jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Soheil Abdpour | Marcus N. A. Fetzer | Robert Oestreich | Thi Hai Yen Beglau | I. Boldog | Christoph Janiak
Source: Dalton Transactions (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Bimetallic CPM-37(Ni,Fe) metal–organic framework: enhanced porosity, stability and tunable composition A newly synthesized series of bimetallic CPM-37(Ni,Fe) metal-organic frameworks with different iron content (Ni/Fe ≈ 2, 1, 0.5, named CPM-37(Ni<sub>2</sub>Fe), CPM-37(NiFe) and CPM-37(NiFe<sub>2</sub>)) demonstrated high N<sub>2</sub>-based specific <i>S</i><sub>BET</sub> surface areas of 2039, 1955, and 2378 m<sup>2</sup> g<sup>-1</sup> for CPM-37(Ni<sub>2</sub>Fe), CPM-37(NiFe), and CPM-37(NiFe<sub>2</sub>), having much higher values compared to the monometallic CPM-37(Ni) and CPM-37(Fe) with 87 and 368 m<sup>2</sup> g<sup>-1</sup> only. It is rationalized that the mixed-metal nature of the materials increases the structural robustness due to the better charge balance at the coordination bonded cluster, which opens interesting application-oriented possibilities for mixed-metal CPM-37 and other less-stable MOFs. In this work, the CPM-37-derived α,β-Ni(OH)<sub>2</sub>, γ-NiO(OH), and, plausibly, γ-FeO(OH) phases obtained <i>via</i> decomposition in the alkaline medium demonstrated a potent electrocatalytic activity in the oxygen evolution reaction (OER). The ratio Ni : Fe ≈ 2 from CPM-37(Ni<sub>2</sub>Fe) showed the best OER activity with a small overpotential of 290 mV at 50 mA cm<sup>-2</sup>, low Tafel slope of 39 mV dec<sup>-1</sup>, and more stable OER performance compared to RuO<sub>2</sub> after 20 h chronopotentiometry at 50 mA cm<sup>-2</sup>. Bimetallic strip ; Tafel equation ; Porosity ; Metal-organic framework ; Decomposition ; Materials science ; Metal ; Composition (language) ; Chemical engineering ; Stability (learning theory) ; Chemistry ; Metallurgy ; Electrode ; Physical chemistry ; Composite material ; Organic chemistry ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion
Authors: Aitor Hernández | Tim Maiheu | Éric Drockenmuller | Damien Montarnal | Johan M. Winne | Filip Du Prez
Source: Chemistry of Materials (article, 2024-08-05)
Field: Materials Science — Polymers and Plastics

Design and Continuous (Re)Processing of Thermally Resilient Poly(Styrene<i>-co-</i>Maleic Maleate)-Based Covalent Adaptable Networks Cyclic anhydrides, classical monomers for bulk synthetic materials, have recently gained attention in covalent adaptable networks (CANs). They undergo reversible ring-opening with polyols, forming dynamic monoester linkages. This inherent property makes cyclic anhydrides ideal for industrially relevant polymer matrices with CAN-like recycling and reprocessing capabilities. Our study presents a rational design for poly(styrene-co-maleic maleate) monoester (PS-MME)-based polymer networks, achieved by cross-linking commercially available poly(styrene-co-maleic anhydride) (PS-co-MA) with a series of diols. The network synthesis is not only feasible on a large scale and under solvent-free conditions but also allows for the tailoring of the final cross-linking degree and properties by independently tuning the PS-co-MA maleic anhydride content, its chain length, and/or the loading of cross-linker diols used. Previous limitations in the thermal stability of MME-based CANs, stemming from remaining free carboxyl acids in monoester linkages, are circumvented through the dilution of reactive sites in an apolar matrix and switching to a cyclic anhydride ring embedded into the polymer backbone. This robust macromolecular architecture enhances the kinetics and thermodynamics of reversible monoester formation, resulting in PS-MMEs with exceptional thermal resilience. Even at temperatures exceeding 210 °C, PS-MMEs exhibit fast cross-link exchange without compromising their rheological, mechanical, or thermal properties. This feature not only enables continuous (re)processing via extrusion and injection molding but also allows the solvent-assisted recovery of the pure starting polyol monomers and PS-co-MA linear polymers, facilitating their chemical recycling and use in new polymer materials. In other words, this research paves the way for industrially applicable CANs by leveraging widely used bulk monomers and polymers. Maleic anhydride ; Materials science ; Polymer ; Monomer ; Polymer chemistry ; Thermal stability ; Chemical engineering ; Styrene ; Covalent bond ; Organic chemistry ; Chemistry ; Copolymer ; Composite material Polymer composites and self-healing ; Synthetic Organic Chemistry Methods ; biodegradable polymer synthesis and properties
Authors: Yijun Guo | Yong Chen | Yiqun Wu | Ying Zhu | Shiyao Luo | Juan Shen | Yi Luo
Source: Nanoscale Advances (article, 2024-01-01)
Field: Materials Science — Biomaterials

