jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Aizhamal Subanbekova | Andrey A. Bezrukov | Volodymyr Bon | Varvara I. Nikolayenko | Kyriaki Koupepidou | Debobroto Sensharma | Sousa Javan Nikkhah | Shi‐Qiang Wang | Stefan Kaskel | Matthias Vandichel | Michael J. Zaworotko
Source: ACS Applied Materials & Interfaces (article, 2024-04-26)
Field: Chemistry — Inorganic Chemistry

Effect of Polymorphism on the Sorption Properties of a Flexible Square-Lattice Topology Coordination Network The stimulus-responsive behavior of coordination networks (CNs), which switch between closed (nonporous) and open (porous) phases, is of interest because of its potential utility in gas storage and separation. Herein, we report two polymorphs of a new square-lattice (<b>sql</b>) topology CN, <b>X-sql-1-Cu</b>, of formula [Cu(Imibz)<sub>2</sub>]<sub><i>n</i></sub> (HImibz = {[4-(1<i>H</i>-imidazol-1-yl)phenylimino]methyl}benzoic acid), isolated from the as-synthesized CN <b>X-sql-1-Cu-(MeOH)</b><sub><b>2</b></sub><b>·2MeOH</b>, which subsequently transformed to a narrow pore solvate, <b>X-sql-1-Cu-A·MeOH</b>, upon mild activation (drying in air or heating at 333 K under nitrogen). <b>X-sql-1-Cu-A·MeOH</b> contains MeOH in cavities, which was removed through exposure to vacuum for 2 h, yielding the nonporous (closed) phase <b>X-sql-1-Cu-A</b>. In contrast, a more dense polymorph, <b>X-sql-1-Cu-B</b>, was obtained by exposing <b>X-sql-1-Cu-(MeOH)</b><sub><b>2</b></sub><b>·2MeOH</b> directly to vacuum for 2 h. Gas sorption studies conducted on <b>X-sql-1-Cu-A</b> and <b>X-sql-1-Cu-B</b> revealed different switching behaviors to two open phases (<b>X-sql-1-Cu·CO</b><sub><b>2</b></sub> and <b>X-sql-1-Cu·C</b><sub><b>2</b></sub><b>H</b><sub><b>2</b></sub>), with different gate-opening threshold pressures for CO<sub>2</sub> at 195 K and C<sub>2</sub>H<sub>2</sub> at 278 K. Coincident CO<sub>2</sub> sorption and <i>in situ</i> powder X-ray diffraction studies at 195 K revealed that <b>X-sql-1-Cu-A</b> transformed to <b>X-sql-1-Cu-B</b> after the first sorption cycle and that the CO<sub>2</sub>-induced switching transformation was thereafter reversible. The results presented herein provide insights into the relationship between two polymorphs of a CN and the effect of polymorphism upon gas sorption properties. To the best of our knowledge, whereas <b>sql</b> networks such as <b>X-sql-1-Cu</b> are widely studied in terms of their structural and sorption properties, this study represents only the second example of an in-depth study of the sorption properties of polymorphic <b>sql</b> networks. Sorption ; SQL ; Materials science ; Topology (electrical circuits) ; Benzoic acid ; Crystallography ; Chemistry ; Computer science ; Database ; Physical chemistry ; Adsorption ; Organic chemistry ; Mathematics ; Combinatorics Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Crystallography and molecular interactions
Authors: Carlos Tardío | Esther Pinilla-Peñalver | Beatriz Donoso | Iván Torres‐Moya
Source: Nanomaterials (article, 2024-05-07)
Field: Materials Science — Materials Chemistry

