jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rahul Kanaoujiya | Dipiti Porwal | Shekhar Srivastava
Source: Frontiers in Medical Technology (review, 2022-09-01)
Field: Materials Science — Biomaterials

Applications of nanomaterials for gastrointestinal tumors: A review Nanotechnology is the emerging and advance field of research for the diagnosis and treatment of various diseases. With the development of nanotechnology, different nanoparticles are used in the treatment of cancer due to their unique optical properties, excellent biocompatibility, surface effects, and small size effects. Nanoparticles are the particles which have the particular size from 1 to 100 nm. These nanoparticles are zero dimension, one dimension, two dimension and three dimension etc. In present scenario a variety of research is focused on the tailored synthesis of nanoparticles for medicinal applications that can be used for cancer treatment based on the morphology, composition, interaction with target cell. The gastrointestinal (GI) tumors are found one of the deadest cancer types with highest reoccurrence rates. The diagnosis and treatment of gastrointestinal cancer is very challenging due to its deep location and complicated surgery. Nanotechnology provides fast diagnosis and immediate treatment for the gastrointestinal disease. A variety of nanomaterials are used for the diagnosis and treatment of GI disease. Nanoparticles target directly to the tumor cell as diagnostic and therapeutic tools facilitating the identification and removal of tumor cells. A number of nanoparticles are developed for the uses are quantum dots (QDs), carbon nanotubes (CNTs), metallic nanoparticles (MNPs), Dendrimers etc. This review article gives an overview of the most promising nanomaterials used for the diagnosis and treatment of GI diseases. This review attempts to incorporate numerous uses for the most current nanomaterials, which have great potential for treating gastrointestinal diseases. Nanotechnology ; Nanomaterials ; Nanoparticle ; Cancer ; Materials science ; Carbon nanotube ; Gastrointestinal cancer ; Medicine ; Colorectal cancer ; Internal medicine Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Raúl Cosialls | Cristina Simó | Salvador Borrós | Vanessa Gómez‐Vallejo | Claudia Schmidt | Jordi Llop | Ana B. Cuenca | Angela Casini
Source: Chemistry - A European Journal (article, 2022-10-14)
Field: Chemistry — Organic Chemistry

PET Imaging of Self‐Assembled <sup>18</sup>F‐Labelled Pd<sub>2</sub>L<sub>4</sub> Metallacages for Anticancer Drug Delivery To advance the design of self-assembled metallosupramolecular architectures as new generation theranostic agents, the synthesis of <sup>18</sup> F-labelled [Pd<sub>2</sub> L<sub>4</sub> ]<sup>4+</sup> metallacages is reported. Different spectroscopic and bio-analytical methods support the formation of the host-guest cage-cisplatin complex. The biodistribution profiles of one of the cages, alone or encapsulating cisplatin have been studied by PET/CT imaging in healthy mice in vivo, in combination to ICP-MS ex vivo. Biodistribution ; Cisplatin ; In vivo ; Ex vivo ; Drug delivery ; Pet imaging ; Chemistry ; Radiochemistry ; Nanotechnology ; Nuclear medicine ; Materials science ; Positron emission tomography ; In vitro ; Medicine ; Chemotherapy ; Biochemistry Supramolecular Chemistry and Complexes ; Molecular Sensors and Ion Detection ; Supramolecular Self-Assembly in Materials
Authors: Tommaso Pincelli | Thomas Vasileiadis | Shuo Dong | Samuel Beaulieu | Maciej Dendzik | Daniela Zahn | Sang‐Eun Lee | H. Seiler | Yingpeng Qi | R. Patrick Xian | Julian Maklar | Emerson Coy | Niclas S. Mueller | Yu Okamura | Stephanie Reich | Martin Wolf | Laurenz Rettig | Ralph Ernstorfer
