jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yu Shao | Di Han | Yang-Dan Tao | Fengfeng Feng | Ge Han | Bo Hou | Hao Liu | Shuguang Yang | Qiang Fu | Wenbin Zhang
Source: ACS Central Science (article, 2023-02-08)
Field: Materials Science — Materials Chemistry

Leveraging Macromolecular Isomerism for Phase Complexity in Janus Nanograins It remains intriguing whether macromolecular isomerism, along with competing molecular interactions, could be leveraged to create unconventional phase structures and generate considerable phase complexity in soft matter. Herein, we report the synthesis, assembly, and phase behaviors of a series of precisely defined regioisomeric Janus nanograins with distinct core symmetry. They are named B<sub>2</sub>DB<sub>2</sub> where B stands for <i>iso</i>-butyl-functionalized polyhedral oligomeric silsesquioxanes (POSS) and D stands for dihydroxyl-functionalized POSS. While BPOSS prefers crystallization with a flat interface, DPOSS prefers to phase-separate from BPOSS. In solution, they form 2D crystals owing to strong BPOSS crystallization. In bulk, the subtle competition between crystallization and phase separation is strongly influenced by the core symmetry, leading to distinct phase structures and transition behaviors. The phase complexity was understood based on their symmetry, molecular packing, and free energy profiles. The results demonstrate that regioisomerism could indeed generate profound phase complexity. Janus ; Crystallization ; Phase (matter) ; Chemical physics ; Macromolecule ; Symmetry (geometry) ; Core (optical fiber) ; Materials science ; Phase transition ; Crystallography ; Nanotechnology ; Chemistry ; Physics ; Condensed matter physics ; Mathematics ; Organic chemistry Pickering emulsions and particle stabilization ; Supramolecular Self-Assembly in Materials ; Polyoxometalates: Synthesis and Applications
Authors: Carlos G. Díaz-Maroto | Blanca Sáenz de Miera | Laura Collado | José Fermoso | Ondřej Mašek | Patricia Pizarro | David P. Serrano | Inés Moreno | Javier Fermoso
Source: Journal of Environmental Management (article, 2023-03-02)
Field: Materials Science — Materials Chemistry

Removal of NO at low concentration from air in urban built environments by activated miscanthus biochar This work presents an innovative and sustainable approach to remove NO emissions from urban ambient air in confined areas (underground parking areas or tunnels) using low-cost activated carbons obtained from Miscanthus biochar (MSP700) by physical activation (with CO<sub>2</sub> or steam) at temperatures ranging from 800 to 900 °C. The NO removal capacity of the activated biochars was evaluated under different conditions (temperature, humidity and oxygen concentration) and compared against a commercial activated carbon. This last material showed a clear dependence on oxygen concentration and temperature, exhibiting a maximum capacity of 72.6% in air at 20 °C, whilst, its capacity notably decreased at higher temperatures, revealing that physical NO adsorption is the limiting step for the commercial sample that presents limited oxygen surface functionalities. In contrast, MSP700-activated biochars reached nearly complete NO removal (99.9%) at all tested temperatures in air ambient. Those MSP700-derived carbons only required low oxygen concentration (4 vol%) in the gas stream to achieve the full NO removal at 20 °C. Moreover, they also showed an excellent performance in the presence of H<sub>2</sub>O, reaching NO removal higher than 96%. This remarkable activity results from the abundance of basic oxygenated surface groups, which act as active sites for NO/O<sub>2</sub> adsorption, along with the presence of a homogeneous microporosity of 6 Å, which enables intimate contact between NO and O<sub>2</sub>. These features promote the oxidation of NO to NO<sub>2</sub>, which is further retained over the carbon surface. Therefore, the activated biochars studied here could be considered promising materials for the efficient removal of NO at low concentrations from air at moderate temperatures, thus closely approaching real-life conditions in confined spaces. Biochar ; Activated carbon ; Miscanthus ; Adsorption ; Oxygen ; Chemistry ; Carbon fibers ; Chemical engineering ; Pyrolysis ; Environmental chemistry ; Environmental engineering ; Waste management ; Environmental science ; Materials science ; Bioenergy ; Composite material ; Organic chemistry ; Biofuel ; Composite number Catalytic Processes in Materials Science ; Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation
Authors: Masahito Murai | Mako Ito | S. Takahashi | Shigehiro Yamaguchi
Source: Dalton Transactions (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Germanium- and tin-bridged diazulenylmethyl cations: effects of group 14 elements on the structure and properties of π-extended cations Diazulenylmethyl cations bridged with a germanium and tin moiety were synthesized. In these cations, the nature of these elements has impacts on the chemical stability and photophysical properties. Upon aggregation, these cations exhibit absorption bands in the near-infrared region, which are slightly blue-shifted compared to those of silicon-bridged congeners. Germanium ; Tin ; Group (periodic table) ; Carbon group ; Chemistry ; Main group element ; Inorganic chemistry ; Crystallography ; Organic chemistry ; Transition metal ; Silicon ; Catalysis Synthesis and Properties of Aromatic Compounds ; Synthesis and characterization of novel inorganic/organometallic compounds ; Organoboron and organosilicon chemistry
Authors: Syed Jazib Abbas Zaidi | Jae Chan Park | Ji Won Han | Ji Hyeon Choi | Muhammad Aanish Ali | Muhammad Abdul Basit | Tae Joo Park
Source: Small Science (article, 2023-09-24)
Field: Materials Science — Materials Chemistry