Tunable Unexplored Luminescence in Waveguides Based on D-A-D Benzoselenadiazoles Nanofibers A set of novel Donor-Acceptor-Donor (D-A-D) benzoselenadiazole derivatives has been synthesized and crystallized in nanocrystals in order to explore the correlation between their chemical structure and the waveguided luminescent properties. The findings reveal that all crystals exhibit luminescence and active optical waveguiding, demonstrating the ability to adjust their luminescence within a broad spectral range of 550-700 nm depending on the donor group attached to the benzoselenadiazole core. Notably, a clear relationship exists between the HOMO-LUMO energy gaps of each compound and the color emission of the corresponding optical waveguides. These outcomes affirm the feasibility of modifying the color emission of organic waveguides through suitable chemical functionalization. Importantly, this study marks the first utilization of benzoseleniadiazole derivatives for such purposes, underscoring the originality of this research. In addition, the obtention of nanocrystals is a key tool for the implementation of miniaturized photonic devices. Luminescence ; Nanofiber ; Materials science ; Optoelectronics ; Nanotechnology Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Photoreceptor and optogenetics research
Authors: Huifang Zheng | Qian Chen | Zhijie Chen | Bing‐Jie Ni
Source: Frontiers in Environmental Engineering (review, 2024-01-08)
Field: Chemistry — Inorganic Chemistry

Synthesis and application of Al trimesate-based metal-organic framework: a critical review This review comprehensively explores the synthesis and diverse applications of the Al trimesate-based metal-organic framework, MIL-96 (Al). It begins with an introduction to the structure and properties of MIL-96 (Al), followed by an in-depth discussion of various synthesis strategies, including hydrothermal, microwave irradiation, electrochemical, mechanochemical, and sonochemical methods. The paper then delves into environmental remediation applications, highlighting MIL-96 (Al)’s effectiveness in fluoride and heavy metal removal, as well as in the elimination of volatile organic compounds (VOCs) and CO 2 . The review further examines the role of MIL-96 (Al) in catalysis and its emerging significance in battery technology, showcasing its versatility and potential in sustainable energy solutions. Finally, the paper concludes with perspectives on future research directions, emphasizing the ongoing development and optimization of MIL-96 (Al) for environmental and energy-related applications. Environmental remediation ; Hydrothermal synthesis ; Metal-organic framework ; Microwave irradiation ; Nanotechnology ; Catalysis ; Environmental science ; Materials science ; Hydrothermal circulation ; Computer science ; Engineering ; Chemical engineering ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Covalent Organic Framework Applications
Authors: Rajie A. Medina | Michael Franco | Lyn Marie Z. De Juan | Ryan D. Corpuz
Source: Journal of Metals Materials and Minerals (article, 2024-03-19)
Field: Materials Science — Materials Chemistry

Photoluminescent carbon nanodots for artificial photosynthesis The emerging field of carbon dots (CDs), a type of carbon nanostructure that has gained significant attention due to its unique properties and potential applications. CDs possess remarkable attributes, including photoluminescence, electrochemical potential, compatibility with living organisms, solubility in water, chemical stability, and versatile surface properties. The chemical structure, particle size, and surface functionalities of CDs all have an impact on their photoluminescent properties, which are the focus of this review. The photoluminescence mechanism in CDs is discussed, highlighting their amorphous structure, and comparing them to graphene quantum dots. The paper delves into the application of CDs in artificial photosynthesis, which enhances crop growth by improving the photo-synthesis process. CDs increase sunlight and carbon dioxide absorption rates by interacting with plant leaves, potentially leading to substantial crop yield improvements. The advantages of CDs in artificial photosynthesis are explored, including their modifiable absorption characteristics across the ultraviolet to near-infrared spectrum. The paper acknowledges challenges in CD production, such as size control and aggregation, while emphasizing their potential in various fields, including sensing, bioimaging, energy devices, and catalysis. CDs' unique optical properties and versatile applications suggest a promising future for these nanostructures in numerous scientific and technological domains. Materials science ; Nanodot ; Photoluminescence ; Carbon fibers ; Artificial photosynthesis ; Nanotechnology ; Photosynthesis ; Chemical engineering ; Optoelectronics ; Composite material ; Botany ; Photocatalysis ; Biology ; Composite number ; Catalysis Carbon and Quantum Dots Applications ; Electrochemical sensors and biosensors ; Quantum Dots Synthesis And Properties
Authors: Sevde Demir | Gökhan Dıkmen | Hakan Erer
Source: Journal of Inorganic and Organometallic Polymers and Materials (article, 2024-04-23)
Field: Chemistry — Inorganic Chemistry

