jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Chandra Wulandari | Gilang Gumilar | Nugraha Nugraha | Hutomo Suryo Wasisto | Muhammad Iqbal | Irzaman Irzaman | Widagdo Sri Nugroho | Febdian Rusydi
Source: Journal of Physics Conference Series (article, 2024-02-01)
Field: Chemistry — Inorganic Chemistry

Preparation and properties of bimetallic Co/Cu ZIF-67 for electrochemical application Abstract Efforts to enhance the electrochemical properties of materials have become the focus of numerous studies because these properties are essential in various fields of application. Zeolitic imidazole framework-67 (ZIF-67) is a type of metal-organic framework (MOFs) expected to demonstrate excellent performance in electrochemical applications due to its numerous distinct properties. Consequently, various strategies and techniques have been developed to improve the electrochemical performance of ZIF-67. In this study, we employed bimetallic ZIF-67 constructed with cobalt (Co) and copper (Cu) metal ions within the imidazole frameworks. The use of bimetal is expected to increase conductivity and fine-tune the physicochemical properties of ZIF-67. Using coprecipitation methods, we synthesized both single-metal and bimetallic ZIF-67 and compared their characterizations. The addition of Cu metal ions does not alter the materials phase, ensuring compatibility with the single-metal ZIF-67 structure. However, the rhombic dodecahedron morphology of ZIF-67 shifts from a smooth to a concave and rough surface in Co/Cu ZIF-67. Furthermore, Co/Cu ZIF-67 exhibits higher peak current on their cyclic voltammetry (CV) curve by 46.15 µA. The results effectively illustrate the advantages of bimetal on ZIF-67 properties and performance. Finally, this study succesfully briefly demonstrate the potential development of Co/Cu-based ZIF-67 for various electrochemical applications. Bimetallic strip ; Electrochemistry ; Materials science ; Chemical engineering ; Metallurgy ; Chemistry ; Metal ; Electrode ; Physical chemistry ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Fuel Cells and Related Materials ; Gas Sensing Nanomaterials and Sensors
Authors: Florian Gillissen | Michaël Lobet | Jennifer Dewalque | Pierre Colson | Gilles Spronck | R. Gouttebaron | Mathieu Duttine | Brandon Faceira | Aline Rougier | Luc Henrard | Rudi Cloots | Anthony Maho
Source: ChemRxiv (preprint, 2024-07-16)
Field: Materials Science — Polymers and Plastics

Mixed Molybdenum-Tungsten Oxide as Dual-Band, VIS-NIR Selective Electrochromic Material Energy efficiency of smart windows can be greatly improved by integrating dual-band electrochromic materials based on nanostructured doped metal oxides, as these will allow for a dynamic and independent control of light and heat supplies in buildings respectively related to transmitted visible (VIS) and near-infrared (NIR) solar radiations. Mixed molybdenum – tungsten oxides MoyW1-yO3-δ “MoWOx” are considered as innovative compounds in this context: in comparison with parent WO3-δ formulations, a remarkable increase of unpaired electrons can be obtained from the formation of a larger amount of both reduced species and oxygen vacancies during the synthetic process of MoWOx materials, with a consequently boosted intensity of light absorption by 850-900 nm wavelengths. Consecutively, spin-coated films obtained from MoWOx structures solvothermally synthesized for 1h from 2/1 Mo/W atomic ratios are shown to be electrochromically commutable through a noticeable VIS-darkened and NIR-transparent warm mode, while WO3-δ benchmarks classically evolve between bright (VIS & NIR bleached), cool (VIS-bleached, NIR-opaque) and dark (VIS & NIR opaque) states. All in all, such advanced optical functionalities are of high interest for fine-tuning the selectivity and improving the efficiency of electrochromic fenestration solutions, further improving their capacity to adapt to different climates, seasons, and users preferences. Electrochromism ; Materials science ; Opacity ; Tungsten ; Molybdenum ; Optoelectronics ; Context (archaeology) ; Visible spectrum ; Near-infrared spectroscopy ; Absorption (acoustics) ; Oxide ; Nanotechnology ; Optics ; Chemistry ; Electrode ; Composite material ; Metallurgy Transition Metal Oxide Nanomaterials ; Gas Sensing Nanomaterials and Sensors ; Pigment Synthesis and Properties
Authors: Takumi Ichikawa | Kazuya Terasaka | Akira Sasaki | Atsushi Nakajima
Source: The Journal of Physical Chemistry Letters (article, 2024-11-14)
Field: Materials Science — Materials Chemistry