Interfaces in Atomic Layer Deposited Films: Opportunities and Challenges Atomic layer deposition (ALD) is an effective method for precise layer-wise growth of thin-film materials and has allowed for substantial progress in a variety of fields. Advances in the technique have instigated high-level interpretations of the relationship between nanostructure architecture and performance. An inherent part in the ALD of films is the underlying interfaces between each material, which plays a significant role in advanced electronics. Considering the impact of sandwiched substructures, it is appropriate to highlight opportunities and challenges faced by applications that rely on these interfaces. This review encompasses the current prospects and obstacles to further performance improvements in ALD-generated interfaces. 2D electron gas, high-<i>k</i> materials, freestanding layered structures, lattice matching, and seed layers, as well as prospects for future research, are explored. Atomic layer deposition ; Nanotechnology ; Nanostructure ; Materials science ; Layer (electronics) ; Electronics ; Variety (cybernetics) ; Thin film ; Engineering physics ; Computer science ; Engineering ; Electrical engineering ; Artificial intelligence Electronic and Structural Properties of Oxides ; Semiconductor materials and devices ; Ferroelectric and Negative Capacitance Devices
Authors: Dariush Khademi Shurmasti | Pezhman Riazi Kermani | Maryam Sarvarian | Chinaza Godswill Awuchi
Source: Food Science & Nutrition (article, 2023-05-07)
Field: Materials Science — Biomaterials

Egg shelf life can be extended using varied proportions of polyvinyl alcohol/chitosan composite coatings Using biopolymers in the form of edible coating as egg eco-friendly packaging is a progressive approach. The blending of biopolymers is one of the procedures for overcoming mechanical weakness and benefiting from their maximum synergistic effect. Aiming to determine the relative ratios of chitosan (CH 4 w/v%) and polyvinyl alcohol (PVA 5 w/v%) in the composition of blended coatings, an experiment was conducted with six treatments (<i>r</i> = 3) including different ratios of CH/PVA (0:0; control, 100:0, 75:25, 50:50, 25:75, and 0:100) wt% in a period of 4 weeks of egg storage at ambient temperature, emphasizing eggshell barrier properties. Based on the eggshell analysis result, SEM images and FTIR spectra demonstrated that the components were firmly integrated into the blended coatings as well as had more intertwined than their pure ones, which was also reflected in the evaluation results of their internal quality parameters. In addition, the results showed that by enhancing the ratio of polyvinyl alcohol from 25 to 75 wt%, the blended coating barrier efficiency was relatively improved (<i>p</i> < .05). Meanwhile, the lowest percentage of weight loss (0.57 ± 0.08%), pH value of albumin (8.30 ± 0.04), the highest values of Haugh unit (61.00 ± 0.07), yolk index (0.37 ± 0.02) were observed in eggs coated with CH/PVA 25:75 wt%. But there was no difference in 50 or 70 wt% PVA significantly. Therefore, the CH/PVA blended coatings containing around 50-75 wt% PVA, as egg biodegradable packaging, can be used to extend the shelf life for 2-3 weeks at ambient temperature. Polyvinyl alcohol ; Eggshell ; Coating ; Materials science ; Chitosan ; Composite number ; Shelf life ; Yolk ; Haugh unit ; Composite material ; Nuclear chemistry ; Chemical engineering ; Chemistry ; Food science ; Organic chemistry ; Body weight Nanocomposite Films for Food Packaging ; Animal Nutrition and Physiology ; Food and Agricultural Sciences
Authors: Simon A. Svatek | Valentina Sacchetti | Laura Rodríguez‐Pérez | Beatriz M. Illescas | Laura Rincón-García | Gabino Rubio‐Bollinger | M. Teresa González | Steven Bailey | Colin J. Lambert | Nazario Martı́n | Nicolás Agraı̈t
Source: Nano Letters (article, 2023-03-27)
Field: Materials Science — Materials Chemistry

