jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Roman A. Verkhovskii | А. V. Ermakov | Olga A. Sindeeva | Ekaterina S. Prikhozhdenko | Anastasiia Kozlova | O. Grishin | Mikhail A. Makarkin | Dmitry A. Gorin | Daniil N. Bratashov
Source: Pharmaceutics (article, 2021-12-14)
Field: Materials Science — Biomaterials

Effect of Size on Magnetic Polyelectrolyte Microcapsules Behavior: Biodistribution, Circulation Time, Interactions with Blood Cells and Immune System Drug carriers based on polyelectrolyte microcapsules remotely controlled with an external magnetic field are a promising drug delivery system. However, the influence of capsule parameters on microcapsules' behavior in vivo is still ambiguous and requires additional study. Here, we discuss how the processes occurring in the blood flow influence the circulation time of magnetic polyelectrolyte microcapsules in mouse blood after injection into the blood circulatory system and their interaction with different blood components, such as WBCs and RBCs. The investigation of microcapsules ranging in diameter 1-5.5 μm allowed us to reveal the dynamics of their filtration by vital organs, cytotoxicity, and hemotoxicity, which is dependent on their size, alongside the efficiency of their interaction with the magnetic field. Our results show that small capsules have a long circulation time and do not affect blood cells. In contrast, the injection of large 5.5 μm microcapsules leads to fast filtration from the blood flow, induces the inhibition of macrophage cell line proliferation after 48 h, and causes an increase in hemolysis, depending on the carrier concentration. The obtained results reveal the possible directions of fine-tuning microcapsule parameters, maximizing capsule payload without the side effects for the blood flow or the blood cells. Biodistribution ; Polyelectrolyte ; Blood circulation ; Immune system ; Microsphere ; Chemistry ; Biophysics ; Nanotechnology ; Materials science ; Chemical engineering ; Immunology ; Medicine ; Biology ; Biochemistry ; Polymer Electrospun Nanofibers in Biomedical Applications ; Nanoparticle-Based Drug Delivery ; Hydrogels: synthesis, properties, applications
Authors: Serena Pillitteri | Prabhat Ranjan | Leonid G. Voskressensky | Erik V. Van der Eycken | Upendra K. Sharma
Source: Molecular Catalysis (article, 2021-09-01)
Field: Chemistry — Organic Chemistry

Alkylation of in situ generated imines via photoactivation of strong aliphatic C-H bonds Chemoselectivity ; Electrophile ; Alkylation ; Chemistry ; Photoredox catalysis ; Catalysis ; Photocatalysis ; Photochemistry ; Combinatorial chemistry ; Radical ; Polyoxometalate ; Oxidizing agent ; Organic chemistry Catalytic C–H Functionalization Methods ; Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques
Authors: Monika Kumari | Chi‐Hsien Liu | Wei‐Chi Wu | Chun‐Chao Wang
Source: Journal of Materials Science (article, 2021-01-15)
Field: Materials Science — Materials Chemistry

Gene delivery using layer-by-layer functionalized multi-walled carbon nanotubes: design, characterization, cell line evaluation Materials science ; Carbon nanotube ; Polyethylenimine ; Thermogravimetric analysis ; Layer by layer ; Chemical engineering ; Dynamic light scattering ; Nanotechnology ; Layer (electronics) ; Nanoparticle ; Transfection ; Chemistry Carbon Nanotubes in Composites ; Graphene and Nanomaterials Applications ; Neuroscience and Neural Engineering
Authors: Akinori Saito | Seiji Obata | Yuta Nishina
Source: Applied Surface Science (article, 2021-10-11)
Field: Materials Science — Materials Chemistry

Uniform coating of magnesium oxide crystal with reduced graphene oxide achieves moisture barrier performance Materials science ; Graphene ; Oxide ; Coating ; Magnesium ; Chemical engineering ; Composite material ; Crystal (programming language) ; Moisture ; Thermal conductivity ; Zeta potential ; Nanoparticle ; Nanotechnology ; Metallurgy Magnesium Oxide Properties and Applications ; Graphene research and applications ; Thermal properties of materials
Authors: Dmytro Vlasyuk | Renata Łyszczek
Source: Journal of Inorganic and Organometallic Polymers and Materials (article, 2021-05-17)
Field: Chemistry — Inorganic Chemistry