2D Cadmium(II) Coordination Polymer Based on 2,5-Furandicarboxylate and 1,4-Bis(1H-imidazol-1-yl)butane Linkers: Synthesis, Characterization and DFT Studies Abstract As a result of hydrothermal synthesis of 2,5-furandicarboxylate (fdc 2− ), Cd(II) ion and bis(imidazole) derivative 1,4-bis(1 H -imidazole-1-yl)butane (bib) ligand, a novel two-dimensional Cd(II) coordination polymer {[Cd(µ-fdc)(H 2 O)(µ-bib)]·H 2 O} n ( 1 ) was synthesized. According to the results of single crystal X-ray diffraction analysis, the complex was crystallized in the monoclinic system and in the P 2 1 / n space group. In addition, the thermal, luminescence and optical properties of the complex were investigated. The complex emits a maximum at 509 nm and also shows semi-conductor properties according to the solid-state UV–Vis diffuse reflection spectra results. To determine chemical structure, vibrational properties and some chemical properties of complex, theoretical calculations were carried out. All theoretical computations were performed using the DFT method at the B3LYP/LanL2DZ level of theory. The obtained experimental results were in good agreement with theoretical results. To calculate HOMO–LUMO energy values, which provided insights into the material's electronic properties, DFT calculations were used. Detailed information about the local and global chemical activity, as well as the electrophilic and nucleophilic nature of the complex, were also obtained. Monoclinic crystal system ; Imidazole ; Butane ; Physical chemistry ; Ligand (biochemistry) ; Crystallography ; Luminescence ; Single crystal ; Coordination polymer ; Materials science ; HOMO/LUMO ; Chemistry ; Crystal structure ; Stereochemistry ; Molecule ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Metal complexes synthesis and properties
Authors: Thomas P. Nicholls | Zhongfan Jia | Justin M. Chalker
Source: Chemistry - A European Journal (article, 2024-10-04)
Field: Chemistry — Electrochemistry

Electrochemical Synthesis of Metal Complexes Using Dissolving Anodes The use of dissolving metal electrodes for the direct electrochemical synthesis of metal complexes has been used widely in the last decade. A major benefit of the electrochemical approach is the minimal by-products resulting from the synthesis. As such, metal complexes can be produced on-demand and used directly in catalysis without the need for purification. Furthermore, the electrochemical method enables the production of metal complexes that cannot be synthesized using other methods, including those with base-sensitive ligands. General principles of the electrochemical method and recent advances in the field are discussed. Electrochemistry ; Metal ; Dissolution ; Anode ; Base metal ; Combinatorial chemistry ; Electrode ; Materials science ; Catalysis ; Nanotechnology ; Inorganic chemistry ; Chemistry ; Organic chemistry ; Metallurgy ; Physical chemistry Electrochemical Analysis and Applications ; Inorganic and Organometallic Chemistry ; Polyoxometalates: Synthesis and Applications
Authors: Nagireddy Poluri | Christopher R. Gough | Steven Sanderlin | Christopher Velardo | Anthony Barca | José Ricardo Pinto | Joseph Perrotta | Michael B. Cohen | Xiao Hu
Source: International Journal of Molecular Sciences (article, 2024-12-29)
Field: Materials Science — Biomaterials

