jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ahmad Adlie Shamsuri | Khalina Abdan | M.Y.M. Zuhri | Siti Nurul Ain Md. Jamil
Source: e-Polymers (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Impact of ionic liquids on the thermal properties of polymer composites Abstract The integration of ionic liquids and polymer composites has become a promising way to improve their thermal properties, representing a notable advancement in the development of advanced materials for specific applications. Their thermal properties heavily influence the suitability of polymer composites for particular applications. It is imperative to understand and manipulate the thermal behavior of these composites to optimize their performance across various fields. In this mini-review, diverse polymer matrices and fillers utilized in polymer composites containing ionic liquids are categorized. Additionally, various ionic liquids employed in studies related to the thermal properties of polymer composites are identified. The impact of ionic liquids on the thermal properties of these composites is also briefly reviewed. The knowledge illustrated in this review enriches the understanding of the types of polymer matrices and fillers used in conjunction with ionic liquids, as well as their thermal properties. In a nutshell, imidazolium-based ionic liquids with tetrafluoroborate, bis(trifluoromethylsulfonyl)imide, hexafluorophosphate, halides, and hydrogen sulfate anions have the impact of improving the glass transition temperature, melting temperature, degradation temperature, and thermal conductivity of thermoplastic, thermosetting, and elastomer composites. Composite material ; Materials science ; Ionic liquid ; Thermal ; Polymer ; Ionic bonding ; Chemistry ; Ion ; Organic chemistry ; Thermodynamics Polymer Nanocomposites and Properties ; Polymer crystallization and properties ; Carbon Nanotubes in Composites
Authors: Régis Laurent | Valérie Maraval | Vania Bernardes‐Génisson | Anne‐Marie Caminade
Source: Molecules (article, 2024-04-16)
Field: Materials Science — Polymers and Plastics

Dendritic Pyridine–Imine Copper Complexes as Metallo-Drugs Since the discovery of cisplatin in the 1960s, the search for metallo-drugs that are more efficient than platinum complexes with negligible side effects has attracted much interest. Among the other metals that have been examined for potential applications as anticancer agents is copper. The interest in copper was recently boosted by the discovery of cuproptosis, a recently evidenced form of cell death mediated by copper. However, copper is also known to induce the proliferation of cancer cells. In view of these contradictory results, there is a need to find the most suitable copper chelators, among which Schiff-based derivatives offer a wide range of possibilities. Gathering several metal complexes in a single, larger entity may provide enhanced properties. Among the nanometric objects suitable for such purpose are dendrimers, precisely engineered hyperbranched macromolecules, which are outstanding candidates for improving therapy and diagnosis. In this review article, we present an overview of the use of a particular Schiff base, namely pyridine-imine, linked to the surface of dendrimers, suitable for complexing copper, and the use of such dendrimer complexes in biology, in particular against cancers. Copper ; Dendrimer ; Imine ; Pyridine ; Combinatorial chemistry ; Schiff base ; Chemistry ; Macromolecule ; Nanotechnology ; Materials science ; Polymer chemistry ; Organic chemistry ; Biochemistry Dendrimers and Hyperbranched Polymers ; Metal complexes synthesis and properties ; Ferrocene Chemistry and Applications
Authors: Catherine Helenna Mulyadi | Masanori Uji | Bhavesh Parmar | Kana Orihashi | Nobuhiro Yanai
Source: Precision Chemistry (article, 2024-09-18)
Field: Materials Science — Materials Chemistry

Triplet–Triplet Annihilation-Based Photon Upconversion with a Macrocyclic Parallel Dimer The integration of multiple chromophore units into a single molecule is expected to improve the performance of photon upconversion based on triplet-triplet annihilation (TTA-UC) that can convert low energy photons to higher energy photons at low excitation intensity. In this study, a macrocyclic parallel dimer of 9,10-diphenylanthracene (DPA) with a precisely parallel orientation, named MPD-2, is synthesized, and its TTA-UC properties are investigated. MPD-2 shows a green-to-blue TTA-UC emission in the presence of a triplet sensitizer, platinum octaethylporphyrin (PtOEP). Compared to monomeric DPA, MPD-2 results in an enhancement of the spin statistical factor of TTA and a decrease in the excitation light intensity due to the intramolecular TTA process. The obtained structure-property relationship provides important information for the further improvement of TTA-UC properties. Photon upconversion ; Annihilation ; Dimer ; Photon ; Physics ; Photochemistry ; Materials science ; Nuclear physics ; Chemistry ; Optoelectronics ; Optics ; Nuclear magnetic resonance ; Luminescence Luminescence and Fluorescent Materials ; Lanthanide and Transition Metal Complexes ; Nanoplatforms for cancer theranostics
Authors: Wentao Liu | Guoqiang Yuan | Shu Jiang | Yuxin Shi | Huan Pang
Source: Chemistry - A European Journal (review, 2024-09-21)
Field: Chemistry — Inorganic Chemistry

