jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Esam Bashir Yahya | Suhail Salem Elarbash | Rahul Dev Bairwan | Montaha Mohamed Ibrahim Mohamed | Niaz Bahadur Khan | Putri Widyanti Harlina | H. P. S. Abdul Khalil
Source: Forests (article, 2023-07-16)
Field: Materials Science — Biomaterials

The Role of Microorganisms in the Isolation of Nanocellulose from Plant Biomass The isolation and bottom-up assembly of nano-cellulose by using microorganisms offers unique advantages that fine-tune and meet the main key design criteria of sustainability, rapid renewability, low toxicity and scalability for several industrial applications. As a biomaterial, several properties are required to maintain the quality and functional period of any product. Thus, researchers nowadays are extensively using microorganisms to enhance the yield and properties of plant nanocellulose. A microbial process requires approximately 20%–50% less energy compared to the chemical isolation process that consumes high energy due to the need for intense mechanical processing and harsh chemical treatments. A microbial process can also reduce production costs by around 30%–50% due to the use of renewable feedstocks, fewer chemical additives, and simplified purification steps. A chemical isolation process is typically more expensive due to the extensive use of chemicals, complex processing steps, and higher energy requirements. A microbial process also offers higher yields of nanocellulose with well-defined and uniform dimensions, leading to improved mechanical properties and enhanced performance in various applications, compared with the chemical isolation process, which may result in a wider range of nanocellulose sizes, potentially leading to variations in properties and performance. The present review discusses the role of different microorganisms (bacteria, yeasts and fungi) in the isolation and production of nanocellulose. The types and properties of nanocellulose from different sources are also discussed to show the main differences among them, showing the use of microorganisms and their products to enhance the yield and properties of nanocellulose isolation. Finally, the challenges and propositions regarding the isolation, production and enhancement the quality of nanocellulose are addressed. Nanocellulose ; Isolation (microbiology) ; Biomass (ecology) ; Microorganism ; Bacterial cellulose ; Biochemical engineering ; Cellulose ; Process engineering ; Pulp and paper industry ; Nanotechnology ; Environmental science ; Materials science ; Biology ; Chemical engineering ; Engineering ; Bacteria ; Ecology ; Microbiology Advanced Cellulose Research Studies ; Biofuel production and bioconversion ; Polysaccharides and Plant Cell Walls
Authors: Lukas Conrads | Andreas Heßler | Konstantin G. Wirth | Sebastian Meyer | Matthias Wuttig | Dmitry N. Chigrin | Thomas Taubner
Source: Advanced Optical Materials (article, 2023-05-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Infrared Resonance Tailoring of Individual Split‐Ring Resonators with Phase‐Change Materials by Locally Changing the Dielectric Surrounding of the Antenna Hotspots Abstract For miniaturized active metasurfaces, resonance tuning of nanoantennas is a key ingredient. Phase‐change materials (PCMs) have been established as prime candidates for non‐volatile resonance tuning enabled by a change in the refractive index around nanoantennas. Conventionally, this tuning is induced by annealing the entire sample equally and does not allow changes on a meta‐atom level. Recently, it is demonstrated that individual rodantenna resonances can be adjusted by addressing each meta‐atom locally with precise laser pulses and switching the PCM there. However, simultaneously controlling several different modes remains elusive. In this work, PCM‐covered aluminum split‐ring resonators (SRRs) are switched locally to tune both the electric dipole resonances as well as the magnetic dipole resonances. By selectively switching the PCM at different hotspots of the SRRs, both resonances can be tuned individually. Finally, the field enhancement in the magnetic resonance allows continuous tuning of surface‐enhanced infrared absorption of native SiO 2 . This work serves as a proof of principle for sophisticated resonance tuning via changes in the refractive index at the hotspots of the selected antennas enabling fine‐tuning functionalities on a meta‐atom level and allows for post‐fabrication adjustments of metasurfaces. Materials science ; Resonator ; Refractive index ; Resonance (particle physics) ; Dielectric ; Optoelectronics ; Split-ring resonator ; Dipole ; Atom (system on chip) ; Optics ; Atomic physics ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Plasmonic and Surface Plasmon Research
Authors: Ilya V. Chepkasov | Viktor S. Baidyshev | Alexander G. Kvashnin
Source: Physical review. B./Physical review. B (article, 2023-11-13)
Field: Materials Science — Materials Chemistry

