jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Minsuk Park | Seongjoo Hwang | Sang‐Yong Ju
Source: Nanomaterials (article, 2022-09-27)
Field: Materials Science — Materials Chemistry

The Effects of Lengths of Flavin Surfactant N-10-Alkyl Side Chains on Promoting Dispersion of a High-Purity and Diameter-Selective Single-Walled Nanotube Flavin with defined helical self-assembly helps to understand chemical designs for obtaining high-purity semiconducting (<i>s</i>)-single-walled carbon nanotubes (SWNT) in a diameter (<i>d</i><sub>t</sub>)-selective manner for high-end applications. In this study, flavins containing 8, 12, 16, and 20 <i>n</i>-alkyl chains were synthesized, and their single/tandem effects on <i>d</i><sub>t</sub>-selective <i>s</i>-SWNT dispersibility were investigated at isomolarity. Flavins with <i>n</i>-dodecyl and longer chain lengths (FC12, FC16, and FC20) act as good surfactants for stable SWNT dispersions whereas <i>n</i>-octyl flavin (FC8) exhibits poor dispersibility owing to the lack of SWNT buoyancy. When used with small-<i>d</i><sub>t</sub> SWNT, FC8 displays chirality-selective SWNT dispersion. This behavior, along with various flavin helical motifs, prompts the development of criteria for 'side chain length (<i>l</i><sub>S</sub>)' required for stable and <i>d</i><sub>t</sub>-selective SWNT dispersion, which also explains <i>l</i><sub>S</sub>-dependent <i>d</i><sub>t</sub>-enrichment behavior. Moreover, SWNT dispersions with flavins with dodecyl and longer <i>l</i><sub>S</sub> exhibit increased metallic (<i>m</i>)-SWNT, background absorption-contributing carbonaceous impurities (CIs) and preferential selectivity of <i>s</i>-SWNT with slightly larger <i>d</i><sub>t</sub>. The increased CIs that affect the SWNT quantum yield were attributed to a solubility parameter. Furthermore, the effects of flavin <i>l</i><sub>S</sub>, sonication bath temperature, centrifugal speed, and surfactant concentration on SWNT purity and <i>s</i>-/<i>m</i>-SWNT ratio were investigated. A tandem FC8/FC12 provides fine-tuning of <i>d</i><sub>t</sub>-selective SWNT dispersion, wherein the FC8 ratio governs the tendency towards smaller <i>d</i><sub>t</sub>. Kinetic and thermodynamic assemblies of tandem flavins result in different sorting behaviors in which wide <i>d</i><sub>t</sub>-tunability was demonstrated using kinetic assembly. This study highlights the importance of appropriate side chain length and other extrinsic parameters to obtain <i>d</i><sub>t</sub>-selective or high-purity <i>s</i>-SWNT. Alkyl ; Pulmonary surfactant ; Dispersion (optics) ; Nanotube ; Flavin group ; Materials science ; Side chain ; Nanotechnology ; Chemical engineering ; Chemistry ; Carbon nanotube ; Organic chemistry ; Optics ; Composite material ; Physics Carbon Nanotubes in Composites ; Conducting polymers and applications ; Graphene research and applications
Authors: Mehdi Boutebdja | N. Baâdji | Chahrazed Beghidja | Pierre Rabu | Adel Beghidja
Source: Journal of Molecular Structure (article, 2022-08-30)
Field: Chemistry — Inorganic Chemistry

Experimental and theoretical investigation of structure-magnetic properties relationships in a new heteroleptic one-dimensional triple bridged azido/acetato/DMSO copper (II) coordination polymer Chemistry ; Copper ; Antiferromagnetism ; Ferromagnetism ; Carboxylate ; Crystallography ; Coordination polymer ; Ion ; Octahedron ; Magnetic susceptibility ; Molecule ; Azide ; Crystal structure ; Stereochemistry ; Condensed matter physics ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes
Authors: Shan Dai | Eva Montero‐Lanzuela | Antoine Tissot | Hermenegildo García Baldoví | Hermenegildo Garcı́a | Sergio Navalón | Christian Serre
Source: ChemRxiv (preprint, 2022-08-12)
Field: Chemistry — Inorganic Chemistry