Silk-Corn Zein Alloy Materials: Influence of Silk Types (Mori, Thai, Muga, Tussah, and Eri) on the Structure, Properties, and Functionality of Insect–Plant Protein Blends Biocompatible materials fabricated from natural protein polymers are an attractive alternative to conventional petroleum-based plastics. They offer a green, sustainable fabrication method while also opening new applications in biomedical sciences. Available from several sources in the wild and on domestic farms, silk is a widely used biopolymer and one of the strongest natural materials. This study aims to compare five different types of silk (Mori, Thai, Muga, Tussah, and Eri) fabricated into thin composite films in conjunction with plant-based proteins. To offer a wider range of morphologies, corn zein, another widely available protein material, was introduced into the silk protein networks to form blended polymers with various ratios of silk to zein. This resulted in the successful alloying of protein from an animal source with protein from a plant source. The material properties were confirmed through structural, morphological, and thermal analyses. FTIR analysis revealed the dominance of intramolecular beta-sheet structures in wild silks, while the domestic silks and zein favored random coil and alpha-helical structures, respectively. Post-treatments using water annealing further refined the structure and morphology of the films, resulting in stable composites with both inter- and intramolecular beta-sheet structures in wild silks. While in domestic silks, the random coils were converted into intermolecular beta-sheets with enhanced beta-sheet crystallinity. This improvement significantly enhanced the thermal and structural properties of the materials. By deciding on the source, ratio, and treatment of these biopolymers, it is possible to tailor protein blends for a wide range of applications in medicine, tissue engineering, food packaging, drug delivery, and bio-optics. SILK ; Biopolymer ; Crystallinity ; Materials science ; Random coil ; Fibroin ; Polymer science ; Polymer ; Thermal stability ; Composite material ; Chemical engineering ; Protein secondary structure ; Chemistry Silk-based biomaterials and applications ; Silkworms and Sericulture Research ; Insect Utilization and Effects
Authors: Alexandra S. Antonova | Федор И. Зубков
Source: Russian Chemical Reviews (article, 2024-08-01)
Field: Chemistry — Organic Chemistry

Hoveyda-Grubbs type complexes with ruthenium-pnictogen/halcogen/halogen coordination bond. Synthesis, catalytic activity, applications. Catalytic olefin metathesis using Hoveyda-Grubbs-type ruthenium complexes is a powerful tool for creating complex molecules possessing a variety of practically useful properties. This method is also applied for obtaining modern polymer materials from low-demand petroleum products. Among all ruthenium complexes containing five- or six-membered chelate rings, the commercially available HG-II catalyst is the most common. In addition, other Hoveyda-Grubbs-type complexes, which include a Het→Ru donor-acceptor bond in the chelate ring, often exhibit metathesis activity equal to or superior to that of HG-II. This review considers second-generation N-heterocyclic ruthenium carbene Hoveyda-Grubbs-type complexes with donor-acceptor bonds such as O→Ru, S→Ru, Se→Ru, N→Ru, P→Ru and Hal→Ru in the chelate ring. Methods of preparation, analysis of stability and catalytic activity of such complexes are compared, and examples of the application of these organometallic ruthenium derivatives in the synthesis of practically relevant products are provided. The literature from 2010 to 2023 is summarized, making this review useful for a broad audience of chemists working in heterocyclic and organometallic chemistry, as well as practitioners involved in the production of catalysts and polymers. Bibliography includes 174 references. Chemistry ; Pnictogen ; Ruthenium ; Catalysis ; Halogen ; Combinatorial chemistry ; Polymer chemistry ; Organic chemistry Synthetic Organic Chemistry Methods ; Asymmetric Synthesis and Catalysis ; Advanced Synthetic Organic Chemistry
Authors: Thanh V. Q. Nguyen | Peter Reinhard Hansen
Source: European Journal of Organic Chemistry (article, 2024-12-12)
Field: Chemistry — Organic Chemistry