Two‐Dimensional (2D) Conductive Metal‐Organic Framework Thin Films: The Preparation and Applications in Electrochemistry. Two-dimensional conductive MOF thin films have attracted attention due to their rich pore structure and unique electrical properties, and their applications in many fields, including batteries, sensing, supercapacitors, electrocatalysis, etc. This paper discusses several preparation methods for 2D conductive MOF thin films. And the applications of 2D conductive MOF thin films are summarized. In addition, the current challenges in the preparation of 2D conductive MOF thin films and the great potential in practical applications are discussed. Electrical conductor ; Supercapacitor ; Materials science ; Thin film ; Nanotechnology ; Conductive polymer ; Electrochemistry ; Metal-organic framework ; Electrocatalyst ; Electrode ; Polymer ; Composite material ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Supercapacitor Materials and Fabrication ; MXene and MAX Phase Materials
Authors: Haojie Gu | Shengxiang Fu | Zhongyuan Cai | Hua Ai
Source: Journal of Polymer Science (article, 2024-02-26)
Field: Materials Science — Biomaterials

Polymer/iron oxide nanocomposites as magnetic resonance imaging contrast agents: Polymer modulation and probe property control Abstract Superparamagnetic iron oxide nanoparticles (SPIONs) are commonly used as magnetic resonance imaging (MRI) probes/contrast agents in clinical diagnosis because they can significantly improve the sensitivity of MRI. Polymers including natural and synthetic polymers with good biosafety and abundant surface groups are ideal surface coating for SPIONs to overcome their drawbacks such as poor colloidal stability, low relaxivity, and lack of functionality. Several SPIONs' structural properties such as crystal shape and size, charge, shell thickness, and cluster determine their relaxivity, biosafety, and in vivo imaging effect. Therefore, the rational design of SPIONs probes must explore the relationship between polymer structure and SPION properties. In this review, key structural properties of polymers such as surface groups, molecular weight, hydrophilicity, and grafting density are discussed for their effects on key properties of SPIONs. Additionally, some special polysaccharides, polypeptides, and antibodies can be used as targeting molecules to improve the imaging specificity of SPIONs, which is also briefly discussed in this review. Polymer ; Materials science ; Nanotechnology ; Magnetic resonance imaging ; Rational design ; Coating ; Nanocomposite ; Nanocrystal ; Nanoparticle ; Nanorod ; Biopolymer ; Surface modification ; Chemical engineering ; Composite material Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Iron oxide chemistry and applications
Authors: Bin Li | Ludi Wang | Yu Kang | Hong Cao | Yaoyang Liu | Qian-ge He | Zhong‐Feng Li | Xiaoyan Tang | Jing Chen | Li Wang | Chao Xu
Source: JACS Au (article, 2024-09-02)
Field: Chemistry — Inorganic Chemistry

Amino Acid Decorated Phenanthroline Diimide as Sustainable Hydrophilic Am(III) Masking Agent with High Acid Resistance Hydrophilic actinide masking agents are believed to be efficient alternatives to circumvent the extensive hazardous organic solvents/diluents typically employed in the liquid-liquid extraction for nuclear waste management. However, the practical application of hydrophilic ligands faces significant challenges in both synthetic/purification procedures and, more importantly, the acid resistance of the ligands themselves. Herein, we have demonstrated the combination of phenanthroline diimide framework with a biomotif of histidine flanking parts could achieve efficient separation of trivalent lanthanides/actinides (also actinides/actinides) under high acidity of over 1 M HNO<sub>3</sub>. This approach leverages the soft-hard coordination properties of <i>N, O</i>-hybrid ligands, as well as the energetically favored imides for metal coordination and the multiple protonation of histidine. These factors collectively contribute to the synthesis of an easily accessible, highly water-soluble, superior selective, and acid-resistant Am(III) masking agent. Thus, we have shown in this paper, by proper combination of synthetic <i>N, O</i>-hybrid ligand with amino acid, trivalent lanthanide and actinide separation could be efficiently fulfilled in a more sustainable manner. Actinide ; Diimide ; Masking agent ; Chemistry ; Combinatorial chemistry ; Histidine ; Phenanthroline ; Diluent ; Hazardous waste ; Inorganic chemistry ; Organic chemistry ; Amino acid ; Molecule ; Waste management ; Biochemistry Radioactive element chemistry and processing ; Chemical Synthesis and Characterization ; Lanthanide and Transition Metal Complexes
Authors: J. Mikko Rautiainen | Arto Valkonen | Jan Lundell | Kari Rissanen | Rakesh Puttreddy
Source: Advanced Science (article, 2024-06-13)
Field: Chemistry — Inorganic Chemistry