Room Temperature design of Ce(IV)-MOFs: from photocatalytic HER and OER to overall water splitting under simulated sunlight irradiation Room temperature synthesis (RTS) of tetravalent MOFs is a promising strategy to design MOFs and their related (nano)composites. By employing these mild conditions, herein, we report for the first time an efficient sustainable way to form highly redox active Ce(IV)-MOFs that are inaccessible at elevated temperatures. Consequently, not only highly crystalline Ce-UiO-66-NH2 is synthesized, but also many other derivatives and topologies (8 and 6-connected phases) without compromise in space-time yield. Their photocatalytic HER and OER activity under simulated sunlight irradiation are in good agreement with their energy level diagrams: Ce-UiO-66-NH2 and Ce-UiO-66-NO2 are the most active photocatalysts for the HER and OER, respectively, with a higher activity than other metals-based UiO-type MOFs. Combining Ce-UiO-66-NH2 with supported Pt NPs results finally in one of the most active and reusable photocatalysts for the overall water splitting into H2 and O2 under simulated sunlight irradiation, due to its efficient photoinduced charge separation evidenced by laser flash photolysis and photoluminescence spectroscopies. Photocatalysis ; Irradiation ; Materials science ; Water splitting ; Photoluminescence ; Sunlight ; Redox ; Photochemistry ; Nanotechnology ; Chemical engineering ; Optoelectronics ; Chemistry ; Catalysis ; Optics ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Covalent Organic Framework Applications
Authors: Irene Bechis | Adam F. Sapnik | Andrew Tarzia | Emma H. Wolpert | Matthew A. Addicoat | David A. Keen | Thomas D. Bennett | Kim E. Jelfs
Source: ChemRxiv (preprint, 2022-05-20)
Field: Chemistry — Inorganic Chemistry

Modelling the effect of defects and disorder in amorphous metal−organic frameworks Amorphous metal−organic frameworks (aMOFs) are a class of disordered framework materials with a defined local order given by the connectivity between inorganic nodes and organic linkers, but absent longer-range order. The rational development of function for aMOFs is hindered by our limited understanding of the underlying structure-property relationships in these systems, a consequence of the absence of long-range order, which makes experimental characterization particularly challenging. Here, we use a versatile modelling approach to generate in-silico structural models for an aMOF based on Fe trimers and 1,3,5-benzenetricarboxylate (BTC) linkers, Fe-BTC. We build a phase space for this material that includes nine amorphous phases with different degrees of defects and local order. These models are analyzed through a combination of structural analysis, pore analysis and pair distribution functions. Therefore, we are able to systematically explore the effects of the variation of each of these features, both in isolation and combined, for a disordered MOF system, something that would not be possible through experiment alone. We find that the degree of local order has a greater impact on structure and properties than the degree of defects. The approach presented here is versatile and allows for the study of different structural features and MOF chemistries, enabling the development of design rules for the rational design of aMOFs. Amorphous solid ; Rational design ; Characterization (materials science) ; Metal-organic framework ; Pair distribution function ; Function (biology) ; Biological system ; Materials science ; Characterisation of pore space in soil ; Order (exchange) ; Computer science ; Nanotechnology ; Chemistry ; Mathematics ; Crystallography ; Physical chemistry Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes
Authors: Giuseppina Anna Corrente | Giuseppe Di Maio | Massimo La Deda | Odda Ruiz de Ballesteros | Bartolo Gabriele | Lucia Veltri | Finizia Auriemma | Amerigo Beneduci
Source: Nanomaterials (article, 2022-12-01)
Field: Materials Science — Materials Chemistry

The Rainbow Arching over the Fluorescent Thienoviologen Mesophases Thermofluorochromic materials exhibit tunable fluorescence emission on heating or cooling. They are highly desirable for applications ranging from temperature sensing to high-security anti-counterfeiting. Luminescent matrices based on liquid crystals are very promising, particularly those based on liquid crystals with intrinsic fluorescence. However, only a few examples have been reported, suggesting ample margins for development in the field, due to the wide range of fluorophores and supramolecular organizations to be explored. Moreover, thermofluorochromic liquid crystals can be tailored with further functionalities to afford multi-stimuli responsive materials. For the first time, herein we report the thermofluorochromism of thienoviologen liquid crystals, already known to show bulk electrochromism and electrofluorochromism. In particular, we studied their photophysics in the 25 °C-220 °C range and as a function of the length of the N-linear alkyl chains, <i>m</i> (9 ≤ <i>m</i> ≤ 12 C atoms), and the type of anion, <i>X</i> (<i>X</i> = OTs<sup>-</sup>, OTf<sup>-</sup>, BF<sub>4</sub><sup>-</sup>, NTf<sub>2</sub><sup>-</sup>). Interestingly, by changing the parameters <i>m</i>, <i>X</i> and T, their fluorescence can be finely tuned in the whole visible spectral range up to the NIR, by switching among different mesophases. Importantly, by fixing the structural parameters <i>m</i> and <i>X</i>, an interesting thermofluorochromism can be achieved for each thienoviologen in a homologous series, leading to a switch of the emitted light from red to green and from white to blue as a consequence of the temperature-induced variation in the supramolecular interactions in the self-assembled phases. Fluorescence ; Materials science ; Supramolecular chemistry ; Luminescence ; Liquid crystal ; Alkyl ; Range (aeronautics) ; Homologous series ; Crystallography ; Chemical physics ; Nanotechnology ; Optoelectronics ; Optics ; Chemistry ; Crystal structure ; Organic chemistry Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Molecular Sensors and Ion Detection
Authors: Estefanía Bello‐Jurado | Daniel Schwalbe‐Koda | Mathias Nero | Cecilia Paris | Toni Uusimäki | Yuriy Román‐Leshkov | Avelino Corma | Tom Willhammar | Rafael Gómez‐Bombarelli | Manuel Moliner
Source: Angewandte Chemie (article, 2022-05-04)
Field: Materials Science — Materials Chemistry

Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure‐Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx Abstract A novel ab initio methodology based on high‐throughput simulations has permitted designing unique biselective organic structure‐directing agents (OSDAs) that allow the efficient synthesis of CHA/AEI zeolite intergrowth materials with controlled phase compositions. Distinctive local crystallographic ordering of the CHA/AEI intergrowths was revealed at the nanoscale level using integrated differential phase contrast scanning transmission electron microscopy (iDPC STEM). These novel CHA/AEI materials have been tested for the selective catalytic reduction (SCR) of NOx, presenting an outstanding catalytic performance and hydrothermal stability, even surpassing the performance of the well‐established commercial CHA‐type catalyst. This methodology opens the possibility for synthetizing new zeolite intergrowths with more complex structures and unique catalytic properties. Zeolite ; Catalysis ; Hydrothermal circulation ; NOx ; Transmission electron microscopy ; Selective catalytic reduction ; Chemical engineering ; Chemistry ; Phase (matter) ; Materials science ; Nanotechnology ; Scanning transmission electron microscopy ; Organic chemistry Catalytic Processes in Materials Science ; Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis
Authors: Michael Arkas | Georgia Kythreoti | Evangelos P. Favvas | Κωνσταντίνος Γιαννακόπουλος | Nafsica Mouti | Marina Arvanitopoulou | Ariadne Athanasiou | Marilina Douloudi | Eleni Nikoli | M. Vardavoulias | Marios Dimitriou | Ioannis Karakasiliοtis | Victoria Ballén | Sara M. Soto
Source: Preprints.org (preprint, 2022-07-25)
Field: Chemistry — Organic Chemistry

Hydrophilic Antimicrobial Coatings for Medical Leathers from Silica-Dendritic Polymer-Silver Nanoparticle Composite Xerogels Hybrid organic-inorganic (dendritic polymer-silica) xerogels containing silver nanoparticles (Ag-Nps) were developed as antibacterial leather coatings. The preparation method is environmentally friendly, based on two biomimetic reactions. Silica gelation and spontaneous (Ag-Np) formation were both mediated by hyperbranched poly (ethylene imine) (PEI) scaffolds of variable Mw (2000-750000). The formation of precursor hydrogels was monitored by dynamic light scattering (DLS). The chemical composition of the xerogels was assessed by Infra-Red Spectroscopy (IR) and Energy-dispersive X-ray spectroscopy (EDS) while the uniformity of the coatings was established by scanning electron microscopy (SEM). Release properties of coated leather samples and overall behaviour in water in comparison to untreated analogs were investigated by UV-Vis spectroscopy. Antibacterial activity was tested towards Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus, and antibiofilm properties against Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, Acinetobacter baumannii, Enterococcus faecalis while SARS-Cov-2 clinical isolate was employed for the first estimation of their antiviral potential. Toxicity was evaluated using the Jurkat E6.1-cell line. Finally, water contact angle measurements were implemented to determine the enhancement of the leather surface hydrophilicity caused by these composite layers. The final advanced products are intended for use in medical applications. Dynamic light scattering ; Materials science ; Enterococcus faecalis ; Staphylococcus epidermidis ; Contact angle ; Composite number ; Nanoparticle ; Polymer ; Nuclear chemistry ; Ethylene glycol ; Chemical engineering ; Staphylococcus aureus ; Chemistry ; Escherichia coli ; Nanotechnology ; Organic chemistry ; Composite material ; Bacteria Antimicrobial agents and applications ; Polydiacetylene-based materials and applications
Authors: Daniel J. Traynor | Elena Ureña-Horno | J. Hobson | Elliot J. Croft | Stephanie E. Edwards | Steve P. Rannard | Marco Giardiello
Source: New Journal of Chemistry (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Aqueous (co)polymer stabilisers for size-controlled 2–5 nm gold nanoparticle synthesis with tuneable catalytic activity Tuneable (co)polymer composition and architecture influences both AuNP size during synthesis and catalytic activity for the reduction of 4-Nitrophenol. Chemistry ; Catalysis ; Aqueous solution ; Colloidal gold ; Nanoparticle ; Polymer ; Nanotechnology ; Chemical engineering ; Combinatorial chemistry ; Organic chemistry Nanomaterials for catalytic reactions ; Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Paulina Peksa | Adam Sieradzki
Source: Lithuanian Journal of Physics (article, 2022-12-10)
Field: Chemistry — Inorganic Chemistry