Source: Advanced Materials (article, 2022-12-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Observation of Multi‐Directional Energy Transfer in a Hybrid Plasmonic–Excitonic Nanostructure Hybrid plasmonic devices involve a nanostructured metal supporting localized surface plasmons to amplify light-matter interaction, and a non-plasmonic material to functionalize charge excitations. Application-relevant epitaxial heterostructures, however, give rise to ballistic ultrafast dynamics that challenge the conventional semiclassical understanding of unidirectional nanometal-to-substrate energy transfer. Epitaxial Au nanoislands are studied on WSe<sub>2</sub> with time- and angle-resolved photoemission spectroscopy and femtosecond electron diffraction: this combination of techniques resolves material, energy, and momentum of charge-carriers and phonons excited in the heterostructure. A strong non-linear plasmon-exciton interaction that transfers the energy of sub-bandgap photons very efficiently to the semiconductor is observed, leaving the metal cold until non-radiative exciton recombination heats the nanoparticles on hundreds of femtoseconds timescales. The results resolve a multi-directional energy exchange on timescales shorter than the electronic thermalization of the nanometal. Electron-phonon coupling and diffusive charge-transfer determine the subsequent energy flow. This complex dynamics opens perspectives for optoelectronic and photocatalytic applications, while providing a constraining experimental testbed for state-of-the-art modelling. Materials science ; Femtosecond ; Plasmon ; Exciton ; Phonon ; Heterojunction ; Thermalisation ; Optoelectronics ; Excited state ; Femtochemistry ; Semiconductor ; Condensed matter physics ; Physics ; Laser ; Atomic physics ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Chalcogenide Semiconductor Thin Films ; Quantum Dots Synthesis And Properties
Authors: Rebecca Lindsey | Nir Goldman | Laurence E. Fried | Sorin Bastea
Source: Nature Communications (article, 2022-03-17)
Field: Materials Science — Materials Chemistry

Chemistry-mediated Ostwald ripening in carbon-rich C/O systems at extreme conditions There is significant interest in establishing a capability for tailored synthesis of next-generation carbon-based nanomaterials due to their broad range of applications and high degree of tunability. High pressure (e.g., shockwave-driven) synthesis holds promise as an effective discovery method, but experimental challenges preclude elucidating the processes governing nanocarbon production from carbon-rich precursors that could otherwise guide efforts through the prohibitively expansive design space. Here we report findings from large scale atomistically-resolved simulations of carbon condensation from C/O mixtures subjected to extreme pressures and temperatures, made possible by machine-learned reactive interatomic potentials. We find that liquid nanocarbon formation follows classical growth kinetics driven by Ostwald ripening (i.e., growth of large clusters at the expense of shrinking small ones) and obeys dynamical scaling in a process mediated by carbon chemistry in the surrounding reactive fluid. The results provide direct insight into carbon condensation in a representative system and pave the way for its exploration in higher complexity organic materials. They also suggest that simulations using machine-learned interatomic potentials could eventually be employed as in-silico design tools for new nanomaterials. Ostwald ripening ; Carbon fibers ; Nanotechnology ; Expansive ; Nanomaterials ; Condensation ; Molecular dynamics ; Chemistry ; Chemical physics ; Materials science ; Physics ; Computational chemistry ; Thermodynamics Diamond and Carbon-based Materials Research ; High-pressure geophysics and materials ; Machine Learning in Materials Science
Authors: Alexander Balitskii | V.V. Dmytryk | L.M. Ivaskevich | О.A. Balitskii | A.V. Glushko | Lev B. Medovar | K. F. Abramek | Ganna Stovpchenko | Jacek Eliasz | Marcin Królikowski
Source: Energies (article, 2022-08-18)
Field: Materials Science — Materials Chemistry