Tailoring Superatomic Stability with Transition Metals in Silicon Cages: Shrinking to M@Si<sub>15</sub> (M = Re, Os, Ir) The design of materials with intriguing electronic properties is crucial for advancing nanoscale technologies, where precise control over atomic structure and electronic behavior is essential. Metal-encapsulating silicon cage superatoms (SAs) provide a new paradigm for molecular-scale material design, allowing fine-tuning of both structure and electronic characteristics. The formation of superatoms mimicking halogens, noble gases, and alkali metals has been well-studied, particularly with M@Si<sub>16</sub>, where early transition metals from groups 3 to 5 stabilize within a Si<sub>16</sub> cage, achieving a 68-electron configuration. For late transition metals with excess electrons, a Si<sub>15</sub> cage offers enhanced stability by fulfilling the 68-electron rule with one fewer Si atom. This research synthesizes Si<sub>15</sub> cage-SAs with rhenium (Re) from group 7 and iridium (Ir) from group 9 on <i>p</i>-type and <i>n</i>-type organic substrates. The stability of Re@Si<sub>15</sub> and Ir@Si<sub>15</sub> is evaluated via oxidative reactivity with X-ray photoelectron spectroscopy and theoretical calculations, including osmium (Os) from group 8. Re@Si<sub>15</sub><sup>-</sup>, Os@Si<sub>15</sub><sup>0</sup>, and Ir@Si<sub>15</sub><sup>+</sup> exhibit superatomic behaviors similar to halogens, noble gases, and alkali metals due to the 68-electron shell closure. Among them, Re@Si<sub>15</sub><sup>-</sup> on <i>p</i>-type organic substrates shows superior electronic and geometric properties. These findings advance our understanding of M@Si<sub><i>n</i></sub> systems for transition metals, addressing longstanding questions about their properties at <i>n</i> = 15 and 16. Silicon ; Materials science ; Transition metal ; Engineering physics ; Crystallography ; Metallurgy ; Physics ; Chemistry Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Molecular Junctions and Nanostructures
Authors: Monika Lamoria | Debashree Manna | Marilyn Daisy Milton
Source: Journal of Molecular Structure (article, 2024-07-21)
Field: Materials Science — Materials Chemistry

AIE active blue light emitting pyridine functionalized quinoxaline and pyridopyrazine derivatives exhibiting reversible acidofluorochromism and thermal sensitivity Chemistry ; Quinoxaline ; Pyridine ; Blue light ; Sensitivity (control systems) ; Photochemistry ; Thermal ; Polymer chemistry ; Combinatorial chemistry ; Organic chemistry ; Optoelectronics Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Fluorine in Organic Chemistry
Authors: Balaji Ganapathy | Vivek Redasani | Subhas Chandra Debnath | Neha Gupta | Ankur A. Kadam | Fei Wang | Pravin K. Narwankar
Source: Journal of Pharmaceutical Sciences (article, 2024-11-01)
Field: Materials Science — Surfaces, Coatings and Films

Bioavailability improvement by atomic layer coating: Fenofibrate a case study Fenofibrate ; Bioavailability ; Coating ; Layer (electronics) ; Chemistry ; Chemical engineering ; Pharmacology ; Medicine ; Organic chemistry ; Engineering Polymer Surface Interaction Studies ; Drug Solubulity and Delivery Systems ; Nanofabrication and Lithography Techniques
Authors: Gong Xianxian | Duan Zhi-wei | Wan Ming | Zhihong Liu | Junlei Tang | Xiong Bijin | Wang Yingying
Source: Applied Surface Science (article, 2024-02-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmon-enhanced electrocatalysis in large-scale tunable 2D gold nanoparticle arrays Surface plasmon resonance ; Electrocatalyst ; Nanotechnology ; Materials science ; Nanomaterials ; Catalysis ; Nanoparticle ; Plasmon ; Etching (microfabrication) ; Colloidal gold ; Nanosphere lithography ; Optoelectronics ; Electrochemistry ; Chemistry ; Electrode ; Layer (electronics) ; Fabrication Gold and Silver Nanoparticles Synthesis and Applications ; Molecular Junctions and Nanostructures ; Electrochemical Analysis and Applications
Authors: Changying Wang | Xue Hai | Hao Wang | Yongshun Song | Zhilong Wan | Yuqi Yang | Ping Huai | Yaru Yin
Source: The Journal of Physical Chemistry C (article, 2024-06-14)
Field: Materials Science — Materials Chemistry