Enhanced Thermoelectricity in Metal–[60]Fullerene–Graphene Molecular Junctions The thermoelectric properties of molecular junctions consisting of a metal Pt electrode contacting [60]fullerene derivatives covalently bound to a graphene electrode have been studied by using a conducting-probe atomic force microscope (c-AFM). The [60]fullerene derivatives are covalently linked to the graphene via two <i>meta</i>-connected phenyl rings, two <i>para</i>-connected phenyl rings, or a single phenyl ring. We find that the magnitude of the Seebeck coefficient is up to nine times larger than that of Au-C<sub>60</sub>-Pt molecular junctions. Moreover, the sign of the thermopower can be either positive or negative depending on the details of the binding geometry and on the local value of the Fermi energy. Our results demonstrate the potential of using graphene electrodes for controlling and enhancing the thermoelectric properties of molecular junctions and confirm the outstanding performance of [60]fullerene derivatives. Graphene ; Seebeck coefficient ; Fullerene ; Thermoelectric effect ; Materials science ; Covalent bond ; Electrode ; Metal ; Fermi energy ; Nanotechnology ; Chemical physics ; Chemistry ; Physical chemistry ; Thermal conductivity ; Organic chemistry ; Composite material ; Physics Graphene research and applications ; Molecular Junctions and Nanostructures ; Quantum and electron transport phenomena
Authors: Yitong Wang | Shigeki Mori | Hajime Nakanotani | Chihaya Adachi | Soji Shimizu
Source: Organic Letters (article, 2023-04-23)
Field: Materials Science — Materials Chemistry

Post-Modification of Pyrrolopyrrole Aza-BODIPY toward High Near-Infrared Fluorescence Brightness Pyrrolopyrrole aza-BODIPYs (PPABs), dimeric aza-BODIPY analogues, exhibit intense absorption and fluorescence in the visible and near-infrared (NIR) regions. Here, we developed a facile postmodification by palladium-catalyzed coupling reactions to synthesize a series of donor-acceptor-donor (D-A-D) PPABs. Despite the possible fluorescence quenching dictated by the energy-gap low, D-A-D PPABs exhibit high-fluorescence brightness in the NIR region, implying their potential use as a bright NIR emitter. BODIPY ; Chemistry ; Fluorescence ; Photochemistry ; Quenching (fluorescence) ; Absorption (acoustics) ; Near-infrared spectroscopy ; Infrared ; Acceptor ; Brightness ; Palladium ; Catalysis ; Organic chemistry ; Materials science ; Optics Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Porphyrin and Phthalocyanine Chemistry
Authors: Patrick T. Probst | Yue Dong | Ziwei Zhou | Olha Aftenieva | Andreas Fery
Source: Advanced Optical Materials (article, 2023-11-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Bottom‐Up Assembly of Inorganic Particle‐Based Chiroptical Materials Abstract Chiral artificial nanosystems constructed from inorganic nanoparticles brought about a paradigm shift in chiral sensing, enantioselective catalysis, chiral polarization engineering, and chiral emission due to their strong light–matter interaction and their precisely engineered properties. Especially bottom‐up approaches hold great potential for the inexpensive, scalable production of plasmonic, excitonic, and upconversion chiral materials. This perspective first reviews the state‐of‐the‐art fabrication schemes: chiral molecule‐induced chirality, chiral nanoparticle growth, and assembly of chiral superstructures from achiral building blocks. Next, the emerging field of dynamically tunable chiroptical materials, promising for adaptive thin‐film optics, display technologies, and information encoding, is explored. Here, the strength of chiral assemblies based on their rich tuning mechanisms and their ability for geometrical reconfiguration is highlighted. Finally, promising future directions and opportunities in the field of active chiroptical materials are discussed. Materials science ; Chirality (physics) ; Nanotechnology ; Nanoparticle ; Enantioselective synthesis ; Control reconfiguration ; Plasmon ; Optoelectronics ; Catalysis ; Chiral anomaly ; Computer science ; Organic chemistry ; Physics ; Chemistry Metamaterials and Metasurfaces Applications ; Synthesis and Properties of Aromatic Compounds ; Supramolecular Self-Assembly in Materials
Authors: Samara Medina Rivero | Matías J. Alonso‐Navarro | Claire Tonnelé | José Manuel Marín‐Beloqui | Fátima Suárez‐Blas | Tracey M. Clarke | Seongsoo Kang | Juwon Oh | Mar Ramos | Dongho Kim | David Casanova | José L. Segura | Juan Casado
Source: Journal of the American Chemical Society (article, 2023-12-07)
Field: Chemistry — Spectroscopy