Effect of Different Synthesis Approaches on Structural and Thermal Properties of Lanthanide(III) Metal–Organic Frameworks Based on the 1H-Pyrazole-3,5-Dicarboxylate Linker Abstract The impact of different synthetic procedures such as: hydrothermal, mechanochemical and precipitation on the structure and thermal properties of coordination polymers of 1H-pyrazole-3,5-dicarboxylic acid (H 3 pdca) with selected lanthanide ions was determined. The prepared complexes of the general formula: Ln 2 (Hpdca) 3 ⋅nH 2 O, where Ln = Eu(III), Nd(III), Tb(III) and Er(III); n = 6 or 7 were fully investigated by: elemental analysis, Energy-Dispersive X-Ray (ED-XRF) and infrared (ATR-FTIR) spectroscopy, powder as well as single-crystal X-ray diffraction methods and thermal analysis (TG-DSC and TG-FTIR) in various atmospheres. It was proved that all used strategies offer high yields of reactions along with crystallinity of the obtained products. The X-ray diffraction methods allowed to conclude that the complexes with the same metal ions exhibit the same crystal structure despite different synthesis routes. On the other hand, the coordination polymers of Eu(III), Tb(III) and Er(III) prepared under different conditions are isomorphous. Only neodymium(III) compounds have a different crystal structure. Thermal stability of the produced complexes was correlated with the synthesis conditions, in particular with the way of energy supply. It was found that the highest thermal stability was exhibited by the complexes prepared under the hydrothermal conditions. Additionally, based on the volatile products of metal complexes decomposition, the mechanism of their pyrolysis was proposed in relation to their structures. Lanthanide ; Thermal stability ; Crystallinity ; Fourier transform infrared spectroscopy ; Powder diffraction ; Thermal decomposition ; Infrared spectroscopy ; Materials science ; Crystal structure ; Metal ions in aqueous solution ; Thermal analysis ; Coordination complex ; Metal ; Inorganic chemistry ; Crystallography ; Physical chemistry ; Chemistry ; Chemical engineering ; Ion ; Organic chemistry ; Thermal Metal-Organic Frameworks: Synthesis and Applications ; Lanthanide and Transition Metal Complexes ; Thermal and Kinetic Analysis
Authors: Anastasia Visheratina | Prashant Kumar | Nicholas A. Kotov
Source: AIChE Journal (article, 2021-09-13)
Field: Materials Science — Biomaterials

Engineering of inorganic nanostructures with hierarchy of chiral geometries at multiple scales Peer Reviewed Chirality (physics) ; Asymmetry ; Mirror symmetry ; Axial chirality ; Planar chirality ; Chemistry ; Physics ; Crystallography ; Nanotechnology ; Chemical physics ; Materials science ; Quantum mechanics ; Enantioselective synthesis ; Chiral symmetry ; Organic chemistry Supramolecular Self-Assembly in Materials ; Porphyrin and Phthalocyanine Chemistry ; Origins and Evolution of Life
Authors: David Campillo | Daniel Escudero | Miguel Baya | Antonio Martı́n
Source: Chemistry - A European Journal (article, 2021-12-28)
Field: Chemistry — Organic Chemistry

