jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shiqing Jin | Zhen Wang | Didi Li | Yiming Wang | Minghui Zhu
Source: ChemCatChem (article, 2024-01-03)
Field: Materials Science — Materials Chemistry

Effect of Gas Environment on Metal‐Support Interactions of Supported Metal Catalysts Abstract Supported‐metal catalysts, pivotal for industrial applications, have their catalytic properties affected by metal‐support interactions (MSIs), which notably influence both their electronic and geometric characteristics. Therefore, understanding internal and external factors that influence MSIs is crucial for the rational design of catalysts. Our minireview focuses on the effects of the gas environment on the MSIs, particularly the morphological changes in metal nanoparticles, the migrating behavior of reducible supports (strong metal‐support interaction), and the compositional rearrangement of the catalysts (reactive metal‐support interaction). Future directions are suggested to elucidate the fundamental aspects of gas environment induced structural reconstruction of catalysts, including the quantitative analysis of dynamic behavior of both the surface and interface, atomic‐level insights into the structures of the metal, support, and interface under pertinent conditions through advanced in situ/operando characterization, and the in situ manipulation of structural reconstruction. Catalysis ; Metal ; Characterization (materials science) ; Rational design ; In situ ; Nanotechnology ; Materials science ; Heterogeneous catalysis ; Interface (matter) ; Chemistry ; Chemical physics ; Chemical engineering ; Molecule ; Organic chemistry ; Metallurgy Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Electrocatalysts for Energy Conversion
Authors: Soraya Learte‐Aymamí | Laura Martínez-Castro | Carmen González-González | Miriam Condeminas | Pau Martín-Malpartida | María Tomás‐Gamasa | Sandra Baúlde | José R. Couceiro | Jean‐Didier Maréchal | María J. Macias | José L. Mascareñas | M. Eugenio Vázquez
Source: JACS Au (article, 2024-06-23)
Field: Chemistry — Organic Chemistry

De Novo Engineering of Pd-Metalloproteins and Their Use as Intracellular Catalysts The development of transition metal-based catalytic platforms that promote bioorthogonal reactions inside living cells remains a major challenge in chemical biology. This is particularly true for palladium-based catalysts, which are very powerful in organic synthesis but perform poorly in the cellular environment, mainly due to their rapid deactivation. We now demonstrate that grafting Pd(II) complexes into engineered β-sheets of a model WW domain results in cell-compatible palladominiproteins that effectively catalyze depropargylation reactions inside HeLa cells. The concave shape of the WW domain β-sheet proved particularly suitable for accommodating the metal center and protecting it from rapid deactivation in the cellular environment. A thorough NMR and computational study confirmed the formation of the metal-stapled peptides and allowed us to propose a three-dimensional structure for this novel metalloprotein motif. Bioorthogonal chemistry ; Catalysis ; Metalloprotein ; HeLa ; Palladium ; Chemistry ; Intracellular ; Nanotechnology ; Metal ; Combinatorial chemistry ; Materials science ; Cell ; Biochemistry ; Click chemistry ; Organic chemistry Click Chemistry and Applications ; Peptidase Inhibition and Analysis ; Chemical Synthesis and Analysis
Authors: Dawu Shu | Xinqi Zhang | Bo Han | Wanxin Li | Bingxin Wang | Chengshu Xu
Source: npj Clean Water (article, 2024-09-15)
Field: Chemistry — Organic Chemistry

Enhanced degradation and recycling of reactive dye wastewater using cobalt loaded MXene catalysts Cobalt-based catalysts were synthesized using the molten metal salt method and applied for the degradation of reactive dyeing wastewater. The results demonstrated a degradation of 97.1% for the C.I. Reactive Red 195 solution under the following conditions: 1.0 g/L of Co@MXene, 3 g/L of peroxymonosulfate (PMS), treated at 25 oC for 36 min with initial pH of 7. After adding 20 g/L of NaCl, the dye degradation rate increased to 5.57 times compared to the original rate 0.0894 min−1, but the difference in final degradation was not significant. The enhanced degradation was attributed to the combined action of hydroxyl radicals (•OH), sulfate radicals (SO4•−), and singlet oxygen (1O2). Notably, the Co@MXene catalyst maintained a high dye degradation percentage of 93.5% even after being recycled ten times. The treated dye residue can be recycled for dyeing cotton fabrics with reactive dyes. This study achieves rapid treatment of dye wastewater with wide applicability and provides valuable insights into dye wastewater treatment and environmental remediation. Degradation (telecommunications) ; Cobalt ; Wastewater ; Catalysis ; Materials science ; Waste management ; Chemical engineering ; Environmental science ; Chemistry ; Environmental engineering ; Metallurgy ; Computer science ; Engineering ; Organic chemistry ; Telecommunications Nanomaterials for catalytic reactions ; Advanced Photocatalysis Techniques ; MXene and MAX Phase Materials
Authors: Yansong Ren | Alexander Kravberg | Sheng Xie | Erik Svensson Grape | Zhen Yang | A. Ken Inge | Mingdi Yan | Olof Ramström
Source: Aggregate (article, 2024-09-03)
Field: Materials Science — Materials Chemistry