Improvement of the Mechanical Characteristics, Hydrogen Crack Resistance and Durability of Turbine Rotor Steels Welded Joints This article is devoted to the following issues: calculating the values of temperatures obtained by simulating welding heating and the subsequent implementation of the welding process at the given mode parameters made it possible to obtain a welded joint of the rotor with an improved initial structure and increased mechanical properties, hydrogen resistance and durability by up to 10–15%; simulating welding heating in the areas of fusion, the overheating and normalization of the HAZ and the formation of austenite grains; specified welding heating creates the conditions for the formation of new products of austenite decomposition in the form of sorbitol in the area of the incomplete recrystallization of the HAZ. In air and gaseous hydrogen, the destruction of the combined joints took place on the weld metal, as well as on the fusion areas, the overheating and the incomplete recrystallization of the HAZ of 20H3NMFA steel as the base metal. Structural materials have a relatively low strength and high fracture toughness in air. This is manifested in a significant reduction in the elongation (δ), the area (ψ) and critical stress intensity factor (KIc) of welded joints and the endurance limit of cylindrical smooth rotor steel specimens, which were cut from transverse templates. Welded joints in the whole range of load amplitudes are sensitive to the action of hydrogen. Materials science ; Welding ; Metallurgy ; Overheating (electricity) ; Austenite ; Composite material ; Toughness ; Base metal ; Microstructure Material Properties and Failure Mechanisms ; Engineering Diagnostics and Reliability ; Engineering and Environmental Studies
Authors: Kevin Oliveira | Alexandra Teixeira | José Maria Fernandes | Cláudia Lopes | Alexandre Chícharo | Paulina Piairo | Lei Wu | Laura Rodríguez‐Lorenzo | Lorena Diéguez | Sara Abalde‐Cela
Source: Advanced Optical Materials (article, 2022-11-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multiplex SERS Phenotyping of Single Cancer Cells in Microdroplets Abstract In the context of personalized medicine, the analysis of single cells is key in order to understand the origin and evolution of cancer to provide an accurate prognosis. Microfluidics and microdroplets are increasingly used for the handling and understanding of the behavior of single cells, as they offer the perfect isolated environment. However, due to the small volumes handled, it is necessary to couple this technology with an ultrasensitive detection technique. Herein, surface‐enhanced Raman scattering (SERS) spectroscopy and droplet microfluidics are combined toward the multiplex phenotypic analysis of single cancer cells. For this, cancer cells are labeled with different SERS tags that recognize membrane proteins and encapsulated individually in microdroplets. Afterward, single cells within microdroplets are imaged by SERS spectroscopy. To the best of the authors’ knowledge, this is the first time that a multiplex phenotypic SERS analysis of single cells in microdroplets is shown. This integrated optofluidic platform paves the way toward the multiplex and automated characterization of cell populations in cancer patients. Multiplex ; Microfluidics ; Context (archaeology) ; Nanotechnology ; Cancer cell ; Materials science ; Personalized medicine ; Cancer detection ; Precision medicine ; Single-cell analysis ; Surface-enhanced Raman spectroscopy ; Optofluidics ; Raman scattering ; Cancer ; Raman spectroscopy ; Cell ; Chemistry ; Bioinformatics ; Biology ; Optics ; Physics ; Biochemistry ; Genetics Gold and Silver Nanoparticles Synthesis and Applications ; Innovative Microfluidic and Catalytic Techniques Innovation ; Biosensors and Analytical Detection
Authors: Yueting Sun | Wenyu Shi | Quan Zhang | Haiqiong Guo | Zhaoming Dong | Ping Zhao | Qingyou Xia
Source: International Journal of Molecular Sciences (article, 2022-12-23)
