Chemistry ; Composite material ; Metallurgy ; Catalysis ; Organic chemistry Catalytic Processes in Materials Science ; Advanced Photocatalysis Techniques ; Advanced Nanomaterials in Catalysis
Authors: Yang Xiao | Mengsi Ma | Meichen Xu | Yubing Pang | Haiying Zhao | Juntao Ye
Source: Chinese Journal of Chemistry (article, 2024-09-10)
Field: Chemistry — Organic Chemistry

Enhanced Efficiency of Amide‐Substituted Quinuclidine‐Boranes as Hydridic Hydrogen Atom Transfer Catalysts for Photoinduced Hydroalkylation of Unactivated Olefins<sup>†</sup> Comprehensive Summary An amide‐substituted quinuclidine‐borane has been identified as a more efficient hydridic hydrogen atom transfer (HAT) catalyst for the hydroalkylation of unactivated olefins under visible‐light irradiation. 1 H NMR titration experiments reveal that the amide moiety of the quinuclidine‐borane catalyst forms stronger hydrogen bonds with the carbonyl substrates, thereby improving the reaction yields. Furthermore, it was found that the reaction yields correlate well with the association constant between the quinuclidine‐borane catalyst and the carbonyl substrate. A scale‐up reaction using a continuous‐flow photoreactor has also been demonstrated. Chemistry ; Boranes ; Quinuclidine ; Amide ; Catalysis ; Hydrogen atom ; Atom (system on chip) ; Hydrogen ; Photochemistry ; Organic chemistry ; Medicinal chemistry ; Boron ; Group (periodic table) Organoboron and organosilicon chemistry ; Radical Photochemical Reactions ; Ammonia Synthesis and Nitrogen Reduction
Authors: Dhriti Shenoy | Sowmya Chivukula | Nursu Erdoğan | Enrica Chiesa | Sara Pellegrino | Meital Reches | Ida Genta
Source: Journal of Materials Chemistry B (review, 2024-12-10)
Field: Materials Science — Biomaterials

Self-assembled peptide-based nanofibers for cardiovascular tissue regeneration Cardiovascular diseases are the leading cause of death worldwide, claiming millions of lives every year. Cardiac tissue engineering has emerged as a versatile option for repairing cardiac tissue and helping its regeneration. The use of nanomaterials, particularly nanofiber-based scaffolds combined with biomolecular cues like peptides, has significantly improved the compatibility and efficacy of the scaffolds for cardiac tissue regeneration. By utilising the self-assembly properties of peptides to create nanofiber scaffolds, we can achieve stability that closely mimics the natural components of cardiac tissue, making them perfect for cardiac tissue regeneration. In this review, we highlighted the dynamic process of self-assembly into nanofibers and the use of various self-assembled nanofibers for cardiovascular tissue regeneration, focusing on their roles in antithrombotic, angiogenic, differentiation, proliferation, and anti-atherosclerotic interventions. Nanofiber ; Regeneration (biology) ; Peptide ; Materials science ; Nanotechnology ; Cell biology ; Chemistry ; Biochemistry ; Biology Supramolecular Self-Assembly in Materials ; Peptidase Inhibition and Analysis ; Electrospun Nanofibers in Biomedical Applications
Authors: Min Luo | Fukun Zhao | Yuan-min Wang | Jiang Bian
Source: Journal of Translational Medicine (article, 2024-09-02)
Field: Materials Science — Materials Chemistry

Au@Pd nanozyme-mediated catalytic therapy: a novel strategy for targeting tumor microenvironment in cancer treatment This study developed an efficient nanozyme-mediated catalytic therapy strategy targeting the tumor microenvironment for the treatment of breast cancer cells. Tumor microenvironment ; Cancer research ; Cancer therapy ; Medicine ; Cancer ; Tumor cells ; Internal medicine Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Thomas Jarrin | Theodorus de Bruin | Céline Chizallet
Source: ACS Catalysis (article, 2024-01-17)
Field: Chemistry — Inorganic Chemistry

