jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Dines Chandra Santra | Sanjoy Mondal | Banchhanidhi Prusti | Masayoshi Higuchi
Source: ACS Applied Optical Materials (article, 2024-05-21)
Field: Materials Science — Polymers and Plastics

Triple-Band Electrochromic Switching Among Visible (400–750 nm), NearIR-I (750–1000 nm), and NearIR-II (1000–1600 nm) Regions with Triple-Redox-Active Metallosupramolecular Polymers Selective electrochromic (EC) switching in the wide range from visible (VIS) to near-infrared (NIR) wavelengths was achieved using triple-redox-active metallosupramolecular polymers (MSPs), synthesized by 1:1 complexation of a transition metal salt and a bisterpyridine ligand containing a tetraphenylbenzidine (TPB) moiety. By tuning an oxidation potential in the range between 0 and 1.2 V vs Ag/Ag+, the MSPs (polyFeLTPB and polyRuLTPB) were capable of selective and reversible triple-band EC modulation in the visible (400–750 nm), NIR-I (750–1000 nm), and NIR-II (1000–1600 nm) regions. Interestingly, the polymers exhibited excellent EC properties with remarkably high optical contrast (98%), high coloration efficiency (CE) (851 cm2/C), and fast switching, even in the NIR region. A made-to-order quasi-semigel state EC device exhibited exceptionally long cycle stability (>7000 cycles) from the visible to the NIR region at an incredibly low operational voltage (1.2 V). These two ECDs demonstrated that a significant amount of solar irradiance (about 33–36%) shielding in the NIR band at 750–1670 nm while allowing 46–53% of VIS transparency under low voltage. At dark mode at 0.8 V, they exhibit 59–63% of VIS and 45–47% of NIR blocking. Under full oxidation, ECDs screen 51–60% VIS and 36–41% NIR while using very small electrical voltage (about 1.0–1.2 V). These findings signify a significant advancement in the design of large, scalable dual-band EC devices. Electrochromism ; Redox ; Electrochromic devices ; Materials science ; Polymer ; Optoelectronics ; Photochemistry ; Chemistry ; Electrode ; Physical chemistry Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Analytical Chemistry and Sensors
Authors: Taishi Oka | Takeshi Maeda | Daisuke Sakamaki | Naoya Suzuki | Shigeyuki Yagi | Shintaro Kodama | Hideki Fujiwara
Source: Organic Chemistry Frontiers (article, 2024-10-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Intermediate diradical character and thermal <i>cis</i>–<i>trans</i> isomerization of near-infrared absorbing thionated squaraine dyes Near-infrared absorbing squaraine dyes incorporating 4-membered thionated oxocarbon and chalcogenopyrylium moieties exhibit intermediate diradical character, which impacts thermal cis–trans isomerization. Diradical ; Chemistry ; Isomerization ; Photochemistry ; Character (mathematics) ; Infrared ; Thermal ; Organic chemistry ; Singlet state ; Optics ; Atomic physics ; Thermodynamics Nonlinear Optical Materials Research ; Porphyrin and Phthalocyanine Chemistry ; Molecular spectroscopy and chirality
Authors: Lasanga Amarasena | Rohan Weerasooriya | Athula Bandara | Lakmal Jayarathna
Source: Discover Atmosphere (article, 2024-09-10)
Field: Chemistry — Inorganic Chemistry

Exploring depletion of volatile organic compounds (VOCs) in the air using Faujasite zeolite catalysts from fundamental to advanced The emission of volatile organic compounds (VOCs) has resulted in various environmental hazards. Thus, developing technology that efficiently removes VOCs is necessary to mitigate the negative effects. Among several VOC elimination methods, zeolite catalyst usage in heterogeneous catalysis is a more popular and successful technique. Faujasite zeolite is a commonly used zeolite type in catalysis and VOC remediation as not only its high porosity with ion exchangeability but also can easily be synthesized in the laboratory using aluminosilicate precursors. This article aims to review VOC remediation studies mainly with FAU zeolite from fundamental to advanced. It has been observed in many publications that the zeolite synthesis parameters and their alterations directly affect the rate of VOC degradation. In this article, the catalytic oxidation method for removing VOCs in individual and mixtures from gas streams is briefly discussed with an emphasis on Faujasite zeolites and their characteristics. More than 140 papers were studied to build up this article. Although zeolites with larger pore sizes are more effective for removing VOCs, there are limited studies on the use of zeolite catalysts for cleaning up mixtures of VOCs. To enhance catalytic systems for industrial and environmental applications, advanced oxidation is being explored. More research is needed to modify zeolite's structure for a variety of VOCs to penetrate its inner surfaces and rapidly oxidize. Faujasite ; Zeolite ; Catalysis ; Volatile organic compound ; Chemistry ; Environmental chemistry ; Environmental science ; Chemical engineering ; Organic chemistry ; Engineering Zeolite Catalysis and Synthesis ; Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions
Authors: María Maciá | Iván Muñoz | Raúl Porcar | Francisco G. Cirujano | Belén Altava | Santiago V. Luis | Eduardo Garcı́a-Verdugo
Source: Advanced Synthesis & Catalysis (article, 2024-01-12)
Field: Chemistry — Inorganic Chemistry