Stimuli‐responsive enaminitrile molecular switches as tunable AIEgens covering the chromaticity space, operating out‐of‐equilibrium, and acting as vapor sensors Abstract A family of responsive enaminitrile molecular switches showing tunable turn‐on fluorescence upon switching and aggregation is reported. When activated by the addition of acid/base, isomerization around the C═C bond could be effectuated, resulting in complete and reversible switching to the E ‐ or Z ‐isomers. Typical aggregation‐induced emission (AIE) could be recorded for one specific state of the different switches. By subtle tailoring of the parent structure, a series of compounds with emissions covering almost the full visible color range were obtained. The switchable AIE features of the enaminitrile structures enabled their demonstration as solid‐state chemosensors to detect acidic and basic vapors, where the emission displayed an “off‐on‐off” effect. Furthermore, switching to the Z ‐configuration could be driven out‐of‐equilibrium through transient changes in acidity while giving rise to fluorescence. Single‐crystal X‐ray diffraction measurements suggested a luminescence mechanism based on restriction of intramolecular rotation and an intramolecular charge transfer effect in the AIE luminogens. Chromaticity ; Materials science ; Optoelectronics ; Space (punctuation) ; Nanotechnology ; Computer science ; Artificial intelligence Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Photochromic and Fluorescence Chemistry
Authors: Zhongying Gong | Shan Peng | Juanjuan Cao | Haining Tan | Hongxia Zhao | Jingkun Bai
Source: Nanotechnology (review, 2024-01-10)
Field: Materials Science — Biomaterials

Advances in the variations and biomedical applications of stimuli-responsive nanodrug delivery systems Chemotherapy is an important cancer treatment modality, but the clinical utility of chemotherapeutics is limited by their toxic side effects, inadequate distribution and insufficient intracellular concentrations. Nanodrug delivery systems (NDDSs) have shown significant advantages in cancer diagnosis and treatment. Variable NDDSs that respond to endogenous and exogenous triggers have attracted much research interest. Here, we summarized nanomaterials commonly used for tumor therapy, such as peptides, liposomes, and carbon nanotubes, as well as the responses of NDDSs to pH, enzymes, magnetic fields, light, and multiple stimuli. Specifically, well-designed NDDSs can change in size or morphology or rupture when induced by one or more stimuli. The varying responses of NDDSs to stimulation contribute to the molecular design and development of novel NDDSs, providing new ideas for improving drug penetration and accumulation, inhibiting tumor resistance and metastasis, and enhancing immunotherapy. Drug delivery ; Materials science ; Immunotherapy ; Nanotechnology ; Intracellular ; Cancer therapy ; Cancer research ; Cancer ; Medicine ; Biology ; Cell biology ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Barun Kumar Barman | Hiroyuki Yamada | Keisuke Watanabe | Kenzo Deguchi | Shinobu Ohki | Kenjiro Hashi | Atsushi Goto | Tadaaki Nagao
Source: Advanced Science (article, 2024-06-12)
Field: Materials Science — Materials Chemistry