Structure-driven tuning of O and CO adsorption on AuCu nanoparticles: A density functional theory study Nanoparticles are fascinating nanoobjects that are actively studied and widely employed in various fields, such as heterogeneous catalysis and advanced electrode materials. Their local atomic structure and composition can significantly impact their properties. We employed the state-of-the-art first-principles calculations to investigate the effects of AuCu nanoparticle structure and composition on the electronic properties, charge distribution, and CO and O adsorption energies. Two types of nanoparticles were examined in this study; specifically core-shell nanoparticles (Cu@Au, Au@Cu) and bimetallic alloy particles (Au-Cu), all with an average diameter of 2 nm (321 atoms) and exhibiting fcc, icosahedral, and amorphous structures. The research comprehensively investigated the electronic and adsorption properties of the proposed nanoparticles with regard to their ability to adsorb CO and O, revealing the potential for finely tuning of their properties by modifying their atomic structure and composition. Adjusting the core-to-shell ratio allows one to precisely tune the O and CO adsorption energies on the nanoparticle surface, particularly in fcc nanoparticles. This results in a narrower range of adsorption energies, specifically for CO adsorption, which cannot be achieved in bimetallic alloys. Our study shows the significance of this approach for fine-tuning adsorption energies on a nanoparticle surface. Bimetallic strip ; Nanoparticle ; Adsorption ; Materials science ; Amorphous solid ; Icosahedral symmetry ; Density functional theory ; Alloy ; Electronic structure ; Chemical physics ; Chemical engineering ; Nanotechnology ; Physical chemistry ; Computational chemistry ; Crystallography ; Chemistry ; Metal ; Metallurgy Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; nanoparticles nucleation surface interactions
Authors: Yu Dai | Guansong He | Long Sheng | Xin Li | Meng Li | Peng Wang | Xiaodong Li | Zhijian Yang
Source: ACS Applied Nano Materials (article, 2023-03-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Precise Tailoring of Mesoporous Silica-Coated Gold Nanorods for Laser Ignition at 1064 nm The plasmon-induced photothermal effect is often regarded as one of the most intriguing features of Au nanorods (AuNRs). The spectral matching of absorption and excitation determines the optical absorption quantity and the photothermal conversion efficiency, which is essential for practical applications. Although the dimensional tunability of monodisperse AuNRs has already been accessible, the fine-tuning of AuNRs with longitudinal surface plasmon resonance (LSPR) at a desired wavelength to match the excitation is still challenging because of inferior reproducibility and synthetic complexity. In this work, using hydroquinone as both a cosurfactant and a reductant, we propose a synthetic strategy toward AuNRs with excellent linear tunability of LSPR peaks from 530 to 1200 nm via simply altering the dosage of silver nitrate. Given that the laser wavelength for ignition is 1064 nm, the LSPR wavelength of AuNRs could be exactly controlled at 1064 nm for maximum photothermal performance. Afterward, the as-prepared AuNRs were coated with a dendritic mesoporous silica shell for plasmonic stability and loading explosive molecules. As a proof of concept, the laser ignitability could be achieved only in the presence of AuNRs with LSPR wavelength approaching 1064 nm, highlighting the importance of spectral matching in photothermal conversion-assisted laser ignition. Nanorod ; Materials science ; Photothermal therapy ; Surface plasmon resonance ; Laser ; Plasmon ; Absorption (acoustics) ; Nanotechnology ; Mesoporous silica ; Photothermal effect ; Mesoporous material ; Optoelectronics ; Nanoparticle ; Optics ; Chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Laser-Ablation Synthesis of Nanoparticles ; Nanocluster Synthesis and Applications
Authors: Siddhartha De | Georges Mouchaham | Fangbing Liu | Maame Affram | Brian Abeykoon | Nathalie Guillou | Erwann Jeanneau | Jean−Marc Grenèche | Lhoussain Khrouz | Charlotte Martineau | Lotfi Boudjema | Fabrice Salles | Pablo Salcedo‐Abraira | Gonçalo Valente | Manuel Souto | Alexandra Fateeva | Thomas Devic
Source: Journal of Materials Chemistry A (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Expanding the horizons of porphyrin metal–organic frameworks <i>via</i> catecholate coordination: exploring structural diversity, material stability and redox properties Porphyrin based Metal-Organic Frameworks (MOFs) have generated high interest because of their unique combination of light absorption, electron transfer and guest adsorption/desorption properties. In this study, we expand the range of available MOF materials by focusing on the seldom studied porphyrin ligand H<sub>10</sub>TcatPP, functionalized with tetracatecholate coordinating groups. A systematic evaluation of its reactivity with M(iii) cations (Al, Fe, and In) led to the synthesis and isolation of three novel MOF phases. Through a comprehensive characterization approach involving single crystal and powder synchrotron X-ray diffraction (XRD) in combination with the local information gained from spectroscopic techniques, we elucidated the structural features of the solids, which are all based on different inorganic secondary building units (SBUs). All the synthesized MOFs demonstrate an accessible porosity, with one of them presenting mesopores and the highest reported surface area to date for a porphyrin catecholate MOF (>2000 m<sup>2</sup> g<sup>-1</sup>). Eventually, the redox activity of these solids was investigated in a half-cell <i>vs.</i> Li with the aim of evaluating their potential as electrode positive materials for electrochemical energy storage. One of the solids displayed reversibility during cycling at a rather high potential (∼3.4 V <i>vs.</i> Li<sup>+</sup>/Li), confirming the interest of redox active phenolate ligands for applications involving electron transfer. Our findings expand the library of porphyrin-based MOFs and highlight the potential of phenolate ligands for advancing the field of MOFs for energy storage materials. Porphyrin ; Metal-organic framework ; Redox ; SBus ; Mesoporous material ; Electrochemistry ; Ligand (biochemistry) ; Adsorption ; Electron transfer ; Reactivity (psychology) ; Chemistry ; Materials science ; Combinatorial chemistry ; Inorganic chemistry ; Photochemistry ; Electrode ; Physical chemistry ; Organic chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Machine Learning in Materials Science
Authors: Jing‐Yi Song | Xu Chen | Yumei Wang | Xiao Luo | T.-K. Zhang | Guo‐Hong Ning | Dan Li
Source: Chemistry - An Asian Journal (article, 2023-11-05)
Field: Chemistry — Inorganic Chemistry