Controversy on the ferroelectricity in metal–formate frameworks The metal–organic frameworks (MOFs) crystallizing in a perovskite-like architecture became extremely interesting for scientists due to a variety of applications including memory devices, energy conversion and drug delivery. These compounds are constructed from a metal–oxygen or metal–nitrogen octahedral coordinated by organic ligands. They exhibit various interesting properties due to their hybrid organic–inorganic nature. However, ferroelectric MOFs still remain scarce and the topic of ferroelectricity raises a lot of controversies. In this article, we will discuss the actual state of knowledge of these specific compounds with a focus on ferroelectric properties. We will try to create an order out of the current confusion that followed attributing ferroelectric properties to metal–formate frameworks without a direct proof. Ferroelectricity ; Confusion ; Nanotechnology ; Materials science ; Perovskite (structure) ; Metal ; Octahedron ; Chemistry ; Organic chemistry ; Optoelectronics ; Crystal structure Metal-Organic Frameworks: Synthesis and Applications ; Polyoxometalates: Synthesis and Applications ; Magnetism in coordination complexes
Authors: Inés Soldevilla | Montserrat Santamaría‐Paganini | M. Elena Olmos | Miguel Monge | José M. López‐de‐Luzuriaga | María Rodríguez‐Castillo
Source: Applied Organometallic Chemistry (article, 2022-10-13)
Field: Materials Science — Materials Chemistry

Site‐selective multi‐emitter gold‐silver metallopolymers: A novel class of self‐assembled materials New luminescent heterometallopolymers [(Au‐C 6 F 5 ) m (AgOSO 2 CF 3 ) n (PVP)] with different Au:Ag molar ratios were synthesized. The luminescent emissions of these polymers are strongly dependent on the temperature, excitation wavelengths, and the Au(I):Ag(I) molar ratio. The incorporation of a precise amount of Ag(I) atoms in the backbone of [(Au‐C 6 F 5 ) m (PVP)] metallopolymer allows a controlled tuning of the emission energy in the green‐blue range. Chemistry ; Luminescence ; Molar ratio ; Excitation ; Polymer ; Wavelength ; Excitation wavelength ; Common emitter ; Nanotechnology ; Photochemistry ; Analytical Chemistry (journal) ; Optoelectronics ; Organic chemistry ; Materials science ; Catalysis Nanocluster Synthesis and Applications ; Organometallic Complex Synthesis and Catalysis ; Organic Light-Emitting Diodes Research
Authors: Hamza Abu Owida | Muhammad Al-Ayyad | M. Rashid
Source: Journal of Optoelectronic and Biomedical Materials (article, 2022-10-01)
Field: Materials Science — Biomaterials

Biomimetic tissue regeneration using electrospun nanofibrous scaffolds An emerging field of tissue engineering combines medical, biological, and engineering principles to produce tissue-engineered constructs that regenerate, preserve, or slightly enhance the functions of natural tissue. By creating structures that replicate the extracellular matrix, oxygen and nutrients will be transmitted more effectively while releasing toxins during tissue repair, all while creating mature tissues. Three-dimensional nanostructures for tissue engineering have been the focus of numerous studies over the last few years. Electrospinning is a highly effective technique in this category. The last few decades, numerous nanofibrous scaffolds have been developed for tissue repair and restoration. Nanofibrous meshes as tissue engineered scaffolds for various tissues, such as neural, cardiovascular, skin, cartilage, and tendon are discussed in this article. In addition, the current article discusses recent advancements in tissue regeneration as well as challenges associated with electrospinning. Tissue engineering ; Regeneration (biology) ; Electrospinning ; Extracellular matrix ; Cartilage ; Biomedical engineering ; Nanofiber ; Nanotechnology ; Regenerative medicine ; Self-healing hydrogels ; Materials science ; Anatomy ; Cell biology ; Engineering ; Biology ; Stem cell ; Polymer ; Composite material Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Bone Tissue Engineering Materials
Authors: Ramón Azpíroz | Mert Olgun Karataş | Vincenzo Passarelli | İsmaıl Özdemır | Jesús J. Pérez‐Torrente | Ricardo Castarlenas
Source: Molecules (article, 2022-10-18)
Field: Chemistry — Organic Chemistry