Rare‐Earth‐Metal‐Free Solid‐State Fluorescent Carbonized‐Polymer Microspheres for Unclonable Anti‐Counterfeit Whispering‐Gallery Emissions from Red to Near‐Infrared Wavelengths Colloidal carbon dots (CDs) have garnered much attention as metal-free photoluminescent nanomaterials, yet creation of solid-state fluorescent (SSF) materials emitting in the deep red (DR) to near-infrared (NIR) range poses a significant challenge with practical implications. To address this challenge and to engineer photonic functionalities, a micro-resonator architecture is developed using carbonized polymer microspheres (CPMs), evolved from conventional colloidal nanodots. Gram-scale production of CPMs utilizes controlled microscopic phase separation facilitated by natural peptide cross-linking during hydrothermal processing. The resulting microstructure effectively suppresses aggregation-induced quenching (AIQ), enabling strong solid-state light emission. Both experimental and theoretical analysis support a role for extended π-conjugated polycyclic aromatic hydrocarbons (PAHs) trapped within these microstructures, which exhibit a progressive red shift in light absorption/emission toward the NIR range. Moreover, the highly spherical shape of CPMs endows them with innate photonic functionalities in combination with their intrinsic CD-based attributes. Harnessing their excitation wavelength-dependent photoluminescent (PL) property, a single CPM exhibits whispering-gallery modes (WGMs) that are emission-tunable from the DR to the NIR. This type of newly developed microresonator can serve as, for example, unclonable anti-counterfeiting labels. This innovative cross-cutting approach, combining photonics and chemistry, offers robust, bottom-up, built-in photonic functionality with diverse NIR applications. Materials science ; Photonics ; Nanotechnology ; Photoluminescence ; Fluorophore ; Fluorescence ; Whispering-gallery wave ; Nanomaterials ; Optoelectronics ; Polymer ; Photonic crystal ; Resonator ; Optics Carbon and Quantum Dots Applications ; Luminescence and Fluorescent Materials ; Nanocluster Synthesis and Applications
Authors: Diogo A. Gálico | Emille M. Rodrigues | Ilias Halimi | Juho Toivola | He Zhao | Jiahui Xu | Jani O. Moilanen | Xiaogang Liu | Eva Hemmer | Muralee Murugesu
Source: Nature Communications (article, 2024-04-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Confining single Er3+ ions in sub-3 nm NaYF4 nanoparticles to induce slow relaxation of the magnetisation Molecular systems known as single-molecule magnets (SMMs) exhibit magnet-like behaviour of slow relaxation of the magnetisation and magnetic hysteresis and have potential application in high-density memory storage or quantum computing. Often, their intrinsic magnetic properties are plagued by low-energy molecular vibrations that lead to phonon-induced relaxation processes, however, there is no straightforward synthetic approach for molecular systems that would lead to a small amount of low-energy vibrations and low phonon density of states at the spin-resonance energies. In this work, we apply knowledge accumulated over the last decade in molecular magnetism to nanoparticles, incorporating Er<sup>3+</sup> ions in an ultrasmall sub-3 nm diamagnetic NaYF<sub>4</sub> nanoparticle (NP) and probing the slow relaxation dynamics intrinsic to the Er<sup>3+</sup> ion. Furthermore, by increasing the doping concentration, we also investigate the role of intraparticle interactions within the NP. The knowledge gained from this study is anticipated to enable better design of magnetically high-performance molecular and bulk magnets for a wide variety of applications, such as molecular electronics. Diamagnetism ; Relaxation (psychology) ; Materials science ; Magnetization ; Chemical physics ; Nanoparticle ; Magnetism ; Ion ; Nanotechnology ; Magnet ; Hysteresis ; Magnetic nanoparticles ; Molecular dynamics ; Condensed matter physics ; Magnetic field ; Chemistry ; Physics ; Computational chemistry Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Advanced NMR Techniques and Applications
Authors: Bin Wu | Faidra Amargianou | Jan‐David Förster | Christopher Pöhlker | Thomas Guy Rauch | Deniz Wong | Christian Schulz | Robert Seidel | Markus Weigand | Martin Oschatz | Tristan Petit
Source: Advanced Functional Materials (article, 2024-06-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Water Confinement in Nitrogen‐Rich Nanoporous Carbon Materials Revealed by In Situ Scanning Transmission X‐Ray Microscopy Abstract The interaction between water molecules and surfaces in porous carbon‐based materials plays a significant role in various fields including but not limited to catalysis, gas sorption, or electrochemical energy storage and conversion. The incorporation of nitrogen enhances the hydrophilicity of typically rather nonpolar carbon‐based materials but the molecular understanding of water chemical configuration in such porous materials remains incomplete. Water adsorption on nitrogen‐containing nanoporous carbon surfaces is governed by a subtle balance between water–water and water–surface hydrogen bonding interactions, which together determine the water structures formed and their stability. In this work, in situ Scanning Transmission X‐ray microscopy performed on individual nanoporous carbon particles under a humid atmosphere is used to elucidate the interactions between nitrogen‐containing carbon surfaces and water molecules. The hydrogen bonding of water is found to be nonuniform within the particles and to depend on the nanopore size and the chemical bonding of nitrogen atoms. The nature of the nitrogen sites interacting with water is further characterized by resonance inelastic X‐ray Scattering and near ambient pressure X‐ray Photoelectron Spectroscopy. This study provides new perspectives on water interaction when confined in nanoporous nitrogen‐rich carbons. Materials science ; In situ ; Nanoporous ; Carbon fibers ; Nanotechnology ; Nitrogen ; Microscopy ; Transmission electron microscopy ; Characterization (materials science) ; Chemical engineering ; Scanning probe microscopy ; Analytical Chemistry (journal) ; Composite material ; Optics ; Environmental chemistry Supercapacitor Materials and Fabrication ; Electrocatalysts for Energy Conversion ; Advancements in Battery Materials
Authors: Yu Tokura | Shibo Xu | Kosuke Yasui | Yuji Nishii | Koji Hirano
Source: Chemical Communications (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Pd-catalysed C–H alkynylation of benzophospholes A palladium-catalysed C2-H alkynylation of benzophospholes with alkynyl bromides has been developed to afford the corresponding phosphole-alkyne conjugations in good to high yields. The C-C triple bond as well as terminal alkyne C-H bond in the obtained products is a good synthetic handle for further manipulations, thus giving the versatile π-conjugated benzophosphole derivatives. The optoelectronic properties of the newly synthesized conjugated benzophospholes are also described. Phosphole ; Alkyne ; Alkynylation ; Conjugated system ; Triple bond ; Chemistry ; Palladium ; Combinatorial chemistry ; Stereochemistry ; Polymer chemistry ; Catalysis ; Double bond ; Organic chemistry ; Polymer Catalytic C–H Functionalization Methods ; Sulfur-Based Synthesis Techniques ; Organophosphorus compounds synthesis
Authors: Rui Quan | Xing‐Zi Li | Zi‐Qi Wang | Yu‐Ping He | Hua Wu
Source: Advanced Science (article, 2024-04-24)
Field: Chemistry — Organic Chemistry