The Geometry and Nature of C─I···O─N Interactions in Perfluoroiodobenzene‐Pyridine <i>N</i>‐oxide Halogen‐Bonded Complexes The N─Oxide oxygen in the 111 C─I···⁻O─N<sup>+</sup> halogen bond (XB) complexes, formed by five perfluoroiodobenzene XB donors and 32 pyridine N-oxides (PyNO) XB acceptors, exhibits three XB modes: bidentate, tridentate, and monodentate. Their C─I···O XB angles range from 148° to 180°, reflecting the iodine σ-hole's structure-guiding influence. The I···⁻O─N<sup>+</sup> angles range from 87° to 152°. On the contrary, the I···⁻O─N<sup>+</sup> angles have a narrower range from 107° to 125° in stronger monodentate N─I···⁻O─N<sup>+</sup> XBs of N-iodoimides and PyNOs. The C─I···⁻O─N<sup>+</sup> systems exhibit a larger variation in I···⁻O─N<sup>+</sup> angles due to weaker XB donor perfluoroiodoaromatics forming weak I···O XBs, which allows wider access to electron-rich N-O group regions. Density Functional Theory analysis shows that I···O interactions are attractive even when the I···⁻O─N<sup>+</sup> angle is ≈80°. Correlation analysis of structural parameters showed that weak I···O XBs in perfluoroiodobenzene-PyNO complexes affect the C─I bond via n(O)→σ*(C─I) donation less than the N─I bond via n(O)→σ*(N─I) donation in very strong I···O XBs of N-iodoimide-PyNO complexes. This implies that PyNOs' oxygen self-tunes its XB acceptor property, dependent on the XB donor σ-hole strength affecting the bonding denticity, geometry, and interaction energies. Denticity ; Chemistry ; Pyridine ; Crystallography ; Acceptor ; Halogen ; Molecular geometry ; Halogen bond ; Pyridine-N-oxide ; Density functional theory ; Bond length ; Stereochemistry ; Molecule ; Crystal structure ; Computational chemistry ; Medicinal chemistry ; Physics ; Condensed matter physics ; Organic chemistry Inorganic Fluorides and Related Compounds ; Fluorine in Organic Chemistry ; Crystallography and molecular interactions
Authors: Xinyi Fan | Yuexin Bao | Yanhong Chen | Xiaohong Wang | Stephen L. W. On | Jia Wang
Source: Biosensors (article, 2024-03-31)
Field: Materials Science — Materials Chemistry

Synthesis of β-Cyclodextrin@gold Nanoparticles and Its Application on Colorimetric Assays for Ascorbic Acid and Salmonella Based on Peroxidase-like Activities The peroxidase-like behaviors of gold nanoparticles (AuNPs) have the potential to the development of rapid and sensitive colorimetric assays for specific food ingredients and contaminants. Here, using NaBH<sub>4</sub> as a reducing agent, AuNPs with a supramolecular macrocyclic compound β-cyclodextrin (β-CD) capped were synthesized under alkaline conditions. Monodispersal of β-CD@AuNPs possessed a reduction in diameter size and performed great peroxidase-like activities toward both substrates, H<sub>2</sub>O<sub>2</sub> and TMB. In the presence of H<sub>2</sub>O<sub>2</sub>, the color change of TMB oxidization to oxTMB was well-achieved using β-CD@AuNPs as the catalyst, which was further employed to develop colorimetric assays for ascorbic acid, with a limit of detection as low as 0.2 μM in ddH<sub>2</sub>O. With the help of the host-guest interaction between β-CD and adamantane, AuNPs conjugated with nanobodies to exhibit peroxidase-like activities and specific recognition against <i>Salmonella</i> Typhimurium simultaneously. Based on this bifunctional bioprobe, a selective and sensitive one-step colorimetric assay for <i>S</i>. Typhimurium was developed with a linear detection from 8.3 × 10<sup>4</sup> to 2.6 × 10<sup>8</sup> CFU/mL and can be provided to spiked lettuce with acceptable recoveries of 97.31% to 103.29%. The results demonstrated that the excellent peroxidase-like behaviors of β-CD@AuNPs can be applied to develop a colorimetric sensing platform in the food industry. Ascorbic acid ; Chemistry ; Peroxidase ; Adamantane ; Colloidal gold ; Combinatorial chemistry ; Detection limit ; Cyclodextrin ; Nuclear chemistry ; Colorimetry ; Bifunctional ; Chromatography ; Nanoparticle ; Biochemistry ; Nanotechnology ; Enzyme ; Catalysis ; Organic chemistry ; Food science ; Materials science Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Biosensors and Analytical Detection
Authors: Duong D. Nguyen | Jorge Labella | Juan Laforga‐Martín | C. L. Folcia | J. Ortega | Tomás Torres⊗ | Teresa Sierra | Jonathan L. Sessler
Source: Chemical Communications (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Columnar liquid crystals based on antiaromatic expanded porphyrins Three naphthorosarins, antiaromatic expanded porphyrins bearing different <i>meso</i> substituents (NRos 1-3), designed to self-assemble into columnar liquid crystalline (LC) structures, were synthesized and characterized using polarized optical microscopy (POM), differential scanning calorimetry (DSC), X-ray diffraction (XRD), as well as supporting computational calculations. The substituents were found to play a crucial role in modulating the LC behaviour. Antiaromaticity ; Differential scanning calorimetry ; Diffraction ; Crystallography ; Optical microscope ; Liquid crystal ; Liquid crystalline ; Chemistry ; Materials science ; Molecule ; Scanning electron microscope ; Organic chemistry ; Optics ; Aromaticity ; Optoelectronics ; Physics ; Composite material Porphyrin and Phthalocyanine Chemistry ; Photosynthetic Processes and Mechanisms ; Liquid Crystal Research Advancements
Authors: Liliana J. Gomes | Mani Outis | Clara S. B. Gomes | Augusto C. Tomé | Artur J. Moro
Source: Molecules (article, 2024-01-21)
Field: Chemistry — Spectroscopy