Injectable pH-responsive polypeptide hydrogels for local delivery of doxorubicin Cancer, as a global health threat, is often treated with chemotherapy, but its effect is limited, especially the drugs such as doxorubicin (DOX) are limited by their non-specificity and side effects. This study focuses on developing a new drug delivery system to overcome these challenges. Based on the self-assembling peptide hemopressin (HP), we designed and screened FOK peptide, which serves as a pH-responsive carrier with excellent pH sensitivity and mechanical stability. At a concentration of 20 mg mL<sup>-1</sup>, FOK can spontaneously form a stable hydrogel, efficiently encapsulating DOX with an encapsulation rate exceeding 95%. This system can gradually release the drug in the tumor-specific mildly acidic environment, achieving precise delivery and sustained release of the drug. Rheological analysis revealed the superior mechanical and self-healing properties of FOK hydrogel, suitable for injection delivery with long-lasting stability. Mouse experiments showed that DOX/FOK hydrogel significantly inhibited tumor growth while greatly reducing toxicity. In conclusion, FOK hydrogel, as a delivery vehicle for DOX, not only optimizes the precise delivery and sustained release mechanism of DOX, but also reduces treatment side effects, opening up new avenues for the application of peptide hydrogels in cancer therapy and providing a scientific basis for designing efficient drug delivery systems. Self-healing hydrogels ; Doxorubicin ; Chemistry ; Medicine ; Internal medicine ; Polymer chemistry ; Chemotherapy Nanoparticle-Based Drug Delivery ; Supramolecular Self-Assembly in Materials ; Graphene and Nanomaterials Applications
Authors: Xiaojun Ding | Jing Chen | Gang Ye
Source: Nature Communications (article, 2024-03-30)
Field: Chemistry — Inorganic Chemistry

Supramolecular polynuclear clusters sustained cubic hydrogen bonded frameworks with octahedral cages for reversible photochromism Developing supramolecular porous crystalline frameworks with tailor-made architectures from advanced secondary building units (SBUs) remains a pivotal challenge in reticular chemistry. Particularly for hydrogen-bonded organic frameworks (HOFs), construction of geometrical cavities through secondary units has been rarely achieved. Herein, a body-centered cubic HOF (TCA_NH<sub>4</sub>) with octahedral cages was constructed by a C<sub>3</sub>-symmetric building block and NH<sub>4</sub><sup>+</sup> node-assembled cluster (NH<sub>4</sub>)<sub>4</sub>(COOH)<sub>8</sub>(H<sub>2</sub>O)<sub>2</sub> that served as supramolecular secondary building units (SSBUs), akin to the polynuclear SBUs in reticular chemistry. Specifically, the octahedral cages could encapsulate four homogenous haloforms including CHCl<sub>3</sub>, CHBr<sub>3</sub>, and CHI<sub>3</sub> with truncated octahedron configuration. Crystallographic evidence revealed the cages served as spatially-confined nanoreactors, enabling fast, broadband photochromic effect associated with the reversible photo/thermal transformation between encapsulated CHI<sub>3</sub> and I<sub>2</sub>. Overall, this work provides a strategy by shaping SSBUs to expand the framework topology of HOFs and a prototype of hydrogen-bonded nanoreactors to accommodate reversible photochromic reactions. SBus ; Octahedron ; Supramolecular chemistry ; Crystallography ; Materials science ; Photochromism ; Nanoreactor ; Chemistry ; Nanotechnology ; Metal-organic framework ; Crystal structure ; Physical chemistry ; Nanoparticle Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Supramolecular Self-Assembly in Materials
Authors: Anjali Sugunan | Anusree V. Rethnakumaran | Mini Mol Menamparambath
Source: Sensors & Diagnostics (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