Impact of Point Defects, External Surfaces Sites, and Si/Al Ratio on Al–O Bonds Hydrolysis Kinetics at the Initiation of Faujasite Dealumination Faujasite is one of the most industrially employed zeolite material, mainly for catalytic applications. Its properties are dependent on its pore network, which can be tuned by dealumination upon steaming. Previous theoretical studies on the subject based on the density functional theory identified plausible dealumination mechanisms for simple bulk structures of faujasite, but to gain a more complete understanding of dealumination, and to be able to compare to experimental situations, theoretical studies must be performed on more realistic and complex systems. In this article, we identify the intermediates and transition states for the first Al–O bond hydrolysis initiating dealumination in the bulk of faujasite for various Si/Al ratios, in the presence of silanol nests defects, and at the external surface of faujasite. We find that Al–O bond breaking is made easier from a kinetic perspective on some sites of the external surface of the material, considering the water adsorbed state as the reference. Moreover, the presence of defects and a decrease of the Si/Al ratio also lower the free energy barriers necessary to dealuminate. These trends are less clear when considering apparent free energy barrier, when the water desorbed state has been taken as a reference. Subtle local effects enter into play explaining the barrier rankings, including a participation of the hydrogen bond network strengthening at the outermost surface of the zeolite, which significantly stabilizes the highest free energy transition state in some cases. These hydrogen bonds make Brønsted–Evans–Polanyi relationships blurrier at the surface than at the bulk sites, suggesting that local effects on the stabilization of the transition states need to be explicitly considered. Faujasite ; Silanol ; Chemistry ; Zeolite ; Catalysis ; Adsorption ; Density functional theory ; Computational chemistry ; Thermodynamics ; Hydrogen bond ; Physical chemistry ; Chemical physics ; Inorganic chemistry ; Molecule ; Organic chemistry Zeolite Catalysis and Synthesis ; Clay minerals and soil interactions ; Mesoporous Materials and Catalysis
Authors: Timothy G. Burrow | Nathan M. Alcock | Myron S. Huzan | Maja A. Dunstan | John A. Seed | Blanka Detlefs | Pieter Glatzel | Myrtille O. J. Y. Hunault | Jesper Bendix | Kasper S. Pedersen | Michael L. Baker
Source: Journal of the American Chemical Society (article, 2024-07-31)
Field: Chemistry — Inorganic Chemistry

Determination of Uranium Central-Field Covalency with 3 <i>d</i> 4 <i>f</i> Resonant Inelastic X-ray Scattering Understanding the nature of metal-ligand bonding is a major challenge in actinide chemistry. We present a new experimental strategy for addressing this challenge using actinide 3<i>d</i>4<i>f</i> resonant inelastic X-ray scattering (RIXS). Through a systematic study of uranium(IV) halide complexes, [UX<sub>6</sub>]<sup>2-</sup>, where X = F, Cl, or Br, we identify RIXS spectral satellites with relative energies and intensities that relate to the extent of uranium-ligand bond covalency. By analyzing the spectra in combination with ligand field density functional theory we find that the sensitivity of the satellites to the nature of metal-ligand bonding is due to the reduction of 5<i>f</i> interelectron repulsion and 4<i>f</i>-5<i>f</i> spin-exchange, caused by metal-ligand orbital mixing and the degree of 5<i>f</i> radial expansion, known as central-field covalency. Thus, this study furthers electronic structure quantification that can be obtained from 3<i>d</i>4<i>f</i> RIXS, demonstrating it as a technique for estimating actinide-ligand covalency. Chemistry ; Uranium ; Field (mathematics) ; Resonant inelastic X-ray scattering ; Inelastic scattering ; Scattering ; Inelastic neutron scattering ; Nuclear physics ; Optics ; Physics Radioactive element chemistry and processing ; Nuclear Materials and Properties ; X-ray Spectroscopy and Fluorescence Analysis