Development of Fluorescent Chemosensors for Calcium and Lead Detection In the present work, several coumarin-3-carboxamides with different azacrown ether moieties were designed and tested as potential luminescent sensors for metal ions. The derivative containing a 1-aza-15-crown-5 as a metal chelating group was found to yield the strongest response for Ca<sup>2+</sup> and Pb<sup>2+</sup>, exhibiting an eight- and nine-fold emission increase, respectively, while other cations induced no changes in the optical properties of the chemosensor molecule. Job's plots revealed a 1:1 binding stoichiometry, with association constants of 4.8 × 10<sup>4</sup> and 8.7 × 10<sup>4</sup> M<sup>-1</sup>, and limits of detection of 1.21 and 8.04 µM, for Ca<sup>2+</sup> and Pb<sup>2+</sup>, respectively. Computational studies suggest the existence of a PET quenching mechanism, which is inhibited after complexation with each of these two metals. Proton NMR experiments and X-ray crystallography suggest a contribution from the carbonyl groups in the coumarin-3-carboxamide fluorophore in the coordination sphere of the metal ion. Chemistry ; Fluorophore ; Metal ions in aqueous solution ; Fluorescence ; Coumarin ; Metal ; Chelation ; Molecule ; Ether ; Proton NMR ; Quenching (fluorescence) ; Calcium ; Derivative (finance) ; Crown ether ; Stoichiometry ; Photochemistry ; Combinatorial chemistry ; Ion ; Stereochemistry ; Inorganic chemistry ; Organic chemistry Molecular Sensors and Ion Detection ; Analytical Chemistry and Sensors ; Electrochemical Analysis and Applications
Authors: Tezara Cionita | Mohammad Hazim Mohamad Hamdan | Januar Parlaungan Siregar | Deni Fajar Fitriyana | Ramli Junid | Ling Shing Wong | Jamiluddin Jaafar | Agustinus Purna Irawan | Teuku Rihayat | Rifky Ismail | Athanasius Priharyoto Bayuseno | Emilianus Jehadus
Source: JOURNAL OF RENEWABLE MATERIALS (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Overview of Jute Fibre as Thermoplastic Matrix Polymer Reinforcement Recent decades have seen a substantial increase in interest in research on natural fibres that is aligned with sustainable development goals (SDGs). Due to their renewable resources and biodegradability, natural fiberreinforced composites have been investigated as a sustainable alternative to synthetic materials to reduce the usage of hazardous waste and environmental pollution. Among the natural fibre, jute fibre obtained from a bast plant has an increasing trend in the application, especially as a reinforcement material. Numerous research works have been performed on jute fibre with regard to reinforced thermoset and thermoplastic composites. Nevertheless, current demands on sustainable materials have required new developments in thermoplastic composites. In this paper, the author reviews jute plants as reinforcement materials for thermoplastic matrix polymers. This review provides an overview of the sustainability of jute plants as reinforcement material for thermoplastic matrix polymers. The overview on jute based thermoplastic composites focused on the thermal behavior and mechanical properties. Apart from physical, chemical, and mechanical properties, the study also covers the current and perspectives for future research challenges faced by the researchers on jute fibre reinforced thermoplastic composites. Thermoplastic ; Reinforcement ; Composite material ; Materials science ; Polymer science ; Thermoplastic polymer ; Polymer ; Matrix (chemical analysis) Natural Fiber Reinforced Composites
Authors: Mohammad Bagher Teimouri | Irena Deperasińska | Matt Rammo | Marzena Banasiewicz | Charles W. Stark | Łukasz Dobrzycki | Michał K. Cyrański | Aleksander Rebane | Daniel T. Gryko
Source: The Journal of Organic Chemistry (article, 2024-03-26)
Field: Materials Science — Materials Chemistry