Tuning the Catalytic Activity of Covalent Metal‐Organic Frameworks for CO<sub>2</sub> Cycloaddition Reactions The development of efficient, recyclable and low-cost heterogeneous catalysts for conversion of carbon dioxide (CO<sub>2</sub> ) into epoxides is highly desired, yet remain a challenge. Herein, we have prepared three two-dimensional (2D) copper(I) cyclic trinuclear units (Cu(I)-CTUs) based covalent metal-organic frameworks (CMOFs), namely JNM-13, JNM-14, and JNM-15, via a one-pot reaction by combination of coordination and dynamic covalent chemistry. Among them, JNM-15 contained the highest density of copper catalytic sites, and exhibited the highest capacity for adsorption of CO<sub>2</sub> . More interestingly, JNM-15 delivered the highest catalytic activity for cycloaddition of CO<sub>2</sub> to epoxides with good yields (up to 99 %), good substrate compatibility (11 examples) and reusability (four catalytic cycles) under mild condition. Cycloaddition ; Catalysis ; Covalent bond ; Copper ; Chemistry ; Adsorption ; Reusability ; Metal ; Substrate (aquarium) ; Metal-organic framework ; Combinatorial chemistry ; Organic chemistry ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; Covalent Organic Framework Applications
Authors: Shangdong Xie | Sitian Qian | Kaiyang Zhu | Lijiang Sun | Wenxing Chen | Shichang Chen
Source: ACS Omega (article, 2023-05-22)
Field: Materials Science — Biomaterials