Field: Materials Science — Biomaterials

Multi-Omics Integration to Reveal the Mechanism of Sericin Inhibiting LPS-Induced Inflammation Sericin is a natural protein with high application potential, but the research on its efficacy is very limited. In this study, the anti-inflammatory mechanism of sericin protein was investigated. Firstly, the protein composition of sericin extracts was determined by Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS). This was then combined with Enzyme-linked Immunosorbent Assay (ELISA) and Quantitative Real-time PCR (qRT-PCR), and it was confirmed that the anti-inflammation ability of sericin was positively correlated with the purity of sericin 1 protein. Finally, RNA-seq was performed to quantify the inhibitory capacity of sericin sample SS2 in LPS-stimulated macrophages. The gene functional annotation showed that SS2 suppressed almost all PRRs signaling pathways activated by lipopolysaccharides (LPS), such as the Toll-like receptors (TLRs) and NOD-like receptors (NLRs) signaling pathways. The expression level of adaptor gene MyD88 and receptor gene NOD1 was significantly down-regulated after SS2 treatment. SS2 also reduced the phosphorylation levels of NF-κB P65, P38, and JNK, thereby reducing the expressions of IL-1β, IL-6, INOS, and other inflammatory cytokines. It was confirmed that sericin inhibited LPS-induced inflammation through MyD88/NF-κB pathway. This finding provides necessary theoretical support for sericin development and application. Sericin ; Inflammation ; Chemistry ; Signal transduction ; Receptor ; Toll-like receptor ; Lipopolysaccharide ; TLR4 ; Cell biology ; Molecular biology ; Biochemistry ; Biology ; Immunology ; Innate immune system ; Medicine Silk-based biomaterials and applications ; Antimicrobial Peptides and Activities ; Protein Hydrolysis and Bioactive Peptides
Authors: Pengyao Ju | Wei Qi | Bixuan Guo | Wanting Liu | Qiaolin Wu | Qing Su
Source: Catalysis Letters (article, 2022-08-21)
Field: Materials Science — Materials Chemistry

Highly Stable and Versatile Conjugated Microporous Polymer for Heterogeneous Catalytic Applications Conjugated microporous polymer ; Knoevenagel condensation ; Catalysis ; Malononitrile ; Chemistry ; Microporous material ; Heterogeneous catalysis ; Organometallic chemistry ; Polymer chemistry ; Condensation reaction ; Polymer ; Aldehyde ; Polymerization ; Organic chemistry ; Combinatorial chemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis
Authors: Gustavo Lanza | Mawin J.M. Jimenez | F. Alvarez | J. Pérez | Alba Ávila
Source: ACS Omega (article, 2022-09-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Valence State Tuning of Gold Nanoparticles in the Dewetting Process: An X-ray Photoelectron Spectroscopy Study Gold nanoparticles (AuNPs) are commonly synthesized using the citrate reduction method, reducing Au<sup>3+</sup> into Au<sup>1+</sup> ions and facilitating the disproportionation of aurous species to Au atoms (Au<sup>0</sup>). This method results on citrate-capped AuNPs with valence single states Au<sup>0</sup>. Here, we report a methodology that allows obtaining AuNPs by the dewetting process with three different valence states (Au<sup>3+</sup>, Au<sup>1+</sup>, and Au<sup>0</sup>), which can be fine-tuned with ion bombardment. The chemical surface changes and binding state of the NPs were investigated using core-level X-ray photoelectron spectroscopy (XPS). This is achieved by recording high-resolution Au 4f XPS spectra as a function of ion dose exposure. The results obtained show a time-dependent tuning effect on the Au valence states using low-energy 200 V acceleration voltage Ar<sup>+</sup> ion bombardment, and the valence state conversion kinetics involves the reduction from Au<sup>3+</sup> and Au<sup>1+</sup> to Au<sup>0</sup>. Proper control of the reduction in the valence states is critical in surface engineering for controlling catalytic reactions. X-ray photoelectron spectroscopy ; Valence (chemistry) ; Dewetting ; Ion ; Disproportionation ; Nanoparticle ; Chemical state ; Analytical Chemistry (journal) ; Colloidal gold ; Materials science ; Spectroscopy ; Chemistry ; Catalysis ; Nanotechnology ; Nuclear magnetic resonance ; Thin film Gold and Silver Nanoparticles Synthesis and Applications ; nanoparticles nucleation surface interactions ; Catalytic Processes in Materials Science