Heteropolymetallic Architectures as Snapshots of Transmetallation Processes at Different Degrees of Transfer Novel heteropolymetallic architectures have been built by integrating Pd, Au and Ag systems. The dinuclear [(CNC)(PPh<sub>3</sub> )Pd-<sup>G11</sup> M(PPh<sub>3</sub> )](ClO<sub>4</sub> ) (<sup>G11</sup> M=Au (3), Ag (4); CNC=2,6-diphenylpyridinate) and trinuclear [{(CNC)(PPh<sub>3</sub> )Pd}<sub>2</sub> <sup>G11</sup> M](ClO<sub>4</sub> ) (<sup>G11</sup> M=Au (6), Ag (5)) complexes have been accessed or isolated. Structural and DFT characterization unveil striking interactions of one of the aryl groups of the CNC ligand(s) with the <sup>G11</sup> M center, suggesting these complexes constitute models of transmetallation processes. Further analyses allow to qualitatively order the degree of transfer, proving that Au promotes the highest one and also that Pd systems favor higher degrees than Pt. Consistently, Energy Decomposition Analysis calculations show that the interaction energies follow the order Pd-Au > Pt-Au > Pd-Ag > Pt-Ag. All these results offer potentially useful ideas for the design of bimetallic catalytic systems. Transmetalation ; Bimetallic strip ; Decomposition ; Chemistry ; Catalysis ; Ligand (biochemistry) ; Crystallography ; Organic chemistry Organometallic Complex Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis ; Metal complexes synthesis and properties
Authors: Silvia Schoch | Mouna Hadiji | Sarah A. P. Pereira | M. Lúcia M.F.S. Saraiva | Simona Braccini | Emo Chiellini | Tarita Biver | Stefano Zacchini | Guido Pampaloni | Paul J. Dyson | Fabio Marchetti
Source: Organometallics (article, 2021-07-02)
Field: Chemistry — Organic Chemistry

A Strategy to Conjugate Bioactive Fragments to Cytotoxic Diiron Bis(cyclopentadienyl) Complexes A series of bioactive molecules were synthesized from the condensation of aspirin or chlorambucil with terminal alkynes bearing alcohol or amine substituents. Insertion of the resulting alkynes into the iron-carbyne bond of readily accessible diiron bis(cyclopentadienyl) μ-aminocarbyne complexes, [<b>1a</b>,<b>b</b>]CF<sub>3</sub>SO<sub>3</sub>, afforded novel diiron complexes with a bridging vinyliminium ligand, [<b>2</b>-<b>10</b>]CF<sub>3</sub>SO<sub>3</sub>, functionalized with a bioactive moiety. All compounds were characterized by elemental analysis and IR and multinuclear NMR spectroscopy and in three cases by single-crystal X-ray diffraction. Moreover, the D<sub>2</sub>O solubility, stability in D<sub>2</sub>O and cell culture media, and octanol-water partition coefficients of diiron complexes were determined spectroscopically. The cytotoxicity of the complexes was assessed in the tumorigenic A2780 and A2780cisR and the nontumorigenic HEK 293T cell lines. Some complexes exhibit high potency and the ability to overcome resistance in A2780cisR cells (aspirin complexes) or high selectivity relative to HEK 293T cells (chlorambucil complexes). Further studies indicate that the complexes significantly trigger intracellular ROS production, irrespective of the nature of the bioactive fragment. DNA alkylation and protein binding studies were also undertaken. Chemistry ; Moiety ; Cyclopentadienyl complex ; Phosphonate ; Stereochemistry ; Ligand (biochemistry) ; Cytotoxicity ; Alkylation ; Organic chemistry ; Catalysis ; Receptor ; In vitro Ferrocene Chemistry and Applications ; Organometallic Complex Synthesis and Catalysis ; Metal complexes synthesis and properties
Authors: Parul Johar | Elizabeth L. Rylott | Con Robert McElroy | Avtar S. Matharu | James H. Clark
Source: Green Chemistry (article, 2021-01-01)
Field: Materials Science — Biomaterials