A review on Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> based nanocomposites for the electrochemical sensing of clinically relevant biomarkers Classification of various Ti 3 C 2 T x MXene-based nanocomposites, highlighting the structural–property correlation and impact of MXene on electrochemical performance of nanocomposites. Nanocomposite ; Materials science ; Electrochemistry ; Nanotechnology ; Analytical Chemistry (journal) ; Chemistry ; Electrode ; Environmental chemistry ; Physical chemistry MXene and MAX Phase Materials ; 2D Materials and Applications ; Ferroelectric and Negative Capacitance Devices
Authors: Arkaye Kierulf | Imann Mosleh | Jieying Li | Peilong Li | Amin Zarei | Leila Khazdooz | James Smoot | Alireza Abbaspourrad
Source: Science Advances (article, 2024-02-16)
Field: Materials Science — Materials Chemistry

Food LEGO: Building hollow cage and sheet superstructures from starch The idea of building large structures from small building blocks has had a long history in the human imagination, from the beautifully intricate shells assembled from silica by unicellular algae to the Egyptian pyramids built from stone. Carrying this idea into the food industry has important implications. Here, we introduce a Pickering emulsion platform for building superstructures like hollow cages and sheets using starch granules as building blocks. In food, these superstructures occupy up to six times more space than their constituent parts, thereby delivering a viscosity greater by an order of magnitude than unstructured starch. To achieve this higher viscosity, they use an alternative superstructure mechanism as opposed to the classic swelling mechanism of individual particles. These super-thickeners may reduce calories, cut production costs, and stretch the global food supply, demonstrating how we can design the future by playing with our food. Superstructure ; Starch ; Nanotechnology ; Viscosity ; Mechanism (biology) ; Materials science ; Composite material ; Architectural engineering ; Polymer science ; Engineering ; Chemistry ; Structural engineering ; Food science ; Physics Pickering emulsions and particle stabilization ; Proteins in Food Systems ; Advanced Materials and Mechanics
Authors: Guillem Gabarró‐Riera | E. Carolina Sañudo
Source: Communications Chemistry (article, 2024-05-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Challenges for exploiting nanomagnet properties on surfaces Molecular complexes with single-molecule magnet (SMM) or qubit properties, commonly called molecular nanomagnets, are great candidates for information storage or quantum information processing technologies. However, the implementation of molecular nanomagnets in devices for the above-mentioned applications requires controlled surface deposition and addressing the nanomagnets' properties on the surface. This Perspectives paper gives a brief overview of molecular properties on a surface relevant for magnetic molecules and how they are affected when the molecules interact with a surface; then, we focus on systems of increasing complexity, where the relevant SMMs and qubit properties have been observed for the molecules deposited on surfaces; finally, future perspectives, including possible ways of overcoming the problems encountered so far are discussed. Nanomagnet ; Nanotechnology ; Computer science ; Materials science ; Physics Magnetism in coordination complexes ; Magnetic properties of thin films ; Advanced NMR Techniques and Applications
Authors: Ernesto Castellanos | Florian Benner | Selvan Demir
Source: Inorganic Chemistry (article, 2024-05-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Linear, Electron-Rich Erbium Single-Molecule Magnet with Dibenzocyclooctatetraene Ligands Judicious design of ligand scaffolds to highly anisotropic lanthanide ions led to substantial advances in molecular spintronics and single-molecule magnetism. Erbium-based single-molecule magnets (SMMs) are rare, which is attributed to the prolate-shaped Er<sup>III</sup> ion requiring an equatorial ligand field for enhancing its single-ion magnetic anisotropy. Here, we present an electron-rich mononuclear Er SMM, [K(crypt-222)][Er(dbCOT)<sub>2</sub>], <b>1</b> (where dbCOT = dibenzocyclooctatetraene), that was obtained from a salt metathesis reaction of ErCl<sub>3</sub> and K<sub>2</sub>dbCOT. The dipotassium salt, K<sub>2</sub>dbCOT, was generated through a two-electron reduction of the bare dbCOT<sup>0</sup> ligand employing potassium graphite and was crystallized from DME to give the new solvated complex, [K(DME)]<sub>2</sub>[dbCOT]<i><sub>n</sub></i>, <b>2</b>. <b>1</b> was analyzed through crystallography, electrochemistry, spectroscopy, magnetometry, and CASSCF calculations. The structure of <b>1</b> consists of an anionic metallocene complex featuring a linear (180.0°) geometry with an Er<sup>III</sup> ion sandwiched between dianionic dbCOT ligands and an outer-sphere K<sup>+</sup> ion encapsulated in 2.2.2-cryptand. Two pronounced redox events at negative potentials allude to the formation of a trianionic erbocene complex, [Er(dbCOT)<sub>2</sub>]<sup>3-</sup>, on the electrochemical time scale. <b>1</b> shows slow magnetic relaxation with an effective spin-reversal barrier of <i>U</i><sub>eff</sub> = 114(2) cm<sup>-1</sup>, which is close in magnitude to the calculated energies of the first and second excited states of 96.9 and 109.13 cm<sup>-1</sup>, respectively. <b>1</b> exhibits waist-constricted hysteresis loops below 4 K and constitutes the first example of an erbocene-SMM bearing fused aromatic rings to the central COT ligand. Notably, <b>1</b> comprises the largest COT scaffold implemented in erbocene SMMs, yielding the most electron-rich homoleptic erbium metallocene SMM. Chemistry ; Homoleptic ; Crystallography ; Lanthanide ; Ligand (biochemistry) ; Molecule ; Ion ; Metal Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Porphyrin and Phthalocyanine Chemistry
Authors: Hassan O. Shoyiga | Stephen Okiemute Akpasi | Joseph Akpan | Ubani Oluwaseun Amune | Sammy Lewis Kiambi
Source: Clean Energy (article, 2024-03-21)
Field: Materials Science — Materials Chemistry