Synergetic Effects of Strain Engineering and Carbon Vacancy Modification on Ti<i><sub><b>n</b></sub></i><sub><b>+1</b></sub>C<i><sub><b>n</b></sub></i>O<sub>2</sub> MXene for Promising Catalytic Activity of Hydrogen Evolution Reaction Developing efficient and low-cost catalysts is crucial to hydrogen generation through water electrolysis. Oxygen-functionalized titanium carbide MXene holds tremendous potential in catalyzing the hydrogen evolution reaction (HER). However, appropriate modulation approaches aiming at optimizing the HER performance of these MXenes have not been systematically investigated. In this work, density functional theory was employed to screen the optimal HER operating conditions of Tin+1CnO2 (n = 1–3) by introducing carbon (C) vacancy modification coupled with strain engineering. Terminal oxygen atoms of pristine Ti2CO2 are identified as excellent reactive sites at relatively low hydrogen coverage, while those of Ti3C2O2 and Ti4C3O2 can reach an ideal catalytic state at high hydrogen coverage. An effective fine-tuning of reactive sites on these pristine MXenes can be achieved by exerting a biaxial strain. Besides, C vacancy can breed its nearest neighbor O atoms as active sites for Ti3C2O2 and Ti4C3O2, and their intrinsically excessive hydrogen adsorption would be weakened with the Gibbs free energies regulated extremely close to 0 eV. Detailed analyses indicate that more electrons are transferred to O atoms adjacent to the introduced C vacancy with the O-2p band center downshifting toward lower energy, thus weakening MXenes’ capability in capturing hydrogen. Taken together, by collaborating biaxial strain with a C vacancy, Ti3C2O2 and Ti4C3O2 can perform with more outstanding reactive sites at a wider hydrogen coverage, while Ti2CO2 can perform only at low coverage. Our theoretical results point out reasonable regulation strategies for the desirable HER catalytic performance of Tin+1CnO2. MXenes ; Vacancy defect ; Materials science ; Hydrogen ; Hydrogen production ; Tin ; Nanotechnology ; Crystallography ; Chemistry ; Metallurgy MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques ; Advanced Memory and Neural Computing
Authors: José C. J. M. D. S. Menezes | Vinícius R. Campos
Source: Compounds (article, 2024-12-04)
Field: Chemistry — Organic Chemistry

Bench to Any Side—The Pharmacology and Applications of Natural and Synthetic Alkylated Hydroxy Cinnamates and Cinnamides Natural alkylated hydroxy cinnamates (AHCs) isolated from medicinal plants and the thereby designed and synthesized cinnamides are derivatives of hydroxy cinnamic acids such as p-coumaric, sinapic, ferulic, and caffeic acids, which are naturally derived from human dietary sources. The pharmacological properties displayed by AHCs based on their inherent structure range include antioxidant, antimicrobial, antiplasmodial, anti-tyrosinase, Alzheimer’s and Parkinson’s disease therapy, anticancer therapy, metabolic disease therapy, and biopesticides, which have not been reviewed together. Based on their inherent antioxidant, antimicrobial, and UV absorption and their structure–activity relationships, these cinnamyl esters and amides can be used for food preservation in emulsions and oils, as sun-protective components of skin care formulations, and in many other multifunctional applications. In conclusion, the fine-tuning of the structural features such as the type of hydroxy cinnamic acid used, the length of alkyl chains for variable lipophilicity, conversion from cinnamic to propanoic for antioxidants, the increase in methoxy or the change to amino groups to increase the molar absorption coefficient and loss of absorption values, the substitution by halides or amino groups for potent biopesticides, and conversion from esters to amide bonds leads to different AHCs for biomedical, cosmetic, and agriculture applications as an emerging field of investigation that can overall provide natural, safe, biodegradable, and sustainable molecules. Cinnamates ; Alkylation ; Chemistry ; Natural (archaeology) ; Pharmacology ; Medicine ; Biology ; Organic chemistry Free Radicals and Antioxidants ; Genomics, phytochemicals, and oxidative stress ; Bioactive Compounds and Antitumor Agents
Authors: Li-An Wu | Kai-Ting Hsieh | C. Michael Lin | Yuh‐Lin Wang | Yih‐Fan Chen
Source: Microfluidics and Nanofluidics (article, 2024-07-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