Strongly Polarized π-Extended 1,4-Dihydropyrrolo[3,2-<i>b</i>]pyrroles Fused with Tetrazolo[1,5-<i>a</i>]quinolines A straightforward route to 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles comprised of two electron-withdrawing quinoline or tetrazolo[1,5-<i>a</i>]quinoline scaffolds has been developed. The versatile multicomponent reaction affording 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles combined with intramolecular direct arylation enables assembly of these products in just three steps from anilines with overall yields exceeding 30%. The planarized, ladder-type heteroacenes possess up to 14 conjugated rings. These nominally quadrupolar materials exhibit efficient fluorescence with wavelengths spanning most of the visible spectrum from green-yellow for the dyes possessing biaryl bridges and orange-red for the fully fused systems. In many cases, the fluorescence quantum yields are large, the solvatofluorochromic effects are strong, and the fluorescence is maintained even in crystalline state. Analysis of the electronic structure of these molecular architectures using quantum chemical methods suggests that the character and position of the flanking heterocycle determine the shape of HOMO and LUMO and their extension to <i>N</i>-aryl substituents, influencing the values of molar absorption coefficient. An experimental study of the two-photon absorption (2PA) properties has revealed that it occurs in the 700-800 nm range with apparent deviation from the Laporte parity selection rule, which may be attributed to Hertzberg-Teller contribution to vibronically allowed 2PA transition. Chemistry ; Quinoline ; Intramolecular force ; HOMO/LUMO ; Conjugated system ; Fluorescence ; Quantum efficiency ; Quantum yield ; Absorption (acoustics) ; Aryl ; Chromophore ; Photochemistry ; Stereochemistry ; Molecule ; Organic chemistry ; Optoelectronics ; Alkyl Photochromic and Fluorescence Chemistry ; Organic Electronics and Photovoltaics ; Synthesis and Reactivity of Heterocycles
Authors: Chenhui Hu | Huimin Li | Guangsheng Xu | Zhihua Yang | Jian Han | Shilie Pan
Source: ACS Central Science (article, 2024-11-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The New Paradigm of Ligand Substitution-Driven Enhancement of Anisotropy from SO<sub>4</sub> Units in Short-Wavelength Region For non-π-conjugated [SO<sub>4</sub>] units, it is challenging to generate sufficient birefringence, owing to the high symmetry of the regular tetrahedron. Unlike the traditional trial-and-error approach, we propose a new paradigm for birefringence engineering to tune the optical properties based on [SO<sub>4</sub>] units. Through the strategy of ligand substitution, we can predict its effect on the band gap and anisotropy. Theoretical evaluations reveal generalized results that the anisotropic electron distribution of new functional groups induced by the suitable ligand substitution contributes to the band gap and birefringence. To further validate the correctness of the paradigm, we experimentally synthesized and characterized nine novel compounds with selected functional modules. By the new paradigm of ligand substitution, they can reach up to 4-6 times the birefringence of the corresponding sulfate and maintain the wide bandgap. Through rational design, (CN<sub>4</sub>H<sub>7</sub>)SO<sub>3</sub>NH<sub>2</sub> exhibits about 35 times the birefringence of Li<sub>2</sub>SO<sub>4</sub>, which is a significant order of magnitude improvement and verifies the superiority of our proposed paradigm. This work provides a new paradigm for the modification to the non-π-conjugated group and will guide and accelerate the exploration of novel birefringent crystals in the short-wavelength region. Substitution (logic) ; Ligand (biochemistry) ; Anisotropy ; Wavelength ; Materials science ; Nanotechnology ; Physics ; Crystallography ; Chemistry ; Computer science ; Optics ; Optoelectronics Crystal Structures and Properties ; Molecular spectroscopy and chirality ; Nonlinear Optical Materials Research