Preparation of Mixed Bis-N-Heterocyclic Carbene Rhodium(I) Complexes A series of mixed bis-NHC rhodium(I) complexes of type RhCl(η<sup>2</sup>-olefin)(NHC)(NHC') have been synthesized by a stepwise reaction of [Rh(<i>μ</i>-Cl)(η<sup>2</sup>-olefin)<sub>2</sub>]<sub>2</sub> with two different NHCs (NHC = N-heterocyclic carbene), in which the steric hindrance of both NHC ligands and the η<sup>2</sup>-olefin is critical. Similarly, new mixed coumarin-functionalized bis-NHC rhodium complexes have been prepared by a reaction of mono NHC complexes of type RhCl(NHC-coumarin)(η<sup>2</sup>,η<sup>2</sup>-cod) with the corresponding azolium salt in the presence of an external base. Both synthetic procedures proceed selectively and allow the preparation of mixed bis-NHC rhodium complexes in good yields. Rhodium ; Carbene ; Chemistry ; Olefin fiber ; Steric effects ; Coumarin ; Medicinal chemistry ; Salt (chemistry) ; Catalysis ; Polymer chemistry ; Organic chemistry ; Stereochemistry N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Synthetic Organic Chemistry Methods
Authors: Sergey G. Arkhipov | Tatyana B. Bekker | A.A. Gaydamaka | Anna Y. Likhacheva | E. A. Losev | E.V. Boldyreva
Source: Journal of Applied Crystallography (article, 2022-10-01)
Field: Materials Science — Biomaterials

From geology to biology: an interdisciplinary course in crystal growth This contribution shares experience of teaching an interdisciplinary university course in crystal growth with examples ranging from geology to biology. This is an attempt to combine teaching the basics of the classical and non-classical theories of crystallization with impressive examples of crystals growing around us and in the human body, as well as demonstration of the common phenomena in the growth of minerals in nature, crystalline materials in industry and the laboratory, and biomimetic and stimulus-responsive crystals. Lectures are supported by laboratory exercises. Students can also perform an individual research project and present an oral contribution at a mini-conference. Examples of the topics considered in the course are given, and an extensive list of references to papers and web resources is provided, which may be useful to those who want to implement anything from the authors' experience. Mathematics education ; Course (navigation) ; Engineering physics ; Engineering ethics ; Chemistry ; Nanotechnology ; Engineering ; Physics ; Psychology ; Materials science ; Astronomy Calcium Carbonate Crystallization and Inhibition
Authors: Anyang Peng | Andrew Rosen | Randall Q. Snurr | Harold H. Kung
Source: The Journal of Physical Chemistry C (article, 2022-11-14)
Field: Materials Science — Materials Chemistry

Effect of Composition and Local Environment on CO<sub>2</sub> Adsorption on Nickel and Magnesium Oxide Solid Solutions CO2 adsorption energies on the (100) surfaces of a nickel oxide doped with Mg, magnesium oxide doped with Ni, and their 50:50 solid solution were calculated using density functional theory. The composition and atomic arrangement of the adsorption site were varied to understand how the local environment affects CO2 adsorption and the basicity of the surfaces at the atomic level. The dispersive and electronic contributions to the adsorption energies were quantified, and the results indicate that the variation of the adsorption energy with adsorption site configuration and metal composition is dominated by electronic interactions. Interestingly, for magnesium oxide doped with nickel, a single substitution can create stronger CO2 binding sites, which implies stronger basic sites, even though nickel oxide is less basic than magnesium oxide. The effect of double substitution at the binding site can be reasonably approximated by summing the effects of single substitutions. This work provides guidance for the preparation of metal oxides with tailored Lewis basicity. Magnesium ; Adsorption ; Nickel ; Oxide ; Inorganic chemistry ; Metal ; Nickel oxide ; Density functional theory ; Chemistry ; Binding energy ; Doping ; Physical chemistry ; Materials science ; Computational chemistry ; Organic chemistry ; Atomic physics Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Layered Double Hydroxides Synthesis and Applications