V-Shaped Tröger Oligothiophenes Boost Triplet Formation by CT Mediation and Symmetry Breaking A new family of molecules obtained by coupling Tröger's base unit with dicyanovinylene-terminated oligothiophenes of different lengths has been synthesized and characterized by steady-state stationary and transient time-resolved spectroscopies. Quantum chemical calculations allow us to interpret and recognize the properties of the stationary excited states as well as the time-dependent mechanisms of singlet-to-triplet coupling. The presence of the diazocine unit in Tröger's base derivatives is key to efficiently producing singlet-to-triplet intersystem crossing mediated by the role of the nitrogen atoms and of the almost orthogonal disposition of the two thiophene arms. Spin-orbit coupling-mediated interstate intersystem crossing (ISC) is activated by a symmetry-breaking process in the first singlet excited state with partial charge transfer character. This mechanism is a characteristic of these molecular triads since the independent dicyanovinylene-oligothiophene branches do not display appreciable ISC. These results show how Tröger's base coupling of organic chromophores can be used to improve the ISC efficiency and tune their photophysics. Intersystem crossing ; Chemistry ; Singlet fission ; Chromophore ; Singlet state ; Excited state ; Photochemistry ; Triplet state ; Diradical ; Chemical physics ; Symmetry breaking ; Molecular physics ; Molecule ; Computational chemistry ; Atomic physics ; Physics ; Quantum mechanics Molecular spectroscopy and chirality ; Spectroscopy and Quantum Chemical Studies ; Photochemistry and Electron Transfer Studies
Authors: Linhao Liu | Marie Cordier≈ | Thierry Roisnel | Henri Doucet
Source: Organic Chemistry Frontiers (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Double C–H bond functionalization for C–C coupling at the β-position of thiophenes using palladium-catalyzed 1,4-migration associated with direct arylation Palladium-catalyzed 1,4-migration associated with direct arylation is a new tool for C–H bond functionalization. Chemistry ; Surface modification ; Palladium ; Catalysis ; Coupling (piping) ; Combinatorial chemistry ; Double bond ; Polymer chemistry ; Organic chemistry ; Physical chemistry ; Metallurgy Catalytic C–H Functionalization Methods ; Sulfur-Based Synthesis Techniques ; Catalytic Cross-Coupling Reactions
Authors: Johanna Samulin Erdem | Táňa Závodná | Torunn Ervik | Øivind Skare | Tomáš Hron | Kristine Haugen Anmarkrud | Anna Kuśnierczyk | Julia Catalán | Dag G. Ellingsen | Jan Topinka | Shan Zienolddiny-Narui
Source: Frontiers in Immunology (article, 2023-01-27)
Field: Materials Science — Materials Chemistry

High aspect ratio nanomaterial-induced macrophage polarization is mediated by changes in miRNA levels Together, these data support the importance of macrophage phenotypic changes in the onset and resolution of inflammation and identify epigenetic patterns in macrophages which may be critical in nanomaterial-induced inflammation and fibrosis. Macrophage polarization ; Nanomaterials ; microRNA ; Macrophage ; Cell biology ; Chemistry ; Nanotechnology ; Biophysics ; Materials science ; Biology ; Biochemistry ; Gene ; In vitro Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Immune cells in cancer
Authors: Anand Kumar
Source: World Journal of Advanced Research and Reviews (article, 2023-02-06)
Field: Materials Science — Polymers and Plastics