Novel photoactive material and fabrication techniques for solar cells application: nanocellulose-based graphene oxide CdS composite Abstract In recent times, solar energy has become one of the largest available sources of renewable energy at our disposal. However, the design of highly efficient solar cells is increasingly becoming crucial as there has been a surge for economically viable alternative energy sources with the lowest cost. Significant advances have been made through different routes to make photovoltaic (PV)/solar technologies economically viable, eco-friendly and consequently scalable. As a result, cellulose nanomaterials have become one of the emerging technologies in this regard because of the advantages of high-value bio-based nanostructured materials, such as their abundance and sustainability. Nanocellulose-based photoactive nanocomposite materials can be made by integrating conducting photoactive and electroconductive materials with hydrophilic biocompatible cellulose. Inorganic nanoparticles, such as graphene/reduced graphene oxide cadmium sulphide quantum dots, amongst others, can be introduced into the nanocellulose matrix and can be applied either as charge transporters or photoactive materials in different types of solar cells. Thus, in this review, we highlight the optoelectronic properties of different photoactive materials, particularly nanocellulose-based graphene nanocomposites; their efficiencies and drawbacks were X-rayed. The effect of doping each PV material on the PV performance is also discussed. It is anticipated that the novel material would result in a reduction in the cost of solar cells, jointly enhancing their efficacy in generating environmentally friendly electricity. Since the fabrication techniques and equipment play a crucial role in the development of solar cells, the fabrication techniques of bulk-heterojunction (BHJ) cells containing a nanocellulose-based graphene composite and case studies of already fabricated BHJ PV cells with nanocellulose-based graphene composite are discussed. Nanocellulose ; Graphene ; Fabrication ; Materials science ; Photoactive layer ; Composite number ; Oxide ; Nanotechnology ; Hybrid solar cell ; Polymer solar cell ; Composite material ; Chemical engineering ; Optoelectronics ; Solar cell ; Cellulose Quantum Dots Synthesis And Properties ; TiO2 Photocatalysis and Solar Cells ; Chalcogenide Semiconductor Thin Films
Authors: Sagarika Panda | Savita Mehlawat | Neeraj Dhariwal | Preety Yadav | Vinod Kumar | O. P. Thakur | Neha V. Brahmankar | Santosh J. Uke | Kuldeep Kumar | Amit Sanger
Source: Scientific Reports (article, 2024-11-09)
Field: Materials Science — Materials Chemistry