Catalytic Asymmetric Cyclizative Rearrangement of Anilines and Vicinal Diketones to Access 2,2‐Disubstituted Indolin‐3‐ones The efficient synthesis of chiral 2,2-disubstituted indolin-3-ones is of great importance due to its significant synthetic and biological applications. However, catalytic enantioselective methods for de novo synthesis of such heterocycles remain scarce. Herein, a novel cyclizative rearrangement of readily available anilines and vicinal diketones for the one-step construction of enantioenriched 2,2-disubstituted indolin-3-ones is presented. The reaction proceeds through a self-sorted [3+2] heteroannulation/regioselective dehydration/1,2-ester shift process. Only chiral phosphoric acid is employed to promote the entire sequence and simplify the manipulation of this protocol. Various common aniline derivatives are successfully applied to asymmetric synthesis as 1,3-binuclephiles for the first time. Remarkably, the observed stereoselectivity is proposed to originate from an amine-directed regio- and enantioselective ortho-Csp<sup>2</sup>-H addition of the anilines to the ketones. A range of synthetic transformations of the resulting products are demonstrated as well. Enantioselective synthesis ; Vicinal ; Chemistry ; Regioselectivity ; Aniline ; Catalysis ; Amine gas treating ; Combinatorial chemistry ; Stereoselectivity ; Phosphoric acid ; Organocatalysis ; Organic chemistry Axial and Atropisomeric Chirality Synthesis ; Asymmetric Synthesis and Catalysis ; Alkaloids: synthesis and pharmacology
Authors: Roberto Castro‐Muñoz
Source: Separations (article, 2024-02-19)
Field: Materials Science — Materials Chemistry