<i>p</i>‐Anisil as a Versatile Catalyst for the <i>E‐to‐Z</i> Photoisomerization of Activated Alkenes ‐ Application in Late‐Stage Modification of Small Molecule Drugs, Di‐ and Tripeptides Abstract High‐throughput experimentation was employed to discover p ‐Anisil as a highly effective and versatile catalysts for the E‐to‐Z photoisomerization of cinnamic acid derivatives and other activated alkenes. This new catalytic system tolerated a number of functional groups found in medicinal chemistry. The discovery enabled the preparation of previously unknown complex Z ‐alkenes in two steps directly from drugs or peptides. Photoisomerization ; Chemistry ; Catalysis ; Cinnamic acid ; Combinatorial chemistry ; Organic chemistry ; Isomerization Radical Photochemical Reactions ; Oxidative Organic Chemistry Reactions ; Catalytic C–H Functionalization Methods
Authors: Wenyan Dan | Guangfeng Wei | Xiangdong Fang
Source: Molecules (article, 2024-01-15)
Field: Chemistry — Inorganic Chemistry

Three-Dimensional Hydrogen-Bonded Porous Metal-Organic Framework for Natural Gas Separation with High Selectivity A 3D hydrogen-bonded metal-organic framework, [Cu(apc)<sub>2</sub>]<sub>n</sub> (<b>TJU-Dan-5</b>, Hapc = 2-aminopyrimidine-5-carboxylic acid), was synthesized via a solvothermal reaction. The activated <b>TJU-Dan-5</b> with permanent porosity exhibits a moderate uptake of 1.52 wt% of hydrogen gas at 77 K. The appropriate BET surface areas and decoration of the internal polar pore surfaces with groups that form extensive hydrogen bonds offer a more favorable environment for selective C<sub>2</sub>H<sub>6</sub> adsorption, with a predicted selectivity for C<sub>2</sub>H<sub>6</sub>/CH<sub>4</sub> of around 101 in C<sub>2</sub>H<sub>6</sub>/CH<sub>4</sub> (5:95, <i>v</i>/<i>v</i>) mixtures at 273 K under 100 kPa. The molecular model calculation demonstrates a C-H···π interaction and a van der Waals host-guest interaction of C<sub>2</sub>H<sub>6</sub> with the pore walls. This work provides a strategy for the construction of 3D hydrogen-bonded MOFs, which may have great potential in the purification of natural gas. van der Waals force ; Porosity ; Selectivity ; Adsorption ; Hydrogen bond ; Hydrogen ; Metal-organic framework ; Chemical engineering ; Natural gas ; Metal ; Materials science ; Chemistry ; Gas separation ; Molecule ; Inorganic chemistry ; Organic chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Boron and Carbon Nanomaterials Research ; Covalent Organic Framework Applications
Authors: Reilly K. Gwinn | Matthew Williams | Trevor P. Latendresse | Carla Slebodnick | Diego Troya | Tasnema Tarannum | Diana A. Thornton
Source: Inorganic Chemistry (article, 2024-04-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis, Characterization, and the Effect of Lewis Bases on the Nuclearity of Iron Alkoxide Complexes Inspired by the potential of alkoxides as weak-field ligands and their ability to bridge, we report herein a series of high-spin iron complexes supported by a bis-alkoxide framework <sup><b>Ph</b></sup><b>Dbf</b>. A diiron complex [Fe<sub>2</sub>(<sup>Ph</sup>Dbf)<sub>2</sub>] (<b>1a</b>) is obtained upon metalation of the ligand, whereas addition of substituted pyridines affords five-coordinate mononuclear iron complexes [(R-Py)<sub>2</sub>Fe(<sup>Ph</sup>Dbf)] (<b>2a</b>-<b>4a</b>, R = H, <i>p</i>-<sup><i>t</i></sup>Bu, <i>p</i>-CF<sub>3</sub>). The potential for nuclearity control of the metal complexes via auxiliary ligands is highlighted by the formation of asymmetric diiron species [(<i>p</i>-CF<sub>3</sub>-Py)Fe<sub>2</sub>(<sup>Ph</sup>Dbf)<sub>2</sub>] (<b>5a</b>) and [(<i>m</i>-CF<sub>3</sub>-Py)Fe<sub>2</sub>(<sup>Ph</sup>Dbf)<sub>2</sub>] (<b>6a</b>) with trifluoromethyl substituted pyridines, while electron-rich pyridines only produced monomeric species. Electronic properties analysis via UV-vis, electron paramagnetic resonance, <sup>57</sup>Fe Mössbauer spectroscopy, and time-dependent density functional theory, along with redox capabilities of these complexes are reported to illustrate the effect of nuclearity on reactivity and the potential of these complexes to access higher oxidation states relevant in oxidative chemistry. Species <b>1a</b>-<b>5a</b>, [(THF)<sub>2</sub>Fe(<sup>Ph</sup>Dbf)][PF<sub>6</sub>] (<b>7</b>), [PyFe(<sup>Ph</sup>Dbf)Cl] (<b>2b</b>), and [Py<sub>2</sub>Fe(<sup>Ph</sup>Dbf)][PF<sub>6</sub>] (<b>2c</b>) were characterized via SCXRD. Indirect evidence for the formation of dimeric Fe(III) species (<b>1b</b>, <b>5b</b>, and <b>6b</b>) is discussed. Chemistry ; Alkoxide ; Electron paramagnetic resonance ; Ligand (biochemistry) ; Reactivity (psychology) ; Metalation ; Lewis acids and bases ; Crystallography ; Redox ; Trifluoromethyl ; Density functional theory ; Monomer ; Mössbauer spectroscopy ; Magnetochemistry ; Stereochemistry ; Medicinal chemistry ; Inorganic chemistry ; Computational chemistry ; Catalysis ; Crystal structure ; Organic chemistry ; Polymer ; Nuclear magnetic resonance Magnetism in coordination complexes ; Metal-Catalyzed Oxygenation Mechanisms ; Porphyrin and Phthalocyanine Chemistry
Authors: Yasemin Acar | Amy J. Managh | Eric J. Hill | Paul Roach
Source: Journal of Biomedical Materials Research Part A (article, 2024-12-13)
Field: Materials Science — Biomaterials