Role of conducting polymers in corrosion protection Corrosion is an environmental evil related to metal and their alloys. Researchers trying their best to overcome it with traditional and new techniques. Recently Conducting polymers (CPs) such as polyaniline (PANI), polypyrrole (PPy) etc. are used for the corrosion protection of metals and metal alloys. Various mechanisms have been suggested to explain anticorrosion properties of CPs. These include anodic protection, controlled inhibitor release as well as barrier protection mechanisms. The presenting review is mainly focused on Different approaches that have been developed for the use of CPs in protective coatings. Corrosion ; Polyaniline ; Materials science ; Conductive polymer ; Polypyrrole ; Metal ; Polymer ; Anode ; Galvanic anode ; Nanotechnology ; Metallurgy ; Composite material ; Chemistry ; Cathodic protection ; Polymerization Conducting polymers and applications ; Analytical Chemistry and Sensors ; Smart Materials for Construction
Authors: Bhimanaboina Ramulu | Shaik Junied Arbaz | Manchi Nagaraju | Jae Su Yu
Source: Nanoscale (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multifunctional metal selenide-based materials synthesized <i>via</i> a one-pot solvothermal approach for electrochemical energy storage and conversion applications Highly-efficient electroactive materials with distinctive electrochemical features, along with suitable strategies to prepare hetero-nanoarchitectures incorporating two or more transition metal selenides, are currently required to increase charge storage ability. Herein, a one-pot solvothermal approach is used to develop iron-nickel selenide spring-lawn-like architectures (FeNiSe SLAs) on nickel (Ni) foam. The porous Ni foam scaffold not only enables the uniform growth of FeNiSe SLAs but also serves as an Ni source. The effect of reaction time on their morphological and electrochemical properties is investigated. The FeNiSe-15 h electrode shows high areal capacity (493.2 μA h cm<sup>-2</sup>) and superior cycling constancy. The as-assembled aqueous hybrid cell (AHC) demonstrates high areal capacity and a decent rate capability of 59.4% (50 mA cm<sup>-2</sup>). The AHC exhibits good energy and power densities, along with excellent cycling stability. Furthermore, to confirm its practicability, the AHC is employed to drive portable electronic appliances by charging it with wind energy. The electrocatalytic activity of FeNiSe-based materials to complete the oxygen evolution reaction (OER) is explored. Among them, the FeNiSe-15 h catalyst shows good OER performance at a current density of 50 mA cm<sup>-2</sup>. This general synthesis approach may initiate a strategy of advanced metal selenide-based materials for multifunctional applications. Materials science ; Electrochemical energy storage ; Electrochemistry ; Selenide ; Electrochemical energy conversion ; Nanotechnology ; Energy storage ; Metal ; Energy transformation ; Solvothermal synthesis ; Chemical engineering ; Metallurgy ; Selenium ; Supercapacitor ; Chemistry ; Electrode Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced Battery Materials and Technologies
Authors: Weijin Wang | Ryo Tachibana | Zhi Zou | Dongping Chen | Xiang Zhang | Kelvin Lau | Florence Pojer | Thomas R. Ward | Xile Hu
Source: Angewandte Chemie International Edition (article, 2023-09-06)
Field: Chemistry — Inorganic Chemistry

Manganese Transfer Hydrogenases Based on the Biotin‐Streptavidin Technology Artificial (transfer) hydrogenases have been developed for organic synthesis, but they rely on precious metals. Native hydrogenases use Earth-abundant metals, but these cannot be applied for organic synthesis due, in part, to their substrate specificity. Herein, we report the design and development of manganese transfer hydrogenases based on the biotin-streptavidin technology. By incorporating bio-mimetic Mn(I) complexes into the binding cavity of streptavidin, and through chemo-genetic optimization, we have obtained artificial enzymes that hydrogenate ketones with nearly quantitative yield and up to 98 % enantiomeric excess (ee). These enzymes exhibit broad substrate scope and high functional-group tolerance. According to QM/MM calculations and X-ray crystallography, the S112Y mutation, combined with the appropriate chemical structure of the Mn cofactor plays a critical role in the reactivity and enantioselectivity of the artificial metalloenzyme (ArMs). Our work highlights the potential of ArMs incorporating base-meal cofactors for enantioselective organic synthesis. Streptavidin ; Biotin ; Manganese ; Hydrogenase ; Chemistry ; Biochemistry ; Combinatorial chemistry ; Catalysis ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Cyclopropane Reaction Mechanisms ; Metalloenzymes and iron-sulfur proteins