Phytocat – a bio-derived Ni catalyst for rapid de-polymerization of polystyrene using a synergistic approach A bio-derived Ni catalyst (phytocat) was developed using microwave assisted<italic>in-situ</italic>biosynthesis. The efficient use of naturally bound nickel in phytocat was successful in synergistic valorization of polystyrene to yield valuable chemical building blocks. Polystyrene ; Catalysis ; Yield (engineering) ; Nickel ; Polymerization ; Chemistry ; Chemical engineering ; Microwave ; Organic chemistry ; Materials science ; Polymer chemistry ; Combinatorial chemistry ; Polymer ; Metallurgy ; Computer science biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Catalysis for Biomass Conversion
Authors: Sungwon Yoon | A. Alec Talin | Vitalie Stavila | Austin M. Mroz | Thomas D. Bennett | Yuping He | David A. Keen | Christopher H. Hendon | Mark D. Allendorf | Monica C. So
Source: ACS Applied Materials & Interfaces (review, 2021-06-01)
Field: Chemistry — Inorganic Chemistry

From n- to p-Type Material: Effect of Metal Ion on Charge Transport in Metal–Organic Materials An intriguing new class of two-dimensional (2D) materials based on metal-organic frameworks (MOFs) has recently been developed that displays electrical conductivity, a rarity among these nanoporous materials. The emergence of conducting MOFs raises questions about their fundamental electronic properties, but few studies exist in this regard. Here, we present an integrated theory and experimental investigation to probe the effects of metal substitution on the charge transport properties of M-HITP, where M = Ni or Pt and HITP = 2,3,6,7,10,11-hexaiminotriphenylene. The results show that the identity of the M-HITP majority charge carrier can be changed without intentional introduction of electronically active dopants. We observe that the selection of the metal ion substantially affects charge transport. Using the known structure, Ni-HITP, we synthesized a new amorphous material, <i>a-</i>Pt-HITP, which although amorphous is nevertheless found to be porous upon desolvation. Importantly, this new material exhibits p-type charge transport behavior, unlike Ni-HITP, which displays n-type charge transport. These results demonstrate that both p- and n-type materials can be achieved within the same MOF topology through appropriate choice of the metal ion. Materials science ; Nanoporous ; Dopant ; Amorphous solid ; Charge (physics) ; Metal ; Ion ; Nanotechnology ; Chemical physics ; Charge carrier ; Doping ; Optoelectronics ; Crystallography ; Organic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Graphene research and applications
Authors: Riccardo Carloni | Natalia Sanz del Olmo | Barbara Canonico | Mariele Montanari | Caterina Ciacci | Gianluca Ambrosi | F. Javier de la Mata | M. Francesca Ottaviani | Sandra García‐Gallego
Source: European Journal of Medicinal Chemistry (article, 2021-02-15)
Field: Chemistry — Organic Chemistry

Elaborated study of Cu(II) carbosilane metallodendrimers bearing substituted iminopyridine moieties as antitumor agents Chemistry ; Substituent ; HeLa ; Stereochemistry ; Selectivity ; Combinatorial chemistry ; In vitro ; Organic chemistry ; Biochemistry Ferrocene Chemistry and Applications ; Dendrimers and Hyperbranched Polymers ; Metal complexes synthesis and properties
Authors: Bettina Grauel | Christian Würth | Christian Homann | Lisa Krukewitt | Elina Andresen | Janina Roik | Sebastian Recknagel | Markus Haase | Ute Resch‐Genger
Source: Nano Research (article, 2021-08-28)
Field: Materials Science — Materials Chemistry