Comparison of Eco-friendly Ti–M Bimetallic Coordination Catalysts and Commercial Monometallic Sb- or Ti-Based Catalysts for the Synthesis of Poly(ethylene-<i>co</i>-isosorbide terephthalate) Sustainable development greatly benefits from the effective synthesis of bio-based copolymers that are environmentally friendly. To enhance the polymerization reactivity for the production of poly(ethylene-<i>co</i>-isosorbide terephthalate) (PEIT), five highly active Ti-M (M = Mg, Zn, Al, Fe, and Cu) bimetallic coordination catalysts were designed. The catalytic activity of Ti-M bimetallic coordination catalysts and single Sb- or Ti-based catalysts was compared, and the effects of catalysts with a different type of coordination metal (Mg, Zn, Al, Fe, and Cu) on the thermodynamic and crystallization properties of copolyesters were explored. In polymerization, it was found that Ti-M bimetallic catalysts with 5 ppm (Ti) had higher catalytic activity than traditional antimony-based catalysts or Ti-based catalysts with 200 ppm (Sb) or 5 ppm (Ti). The Ti-Al coordination catalyst showed the best-improved reaction rate of isosorbide among the five transition metals used. Utilizing Ti-M bimetallic catalysts, a high-quality PEIT was successfully synthesized with the highest number-average molecular weight of 2.82 × 10<sup>4</sup> g/mol and the narrowest molecular weight distribution index of 1.43. The glass-transition temperature of PEIT reached 88.3 °C, allowing the copolyesters to be used in applications requiring a higher <i>T</i><sub>g</sub>, like hot filling. The crystallization kinetics of copolyesters prepared by some Ti-M catalysts was faster than that of copolyesters prepared by conventional titanium catalysts. Bimetallic strip ; Catalysis ; Materials science ; Ethylene ; Polymerization ; Isosorbide ; Crystallization ; Polymer chemistry ; Chemistry ; Organic chemistry ; Polymer biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Catalysis for Biomass Conversion
Authors: Ozana Mišura | Mateja Pisačić | Mladen Borovina | Marijana Đaković
Source: Crystal Growth & Design (article, 2023-02-13)
Field: Chemistry — Physical and Theoretical Chemistry

Tailoring Enhanced Elasticity of Crystalline Coordination Polymers The approach for enhancing the elasticity of crystals with suboptimal elastic performances through a rational design was presented. A hydrogen-bonding link was identified as a critical feature in the structure of the parent material, the Cd(II) coordination polymer [CdI<sub>2</sub>(I-pz)<sub>2</sub>] <sub><i>n</i></sub> (I-pz = iodopyrazine), to determine the mechanical output and was modified via cocrystallization. Small organic coformers resembling the initial organic ligand but with readily available hydrogens were selected to improve the identified link, and the extent of strengthening the critical link was in an excellent correlation with the delivered enhancement of elastic flexibility materials. Elasticity (physics) ; Polymer ; Materials science ; Rational design ; Hydrogen bond ; Flexibility (engineering) ; Crystallography ; Chemical engineering ; Nanotechnology ; Composite material ; Chemistry ; Molecule ; Organic chemistry ; Mathematics Crystallography and molecular interactions ; Metal-Organic Frameworks: Synthesis and Applications ; Organometallic Compounds Synthesis and Characterization
Authors: You‐Jie Yu | Joel Häfliger | Zixuan Wang | Constantin G. Daniliuc | Ryan Gilmour
Source: Angewandte Chemie International Edition (article, 2023-08-02)
Field: Chemistry — Organic Chemistry

Forging Medium Rings via I(I)/I(III)‐Catalyzed Diene Carbofunctionalization A main-group catalysis-based strategy to access 8-membered carbocycles via the direct carbofunctionalization of 2-phenethyl-substituted 1,3-dienes is disclosed. Through the intervention of an I(I)/I(III) catalysis cycle, the synthesis of densely functionalized, fluorinated benzocyclooctenes can be achieved in an operationally simple manner. Modulating the oxidation/activation regime, and the external nucleophile, the process has been extended to unify the challenging cyclization with formation of allylic C-O, C-N, and C-C bonds (>30 examples). Derivatization of the product benzocyclooctenes is demonstrated together with X-ray conformational analysis, preliminary validation of enantioselective catalysis and a scalable resolution protocol. Nucleophile ; Enantioselective synthesis ; Catalysis ; Chemistry ; Diene ; Allylic rearrangement ; Combinatorial chemistry ; Derivatization ; Catalytic cycle ; Reactivity (psychology) ; Stereochemistry ; Organic chemistry Catalytic C–H Functionalization Methods ; Oxidative Organic Chemistry Reactions ; Asymmetric Synthesis and Catalysis
Authors: Satyapriya Nath | Adithyan Puthukkudi | Jeebanjyoti Mohapatra | Suresh Bommakanti | Naisa Chandrasekhar | Bishnu P. Biswal
Source: Macromolecular Rapid Communications (review, 2023-01-10)
Field: Chemistry — Inorganic Chemistry