SERS-active core-satellite nanostructures in a membrane filter-integrated microfluidic device for sensitive and continuous detection of trace molecules Abstract We developed a surface-enhanced Raman scattering (SERS)-active plasmonic core-satellite nanostructure and incorporated it into a membrane filter-integrated microfluidic device for continuous monitoring of molecules in solution. The core-satellite nanostructures were fabricated by immobilizing a high number density of gold nanoparticles (AuNPs) on silica beads.to create many nanogaps among the AuNPs. The sizes of the nanogaps were fine-tuned by adding a silver (Ag) shell to optimize the SERS activity. In addition, citrate molecule, the capping agent of the nanoparticles, was displaced by alkali halides. The displacement not only reduced the SERS signals of citrate but also enhanced the adsorption of target molecules. The alkali halide-treated core-satellite nanostructures were accumulated onto a membrane filter integrated into a microfluidic device, serving as a uniform and sensitive SERS substrate. By increasing the volume of the sample solution flowing through the membrane filter, we increased the number of molecules adsorbed to the nanostructures, amplifying the intensities of their characteristic Raman peaks. Our microfluidic SERS device demonstrated continuous SERS detection of malachite green at a concentration as low as 500 fM. In summary, while various core-satellite nanostructures and microfluidic SERS devices have been reported, the integration of the membrane filter-containing microfluidic device with the core-satellite nanostructures facilitated sensitive and continuous molecule detection in our study. Microfluidics ; Materials science ; Nanotechnology ; Nanostructure ; Membrane ; Nanoparticle ; Raman scattering ; Raman spectroscopy ; Chemistry ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: Meysam Soleymani Najafabadi | Amir Shakerian | Zohreh Mashak | Ebrahim Rahimi
Source: Journal of Food Biochemistry (article, 2024-01-01)
Field: Materials Science — Biomaterials

Production of Smart Packaging Chitosan Films Utilizing <i>Malva sylvestris</i> Mucilage and <i>Rubia tinctorum</i> Extract for Enhancing Fish Freshness and Prolonging Shelf Life In the dynamic landscape of food technology, where ensuring freshness and extending shelf life are paramount concerns, active packaging stands at the forefront of innovation. This study explores the utilization of natural resources in the development of smart packaging solutions aimed at enhancing the freshness of perishable foods. Specifically, chitosan films incorporating Malva sylvestris mucilage and Rubia tinctorum extract are investigated for their efficacy in preserving the quality of fish products. Through a series of experiments and analyses, this research elucidates the potential of these bio‐based materials to revolutionize packaging practices, offering a sustainable and effective means of prolonging the shelf life of perishable goods while maintaining their quality and safety. Assessment of the antimicrobial properties of Rubia tinctorum hydroethanolic extract revealed that Staphylococcus aureus displayed higher susceptibility to this extract with the lowest MIC value (2.60 ± 0.09 mg/ml) and MBC value (5.20 ± 0.09 mg/ml) as well as the highest inhibition zone (16.33 ± 0.50 mm). For the composites with different concentrations of hydroethanolic Rubia tinctorum extracts, the lightness value significantly ( p &lt; 0.05) increased at neutral pH. After days of storage, the pH in the fish sample surpassed the threshold (7), leading to a corresponding change in the indicator film’s color. Also, samples coated with higher levels of Rubia tinctorum extract in active/smart chitosan films with Malva sylvestris mucilage had lower pH, thiobarbituric acid, total volatile nitrogen, and microbial population (mesophile, psychrophile, and Enterobacteriaceae ). The highest appearance score, surface glaze score, and overall odor acceptance in samples 4 (fish coated with active/smart chitosan with Malva sylvestris containing 0.6% Rubia tinctorum extract) and 5 (fish coated with active/smart chitosan with Malva sylvestris contained 1.2% Rubia tinctorum extract) ( p ≤ 0.05) suggest that this application may contribute to the observed perceptual qualities. This novel indicator film has the potential to function as intelligent packaging for monitoring fish freshness. Additional research can delve into the precise mechanisms driving these effects and fine‐tune the formulation for particular applications. Mucilage ; Shelf life ; Chitosan ; Fish <Actinopterygii> ; Chemistry ; Food science ; Botany ; Biology ; Fishery ; Organic chemistry Nanocomposite Films for Food Packaging ; Pineapple and bromelain studies ; Herbal Medicine and Trade Cooperation
Authors: Md. Khairul Amin | Chunchun Ye | Shuhua Pang | Yuancheng Liu | Dominic Taylor | Gary S. Nichol | Neil B. McKeown
Source: Chemical Science (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry Triptycene derivatives are used extensively in supramolecular and materials chemistry, however, most are prepared using a multi-step synthesis involving the generation of a benzyne intermediate, which hinders production on a large scale. Inspired by the ease of the synthesis of resorcinarenes, we report the rapid and efficient preparation of triptycene-like 1,6,2',7'-tetrahydroxynaphthopleiadene directly from 2,7-dihydroxynaphthalene and phthalaldehyde. Structural characterisation confirms the novel bridged bicyclic framework, within which the planes of the single benzene ring and two naphthalene units are fixed at an angle of ∼120° relative to each other. Other combinations of aromatic 1,2-dialdehydes and 2,7-disubstituted naphthalenes also provided similar triptycene-like products. The low cost of the precursors and undemanding reaction conditions allow for rapid multigram synthesis of 1,6,2',7'-tetrahydroxynaphthopleiadene, which is shown to be a useful precursor for making the parent naphthopleiadene hydrocarbon. The great potential for the use of the naphthopleiadene scaffold in supramolecular and polymer chemistry is demonstrated by the preparation of a rigid novel cavitand, a microporous network polymer, and a solution-processable polymer of intrinsic microporosity. Triptycene ; Supramolecular chemistry ; Aryne ; Microporous material ; Chemistry ; Combinatorial chemistry ; Naphthalene ; Polymer chemistry ; Organic chemistry ; Crystal structure Supramolecular Chemistry and Complexes ; Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications
Authors: Cong-Huan Wang | Yohei Adachi | Joji Ohshita
Source: Molecules (article, 2024-06-05)
Field: Materials Science — Polymers and Plastics