Investigation of Bi2MoO6/MXene nanostructured composites for photodegradation and advanced energy storage applications This study presents nanostructured composite Bi<sub>2</sub>MoO<sub>6</sub>/MXene heterostructure by using hydrothermal method for photodegradation of the congo-red dye and also for energy storage devices. X-ray diffractometer (XRD), High Resolution Transmission Electron Microscopy (HRTEM), Field emission scanning electron microscope (FESEM) and X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) were performed to examine the structural properties along with surface area and porosity of the material. Due to addition of MXene the larger surface area and improved pore size help to quickly break down additional organic pollutants by adsorbing them. The band gap of Bi<sub>2</sub>MoO<sub>6</sub>/MXene nanostructured composite reduced to 2.4 eV suggesting transfer of electrons from VB to CB. Bi<sub>2</sub>MoO<sub>6</sub>/MXene exhibits a high (92.3%) photocatalytic degradation rate for a duration of 16 min which was verified using UV-visible spectroscopy, also scavenger test was conducted to ascertain the reactive agent along with the degradation pathway was confirmed by LCMS. Elemental content was also established by using inductively coupled plasma mass spectrometry (ICP-MS). For estimating energy storage capacity cyclic voltammetry (CV) was performed. It was observed Bi<sub>2</sub>MoO<sub>6</sub>/MXene nanostructured composite electrodes had specific capacitance of 642.91Fg<sup>- 1</sup>, power density of 1.24 kWkg<sup>- 1</sup>, and energy density of 22.32 Whkg<sup>- 1</sup> at a current density of 5Ag<sup>- 1</sup> also it exhibited 64.42% capacity retention having current density 20 Ag<sup>- 1</sup> throughout 10,000 Galvanostatic charge discharge (GCD) cycles. High electrical conductivity of Bi<sub>2</sub>MoO<sub>6</sub>/MXene electrode was again examined by Electrochemical impedance spectroscopy (EIS). These findings demonstrate the potential of Bi<sub>2</sub>MoO<sub>6</sub>/MXene nanostructured composites in both photodegradation and energy storage applications. Photodegradation ; Energy storage ; Materials science ; Composite material ; Photocatalysis ; Chemistry ; Physics ; Catalysis MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; Advanced Memory and Neural Computing
Authors: Jingxian Jiang | Weiran Zhang | Xijian Yi | Lei Qin | Yuru Liao | Yimin Tan | Wenxi Yu
Source: e-Polymers (article, 2024-01-01)
Field: Materials Science — Biomaterials

Recent progress in properties and application of antibacterial food packaging materials based on polyvinyl alcohol Abstract Polyvinyl alcohol (PVA) is well-known for its excellent mechanical properties and eco-friendliness in food packaging. Recently, PVA has gained significant attention in research due to its potential as antibacterial substrates. However, because of its high hydrophilicity, practical application of pure PVA film has been limited by low water resistance and rapid bacterial growth in humid conditions. Diverse effective strategies have been developed to decrease hydrophilicity and endow films with antibacterial properties. This review provides an overview of universal antibacterial agents and their functions in PVA-based packaging films. It also introduces the changes in the mechanical and physical properties of PVA-based films after adding antibacterial agents. Additionally, the release behavior of antibacterial agents in PVA-based film materials and their practical applications in the food industry is discussed in fresh food packaging. Biodegradability of PVA-based films is also mentioned, with a promising future for more effective and eco-friendly food packaging materials. Polyvinyl alcohol ; Food packaging ; Materials science ; Active packaging ; Water resistance ; Environmentally friendly ; Biodegradation ; Antibacterial activity ; Nanotechnology ; Composite material ; Chemistry ; Food science ; Organic chemistry ; Bacteria Nanocomposite Films for Food Packaging ; biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution
Authors: Faidra Amargianou | Peer Bärmann | Hui Shao | Pierre‐Louis Taberna | Patrice Simon | Jesús González‐Julián | Markus Weigand | Tristan Petit
Source: Small Methods (article, 2024-06-14)
Field: Materials Science — Materials Chemistry

Nanoscale Surface and Bulk Electronic Properties of Ti <sub>3</sub> C <sub>2</sub> T <sub>x</sub> MXene Unraveled by Multimodal X‐Ray Spectromicroscopy 2D layered materials, such as transition metal carbides or nitrides, known as MXenes, offer an ideal platform to investigate charge transfer processes in confined environment, relevant for energy conversion and storage applications. Their rich surface chemistry plays an essential role in the pseudocapacitive behavior of MXenes. However, the local distribution of surface functional groups over single flakes and within few- or multilayered flakes remains unclear. In this work, scanning X-ray microscopy (SXM) is introduced with simultaneous transmission and electron yield detection, enabling multimodal nanoscale chemical imaging with bulk and surface sensitivity, respectively, of individual MXene flakes. The Ti chemical bonding environment is found to significantly vary between few-layered hydrofluoric acid-etched Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXenes and multilayered molten salt (MS)-etched Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> MXenes. Postmortem analysis of MS-etched Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> electrodes cycled in a Li-ion battery further illustrates that simultaneous bulk and surface chemical imaging using SXM offers a method well adapted to the characterization of the electrode-electrolyte interactions at the nanoscale. Nanoscopic scale ; Materials science ; X-ray ; X-ray crystallography ; Nanotechnology ; Crystallography ; Physics ; Diffraction ; Optics ; Chemistry MXene and MAX Phase Materials ; 2D Materials and Applications ; Ferroelectric and Negative Capacitance Devices