Authors: Hassan Karimi‐Maleh | İshak Afşin Kari̇per | Ceren Karaman | Satiye Korkmaz | Onur Karaman
Source: Fuel (article, 2022-06-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Direct utilization of radioactive irradiated graphite as a high-energy supercapacitor a promising electrode material Supercapacitor ; Materials science ; Energy storage ; Graphite ; Electrode ; Raman spectroscopy ; Nanotechnology ; Irradiation ; Electrolyte ; Chemical engineering ; Electrochemistry ; Composite material ; Chemistry ; Optics ; Power (physics) Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced Battery Technologies Research
Authors: Kira I. Pashanova | Irina V. Ershova | O. Yu. Trofimova | R. V. Rumyantсev | Georgy K. Fukin | A.S. Bogomyakov | Maxim V. Arsenyev | Alexandr V. Piskunov
Source: Molecules (article, 2022-11-24)
Field: Chemistry — Physical and Theoretical Chemistry

Charge Transfer Chromophores Derived from 3d-Row Transition Metal Complexes A series of new charge transfer (CT) chromophores of "α-diimine-M<sup>II</sup>-catecholate" type (where M is 3d-row transition metals-Cu, Ni, Co) were derived from 4,4'-di-<i>tert</i>-butyl-2,2'-bipyridyl and 3,6-di-<i>tert</i>-butyl-<i>o</i>-benzoquinone (<b>3,6-DTBQ</b>) in accordance with three modified synthetic approaches, which provide high yields of products. A square-planar molecular structure is inherent for monomeric <b>[Cu<sup>II</sup>(3,6-Cat)(bipy<i><sup>t</sup></i><sup>Bu</sup>)]∙THF</b> (<b>1</b>) and <b>Ni<sup>II</sup>(3,6-Cat)(bipy<i><sup>t</sup></i><sup>Bu</sup>)</b> (<b>2</b>) chromophores, while dimeric complex <b>[Co<sup>II</sup>(3,6-Cat)(bipy<i><sup>t</sup></i><sup>Bu</sup>)]<sub>2</sub>∙toluene</b> (<b>3</b>) units two substantially distorted heteroleptic D-M<sup>II</sup>-A (where D, M, A are donor, metal and acceptor, respectively) parts through a donation of oxygen atoms from catecholate dianions. Chromophores <b>1</b>-<b>3</b> undergo an effective photoinduced intramolecular charge transfer (λ = 500-715 nm, extinction coefficient up to 10<sup>4</sup> M<sup>-1</sup>·cm<sup>-1</sup>) with a concomitant generation of a less polar excited species, the energy of which is a finely sensitive towards solvent polarity, ensuring a pronounced negative solvatochromic effect. Special attention was paid to energetic characteristics for CT and interacting HOMO/LUMO orbitals that were explored by a synergy of UV-vis-NIR spectroscopy, cyclic voltammetry, and DFT study. The current work sheds light on the dependence of CT peculiarities on the nature of metal centers from various groups of the periodic law. Moreover, the "α-diimine-M<sup>II</sup>-catecholate" CT chromophores on the base of "late" transition elements with differences in d-level's electronic structure were compared for the first time. Chromophore ; Intramolecular force ; Solvatochromism ; Photochemistry ; Chemistry ; Excited state ; HOMO/LUMO ; Transition metal ; Acceptor ; Crystallography ; Diimine ; Molecule ; Stereochemistry ; Organic chemistry ; Atomic physics Photochemistry and Electron Transfer Studies ; Porphyrin and Phthalocyanine Chemistry ; Oxidative Organic Chemistry Reactions
Authors: Yusuke Kuramochi | Ren Sato | Hiroki Sakuma | Akiharu Satake