Nanofiltration-Assisted Concentration Processes of Phenolic Fractions and Carotenoids from Natural Food Matrices In new food formulations, carotenoids and phenolic compounds are likely to be the most sought after food ingredients according to their bioactivity, nutraceutical, nutritional value, and compatibility properties once incorporated into food formulations. Such solutes are naturally present in many plant-based sources, and some portions are directly consumed when enriching food products and formulations; however, some portions, which are contained in the parts of the plant sources not considered edible, including the leaves, peel, and seeds, among other by-products, are commonly wasted. Related to this, scientists have found a new window for obtaining these bioactive molecules, but their recovery remains a challenge. To some extent, the final purification and polishing requires highly selective performance to guarantee the desired properties and concentration. In this regard, membrane technologies, such as nanofiltration (NF), represent an alternative, owing to their highly selective properties when separating low-molecular-weight compounds. NF becomes immediately suitable when the pretreated extracts are subjected to further efficient concentration, fractionation, and polishing of phenolic fractions and carotenoids. The separation efficiency (usually higher than 97%) of NF technology is high according to the low pore size of NF membranes, but the low temperature in process separation also contributes to the separation of thermolabile compounds. Therefore, this paper reviews the ongoing cases of studies reporting the successful separation and polishing of phenolic fractions and carotenoids from distinct sources. In particular, we have focused our attention on the main interactions during the separation process and the drawbacks and advantages of using membranes for such a case study. Nanofiltration ; Membrane ; Chemistry ; Carotenoid ; Fractionation ; Nutraceutical ; Chromatography ; Food science ; Biochemistry Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Membrane Separation Technologies
Authors: Wid Mekseriwattana | Niccolò Silvestri | Rosaria Brescia | Ecem Tiryaki | Jugal Barman | Fatemeh Mohammadzadeh | Nabila Jarmouni | Teresa Pellegrino
Source: Advanced Functional Materials (article, 2024-11-27)
Field: Chemistry — Organic Chemistry

Shape‐Control in Microwave‐Assisted Synthesis: A Fast Route to Size‐Tunable Iron Oxide Nanocubes with Benchmark Magnetic Heat Losses Abstract Iron oxide nanocubes (IONCs) are among the most promising materials in magnetic hyperthermia (MHT) for tumor therapy as they can efficiently convert magnetic energy into heat under alternating magnetic field (AMF). Conventional IONCs syntheses are based on thermal decomposition methods, limited by the long reaction time (hours) and milligram‐scale production; while, solvothermal methods produce gram‐scale amount of high quality IONCs, but, reaction times are of the orders of hours. In this work, a microwave‐assisted route to shape‐control IONCs in which the reaction time is reduced to minutes while achieving a high iron conversion yield up to 80% is reported. The size of the IONCs (range 13–30 nm) is coarse‐tuned by adjusting the amount of benzaldehyde ligand, while fine‐size tuning is achieved by changing temperature and minute‐reaction time. IONCs exhibit superparamagnetic behavior at 298 K with saturation magnetization over 80 emu g IONC −1 and possess high specific absorption rate values (SAR) up to 400 W g Fe −1 at clinical AMF conditions. These results mark a milestone for rapid synthesis of IONCs at high yield conversion of well‐defined size and shape nanocubes with benchmark MHT heat performance while using a fast route, with limited energy consumption which makes this method greener and cheaper than previous ones. Materials science ; Microwave ; Benchmark (surveying) ; Oxide ; Microwave heating ; Iron oxide ; Nanotechnology ; Chemical engineering ; Metallurgy ; Computer science ; Telecommunications Nanomaterials for catalytic reactions ; Microwave-Assisted Synthesis and Applications ; Magnetic Properties and Synthesis of Ferrites
Authors: Xuejiao Zhang | Vesna Šrot | Xu Wu | Klaus Kern | Peter A. van Aken | Kelvin Anggara
Source: Advanced Materials (article, 2024-03-05)
Field: Materials Science — Materials Chemistry

Controlled Formation of Nanoribbons and Their Heterostructures via Assembly of Mass‐Selected Inorganic Ions Control of nanomaterial dimensions with atomic precision through synthetic methods is essential to understanding and engineering of nanomaterials. For single-layer inorganic materials, size and shape controls have been achieved by self-assembly and surface-catalyzed reactions of building blocks deposited at a surface. However, the scope of nanostructures accessible by such approach is restricted by the limited choice of building blocks that can be thermally evaporated onto surfaces, such as atoms or thermostable molecules. Herein this limitation is bypassed by using mass-selected molecular ions obtained via electrospray ionization as building blocks to synthesize nanostructures that are inaccessible by conventional evaporation methods. As the first example, micron-scale production of MoS<sub>2</sub> and WS<sub>2</sub> nanoribbons and their heterostructures on graphene are shown by the self-assembly of asymmetrically shaped building blocks obtained from the electrospray. It is expected that judicious use of electrospray-generated building blocks would unlock access to previously inaccessible inorganic nanostructures. Materials science ; Ion ; Heterojunction ; Nanotechnology ; Inorganic ions ; Chemical engineering ; Optoelectronics ; Organic chemistry ; Chemistry Quantum Dots Synthesis And Properties ; Graphene research and applications ; 2D Materials and Applications