Synthesis of Unsymmetrically Condensed Benzo- and Thienotriazologermoles Germoles and siloles unsymmetrically condensed with heteroaromatic units are attracting much interest. In this study, compounds containing a triazologermole core unit condensed with a benzene or thiophene ring were prepared. Thienotriazologermole was subjected to bromination to obtain the bromide, which underwent transformation via the palladium-catalyzed Stille coupling reaction to form triphenylamine-substituted thienotriazolegermole, with an effective extension of conjugation. The electronic states and properties of these triazologermole derivatives are discussed on the basis of optical and electrochemical measurements and density functional theory calculations. Triphenylamine-substituted thienotriazolegermole showed clear solvatochromic properties in photoluminescence measurements, suggesting that intramolecular charge transfer occurs at the photo-excited state. This clearly indicates that the triazologermole unit is useful as an acceptor of donor-acceptor compounds. The potential application of triphenylamine-substituted thienotriazolegermole as a sensing material was also explored. Triphenylamine ; Solvatochromism ; Stille reaction ; Intramolecular force ; Photochemistry ; Acceptor ; Thiophene ; Chemistry ; Excited state ; Thiazole ; Density functional theory ; Materials science ; Computational chemistry ; Catalysis ; Organic chemistry ; Molecule Conducting polymers and applications ; Photochromic and Fluorescence Chemistry ; Organic Light-Emitting Diodes Research
Authors: Bing Lu | Shanjun Mao | Zhe Wang | Yong Wang
Source: Fundamental Research (article, 2024-09-06)
Field: Materials Science — Materials Chemistry

Refinement of selective hydrogenation catalysts guided by the concept of ‘group recognition’ Selective hydrogenation is crucial in the production of high-value chemicals, yet its efficient implementation remains challenging due to the absence of clear catalyst regulation strategies and in-depth insights into catalytic mechanisms. This paper discusses several feasible solutions for achieving efficient selective hydrogenation by adjusting the fine structure of catalysts drawing from our successful examples in recent work. Building upon a deep understanding of the fundamental principles of heterogeneous catalysis, structure-performance relations, and insights gleaned from our previous achievements, we identify 'group recognition' as the central mechanism for achieving efficient selective hydrogenation. Our catalyst design strategies revolve around three key aspects: adjusting geometric structure, controlling electronic structure, and regulating the local domain of active sites. Furthermore, we present the latest advancements in decoupling the geometric and electronic effects, addressing the longstanding challenge of disentangling these intertwined factors. It is our conviction that this paper offers valuable experience and innovative ideas for realizing efficient selective hydrogenation. Group (periodic table) ; Catalysis ; Catalytic hydrogenation ; Combinatorial chemistry ; Chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Hydrodesulfurization Studies ; Nanomaterials for catalytic reactions