Source: Chemical Science (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Photocatalytic CO<sub>2</sub>reduction sensitized by a special-pair mimic porphyrin connected with a rhenium(<scp>i</scp>) tricarbonyl complex Zn porphyrins with an imidazolyl group at the <i>meso</i> position generate a highly stable porphyrin dimer by complementary coordination from the imidazolyl to the Zn ion in noncoordinating solvents such as chloroform, which mimics the natural special pair in photosynthesis. In this work, we have synthesized an imidazolyl-substituted Zn porphyrin connected with a Re 2,2-bipyridine tricarbonyl complex as a CO<sub>2</sub> reduction catalyst <i>via</i> a <i>p</i>-phenylene linker, affording a homodimer with two Re complexes on both sides (ReDRe). The dimeric structure is easily dissociated into the corresponding monomers in coordinating solvents. Therefore, we prepared a mixture containing a heterodimer with the Re carbonyl complex on one side (ReD) by simple mixing with an imidazolyl Zn porphyrin and evaporating the solvent. Using the Grubbs catalyst, the subsequent olefin metathesis reaction of the mixture gave covalently linked porphyrin dimers through the allyloxy side chains, enabling the isolation of the stable hetero- (ReD') and homo-dimers (ReD'Re) with gel permeation chromatography. The Zn porphyrin dimers have intense absorption bands in the visible light region and acted as good photosensitizers in photocatalytic CO<sub>2</sub> reduction in a mixture of <i>N</i>,<i>N</i>-dimethylacetamide and triethanolamine (5 : 1 v/v) containing 1,3-dimethyl-2-phenyl-2,3-dihydro-<i>1H</i>-benzo[<i>d</i>]imidazole as the electron donor, giving CO with high selectivity and durability. Under irradiation with strong light intensity, the reaction rate in ReD' exceeded that of the previous porphyrin[double bond, length as m-dash]Re complex dyad, ZnP-phen=Re. For instance, after irradiation at 560 nm for 18 h, the turnover number (TON<sub>CO</sub>) of ReD' reached 2800, whereas the TON<sub>CO</sub> of ZnP-phen=Re was 170. The high activity in the system using the porphyrin dimer originates from no accumulation of the one-electron reduced species of the porphyrin that inhibit light absorption due to the inner-filter effect. Rhenium ; Porphyrin ; Photocatalysis ; Reduction (mathematics) ; Chemistry ; Photochemistry ; Inorganic chemistry ; Catalysis ; Organic chemistry ; Mathematics Porphyrin and Phthalocyanine Chemistry ; CO2 Reduction Techniques and Catalysts ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Cristina Gila‐Vilchez | Laura Rodríguez‐Arco | Mari C. Mañas‐Torres | Luı́s Álvarez de Cienfuegos | Modesto T. López‐López
Source: Current Opinion in Colloid & Interface Science (article, 2022-10-18)
Field: Materials Science — Biomaterials

Self-assembly in magnetic supramolecular hydrogels Most recent advances in the synthesis of supramolecular hydrogels based on low molecular weight gelators (LMWGs) have focused on the development of novel hybrid hydrogels, combining LMWGs and different additives. The dynamic nature of the noncovalent interactions of supramolecular hydrogels, together with the specific properties of the additives included in the formulation, allow these novel hybrid hydrogels to present interesting features, such as stimuliresponsiveness, gel-sol reversibility, self-healing and thixotropy, which make them very appealing for multiple biomedical and biotechnological applications. In particular, the inclusion of magnetic nanoparticles in the hydrogel matrix results in magnetic hydrogels, a particular type of stimuli-responsive materials that respond to applied magnetic fields. This review focuses on the recent advances in the development of magnetic supramolecular hydrogels, with special emphasis in the role of the magnetic nanoparticles in the self-assembly process, as well as in the exciting applications of these materials. Self-healing hydrogels ; Supramolecular chemistry ; Nanotechnology ; Materials science ; Magnetic nanoparticles ; Self-assembly ; Thixotropy ; Nanoparticle ; Chemistry ; Polymer chemistry ; Molecule ; Organic chemistry ; Composite material Supramolecular Self-Assembly in Materials ; Hydrogels: synthesis, properties, applications ; Nanoparticle-Based Drug Delivery