Volume and surface effects on two-photonic and three-photonic processes in dry co-doped upconversion nanocrystals Abstract Despite considerable advances in synthesizing high-quality core/shell upconversion (UC) nanocrystals (NC; UCNC) and UCNC photophysics, the application of near-infrared (NIR)-excitable lanthanide-doped UCNC in the life and material sciences is still hampered by the relatively low upconversion luminescence (UCL) of UCNC of small size or thin protecting shell. To obtain deeper insights into energy transfer and surface quenching processes involving Yb 3+ and Er 3+ ions, we examined energy loss processes in differently sized solid core NaYF 4 nanocrystals doped with either Yb 3+ (YbNC; 20% Yb 3+ ) or Er 3+ (ErNC; 2% Er 3+ ) and co-doped with Yb 3+ and Er 3+ (YbErNC; 20% Yb 3+ and 2% Er 3+ ) without a surface protection shell and coated with a thin and a thick NaYF 4 shell in comparison to single and co-doped bulk materials. Luminescence studies at 375 nm excitation demonstrate back-energy transfer (BET) from the 4 G 11/2 state of Er 3+ to the 2 F 5/2 state of Yb 3+ , through which the red Er 3+ 4 F 9/2 state is efficiently populated. Excitation power density ( P )-dependent steady state and time-resolved photoluminescence measurements at different excitation and emission wavelengths enable to separate surface-related and volume-related effects for two-photonic and three-photonic processes involved in UCL and indicate a different influence of surface passivation on the green and red Er 3+ emission. The intensity and lifetime of the latter respond particularly to an increase in volume of the active UCNC core. We provide a three-dimensional random walk model to describe these effects that can be used in the future to predict the UCL behavior of UCNC. Photon upconversion ; Materials science ; Photoluminescence ; Nanocrystal ; Luminescence ; Doping ; Photonics ; Quenching (fluorescence) ; Excitation ; Passivation ; Optoelectronics ; Nanotechnology ; Optics ; Fluorescence Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Radiation Detection and Scintillator Technologies
Authors: Saveh Djalali | Pablo Simón Marqués | Bradley D. Frank | Lukas Zeininger
Source: Advanced Functional Materials (article, 2021-10-07)
Field: Materials Science — Biomaterials

Crown Ether‐Functionalized Complex Emulsions as an Artificial Adaptive Material Platform Abstract Responsive materials capable of autonomously regulating and adapting to molecular recognition‐induced chemical events hold great promise in the design of artificial chemo‐intelligent life‐like soft material platforms. In this context, the design of a synthetically minimal artificial emulsion platform that, regulated by interfacial supramolecular recognition events, is capable to autonomously and reversibly adapt to its chemical environment is reported. The systems exhibit programmed up‐ and down‐regulating capabilities that are realized via selective assembly of synthesized crown ether surfactants onto one hemisphere of anisotropic biphasic emulsion droplets. Dynamic and reversible interfacial host–guest complexation of, for example, metal and ammonium ions or amino acids transduce into interface‐triggered morphological reconfigurations of the complex emulsion droplets, which mediate their ability to selectively present, hide, or expand liquid–liquid interfaces. The separate responsive modalities are then used to showcase the utility of such adaptive soft material platforms for a self‐regulated uptake and release of metal ions or phase‐transfer catalysts, a biomimetic recognition of biomolecules including amino acids, carbohydrates, and antibodies, and for triggered surface‐encoded payload release applications. Materials science ; Crown ether ; Supramolecular chemistry ; Biomolecule ; Context (archaeology) ; Nanotechnology ; Molecular recognition ; Emulsion ; Metal ions in aqueous solution ; Combinatorial chemistry ; Ion ; Molecule ; Metal ; Organic chemistry ; Chemistry Supramolecular Self-Assembly in Materials ; Innovative Microfluidic and Catalytic Techniques Innovation ; Pickering emulsions and particle stabilization
Authors: Soeun Gim | Giulio Fittolani | Yang Yu | Yuntao Zhu | Peter H. Seeberger | Yu Ogawa | Martina Delbianco
Source: Chemistry - A European Journal (article, 2021-07-12)
Field: Materials Science — Biomaterials

Targeted Chemical Modifications Identify Key Features of Carbohydrate Assemblies and Generate Tailored Carbohydrate Materials The molecular level description of carbohydrate assemblies is hampered by their structural complexity and the lack of suitable analytical methods. Here, we employed systematic chemical modifications to identify key non-covalent interactions that triggered the supramolecular assembly of a disaccharide model. While some modifications disrupted the supramolecular organization, others were tolerated, delivering important information on the aggregation process. The screening identified new geometries, including nanotubes, and twisted ribbons that were characterized with electron tomography and electron diffraction (ED) methods. This work demonstrates that the combination of synthetic chemistry and ED methods is a powerful tool to draw correlations between the molecular structure and the nanoscale architecture of carbohydrate assemblies. Supramolecular chemistry ; Carbohydrate ; Nanotechnology ; Chemistry ; Molecule ; Carbohydrate chemistry ; Materials science ; Organic chemistry Supramolecular Self-Assembly in Materials ; Glycosylation and Glycoproteins Research ; Carbohydrate Chemistry and Synthesis
Authors: Riccardo Zecchi | Pietro Franceschi | Laura Tigli | Davide Amidani | Chiara Catozzi | Francesca Ricci | Fabrizio Salomone | Giuseppe Pieraccini | Barbara Pioselli | Valentina Mileo
Source: Analytical and Bioanalytical Chemistry (article, 2021-05-17)
Field: Chemistry — Spectroscopy