Carbon–Carbon Linked Organic Frameworks: An Explicit Summary and Analysis Organic frameworks with carbon-carbon (CC) linkage are an important class of materials owing to their outstanding chemical stability and extended π-electron delocalization resulting in unique optoelectronic properties. In the first part of this review article, the design principles for the bottom-up synthesis of 2D and 3D sp/sp<sup>2</sup> CC linked organic frameworks are summarized. Representative reaction methodologies, such as Knoevenagel condensation, Aldol condensation, Horner-Wadsworth-Emmons reaction, Wittig reaction, and coupling reactions (Ullmann, Suzuki, Heck, Yamamoto, etc.) are included. This is discussed in the context of their reaction mechanism, reaction dynamics, and whether and why resulting in an amorphous or crystalline product. This is followed by a discussion of different state-of-the art bottom-up synthesis methodologies, like solvothermal, interfacial, and solid-state synthesis. In the second part, the structure-property relationships in CC linked organic frameworks with representative examples of organocatalysis, photo(electro)catalysis, energy storage and conversion, magnetism, and molecular storage and separation are analyzed. The importance of linkage type, building blocks, topology, and crystallinity of the framework material in connection with the structure-property relationship is highlighted. Finally, brief concluding remarks are presented based on the key development of bottom-up synthetic methods and provide perspectives for future development in this field. Knoevenagel condensation ; Materials science ; Context (archaeology) ; Organic synthesis ; Nanotechnology ; Chemistry ; Catalysis ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Luminescence and Fluorescent Materials
Authors: Joseph Kinyanjui Muiruri | Jayven Chee Chuan Yeo | Tang Yuanting Karen | Ke Li | Enyi Ye | Xian Jun Loh | Zibiao Li
Source: Green Chemistry (article, 2023-01-01)
Field: Materials Science — Biomaterials

Rapid dissolution of high concentration poly(3-hydroxybutyrate) using neoteric biosolvents: experiment and molecular dynamics simulation Taking cues from the concept of metabolomics in plants in hot environments, we used a plant metabolite (carvacrol) as a biosolvent to dissolve high molecular weight PHB biopolymer assisted by computational modelling to unearth the dissolution mechansim. Dissolution ; Molecular dynamics ; Metabolomics ; Biopolymer ; Metabolite ; Chemistry ; Biological system ; Chemical engineering ; Chromatography ; Computational chemistry ; Organic chemistry ; Polymer ; Biochemistry ; Biology biodegradable polymer synthesis and properties ; Lignin and Wood Chemistry ; Nanocomposite Films for Food Packaging
Authors: Zhongna Zhang | Si-Han Yin | Xue Li | Yu-Yao Wang | Kun Zhang | Jingan Li
Source: Metals (article, 2023-08-23)
Field: Chemistry — Inorganic Chemistry

Research and Application of Metal–Organic Framework in Surface Modification of Biomaterials—A Review Surface modification is one of the core technologies in the field of biomedical materials. The fundamental purpose is to enable the surface of biomass materials to have better biocompatibility to better meet clinical needs. A metal–organic framework (MOF) is composed of organic links and metal nodes. It is a type of new crystal porous material with important application potential. In recent years, it has been explored in the field of biomass materials. This review introduces the structure and synthesis of MOF and systematically combs, summarizes and evaluates the research and application of MOF in cardiovascular therapy, tumor therapy, bone tissue engineering and other scenarios, in order to provide reference and inspiration for subsequent researchers. Nanotechnology ; Biocompatibility ; Surface modification ; Metal-organic framework ; Materials science ; Biochemical engineering ; Engineering ; Mechanical engineering ; Chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Nanoparticle-Based Drug Delivery