Tuning Surface Chemistry Impacts on Cardiac Endothelial and Smooth Muscle Cell Development Cardiovascular diseases (CVDs) are the leading causes of death worldwide, with approx. Twenty million deaths in 2021. Cardiovascular implants are among the most used biomaterials in the clinical world. However, poor endothelialisation and rapid thrombosis remains a challenge. Simple chemical surface modification techniques can be used to steer biological interactions without affecting the bioimplants' overall bulk characteristics such as radiopacity and flexibility. Although silanes are well studied for protein and cell interactions, the methodical investigation of cardiac endothelial cell (EC) alongside smooth muscle cell (SMC) to mimic natural arterial environments has been limited. In this study, these cells have been investigated on surfaces functionalized with methyl, amine, thiol, methacrylate, and fluorine organosilane groups. Cardiac EC and SMC growth was investigated with metabolic activity, time lapse imaging, and immunofluorescent staining techniques. The results demonstrated that the surfaces tested are able to selectively regulate the viability and growth of the cells. Aminosilane modified surfaces displayed 2-fold higher metabolic activity with HUVEC and 2-fold less metabolic activity with HCASMC cell lines, compared to tissue culture plastic controls. The amino-modification outperformed all other chemistries tested in terms of ability to promote the proliferation of ECs, while importantly reducing the activity of SMCs. This report demonstrates that aminosilane modified surfaces have the potential to be utilized in novel cardiovascular implants, which could improve biological integration in the short and possibly longer-term. The findings of this study suggest that specific chemical modifications of the surface can enhance endothelial cell activity while minimizing the proliferation of smooth muscle cells, which are often associated with thrombosis. This highlights the potential of carefully engineered surface chemistries to improve the clinical outcomes of cardiovascular implants. Cell growth ; Surface modification ; Cell ; Myocyte ; Cell culture ; Tissue engineering ; Viability assay ; Materials science ; Cardiac cell ; Biochemistry ; Biophysics ; Biomedical engineering ; Chemistry ; Cell biology ; Biology ; Medicine Electrospun Nanofibers in Biomedical Applications ; Polymer Surface Interaction Studies ; Bone Tissue Engineering Materials