Sample preparation strategy for the detection of steroid-like compounds using MALDI mass spectrometry imaging: pulmonary distribution of budesonide as a case study Corticosteroids as budesonide can be effective in reducing topic inflammation processes in different organs. Therapeutic use of budesonide in respiratory diseases, like asthma, chronic obstructive pulmonary disease, and allergic rhinitis is well known. However, the pulmonary distribution of budesonide is not well understood, mainly due to the difficulties in tracing the molecule in lung samples without the addition of a label. In this paper, we present a matrix-assisted laser desorption/ionization mass spectrometry imaging protocol that can be used to visualize the pulmonary distribution of budesonide administered to a surfactant-depleted adult rabbit. Considering that budesonide is not easily ionized by MALDI, we developed an on-tissue derivatization method with Girard's reagent P followed by ferulic acid deposition as MALDI matrix. Interestingly, this sample preparation protocol results as a very effective strategy to raise the sensitivity towards not only budesonide but also other corticosteroids, allowing us to track its distribution and quantify the drug inside lung samples. Budesonide ; Chemistry ; Mass spectrometry ; Chromatography ; Asthma ; Mass spectrometry imaging ; Internal medicine ; Medicine Mass Spectrometry Techniques and Applications ; Inhalation and Respiratory Drug Delivery ; Advanced Chemical Sensor Technologies
Authors: Büsra Bor | Diletta Giuntini | Berta Domènech | Alexander Plunkett | Michael Kampferbeck | Tobias Voßmeyer | Horst Weller | Ingo Scheider | Gerold A. Schneider
Source: Applied Physics Reviews (article, 2021-09-01)
Field: Materials Science — Biomaterials

Constitutive and fracture behavior of ultra-strong supercrystalline nanocomposites Supercrystalline nanocomposites are a new class of hybrid and nanostructured materials that can reach exceptional mechanical strength and can be fabricated at low temperatures. Hierarchically arranged, they bridge the gap from the nano- to the macro-scale. Even though their mechanical properties are starting to be characterized, their constitutive behavior is still largely unexplored. Here, the mechanical behavior of supercrystalline nanocomposites of iron oxide nanoparticles, surface-functionalized with oleic acid and oleyl phosphate ligands, is investigated in both bending and compression, with loading–unloading tests. A new bar geometry is implemented to better detect deformation prior to unstable crack propagation, and notched bending bars are tested to evaluate fracture toughness. Micro-mechanical tests result in the values of strength and elastic modulus that are extremely high for supercrystals, reaching record-high numbers in the oleic acid-based nanocomposites, which also show a significant tension–compression asymmetry. The constitutive behavior of both materials is predominantly linear elastic, with some more marked nonlinearities arising in the oleyl phosphate-based nanocomposites. The fracture toughness of both types of nanocomposites, ∼0.3 MPa√m, suggests that extrinsic toughening, associated with both material composition and nanostructure, plays an important role. Fractographic observations reveal analogies with shear and cleavage in atomic crystals. The influence of material composition, nanostructure, and processing method on the mechanical behavior of the nanocomposites is analyzed. Materials science ; Composite material ; Nanocomposite ; Toughness ; Fracture toughness ; Bending ; Nanostructure ; Elastic modulus ; Nanotechnology Calcium Carbonate Crystallization and Inhibition ; Polymer crystallization and properties ; Energetic Materials and Combustion