Engineered Immobilised Organocatalysts for the Synthesis of Chiral Amines Abstract The art of tuning functional polymeric materials through the covalent incorporation of organocatalysts lies at the core of creating asymmetric immobilized chiral catalysts that mimic the enzymatic action. Herein, we explore diverse synthetic techniques to immobilize l ‐proline‐derived N ‐carbonyl amides on functional polymeric matrices, transforming them into chiral Lewis bases for facilitating the asymmetric reduction of ketimines with HSiCl 3 . A comprehensive examination of the design factors, encompassing linker selection, anions, and polymeric support characteristics, enables precise adjustment of steric and electronic features in these immobilized catalysts. This approach establishes structure‐performance relationships, ultimately enabling the development of an engineered immobilized organocatalytic system that meets the desired criteria for activity, stability, and selectivity. Chemistry ; Steric effects ; Combinatorial chemistry ; Organocatalysis ; Enantioselective synthesis ; Catalysis ; Covalent bond ; Linker ; Organic chemistry ; Nanotechnology ; Computer science Asymmetric Hydrogenation and Catalysis ; Chemical Synthesis and Analysis ; Synthetic Organic Chemistry Methods
Authors: Adelajda Shahu | Vasilis Petropoulos | Emmanuel Saridakis | Vyron S. Petrakis | Nikolaos Ioannidis | George Mitrikas | Andriana Schiza | Christos L. Chochos | Eleni-Marina Kasimati | Anastasia Soultati | Maria‐Christina Nika | Νikolaos S. Τhomaidis | Mihalis Fakis | Margherita Maiuri | Giulio Cerullo | George Pistolis
Source: Journal of the American Chemical Society (article, 2024-05-31)
Field: Materials Science — Materials Chemistry

Aggregation-Driven Photoinduced α-C(sp<sup>3</sup>)–H Bond Hydroxylation/C(sp<sup>3</sup>)–C(sp<sup>3</sup>) Coupling of Boron Dipyrromethene Dye in Water Reported by Near-Infrared Emission Molecular aggregation is a powerful tool for tuning advanced materials' photophysical and electronic properties. Here we present a novel potential for the aqueous-solvated aggregated state of boron dipyrromethene (BODIPY) to facilitate phototransformations otherwise achievable only under harsh chemical conditions. We show that the photoinduced symmetry-breaking charge separation state can itself initiate catalyst-free redox chemistry, leading to selective α-C(sp<sup>3</sup>)-H bond activation/C<sub>sp<sup>3</sup></sub>-C<sub>sp<sup>3</sup></sub> coupling on the BODIPY backbone. The photoproduction progress was tracked by monitoring the evolution of the strong Stokes-shifted near-infrared emission, resulting from selective self-assembly of the terminal heterodimeric photoproduct into well-ordered J-aggregates, as revealed by X-ray structural analysis. These findings provide a facile and green route to further explore the promising frontier of packing-triggered selective photoconversions via supramolecular engineering. Chemistry ; Boron ; Infrared ; Photochemistry ; Organic chemistry Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Covalent Organic Framework Applications
Authors: Hannes Preißler-Kurzhöfer | Marcus Lange | Jens Möllmer | Oliver Erhart | Merten Kobalz | Harald Krautscheid | Roger Gläser
Source: Nanomaterials (article, 2024-01-23)
Field: Chemistry — Inorganic Chemistry

Hydrocarbon Sorption in Flexible MOFs—Part III: Modulation of Gas Separation Mechanisms Single gas sorption experiments with the C4-hydrocarbons <i>n</i>-butane, <i>iso</i>-butane, 1-butene and <i>iso</i>-butene on the flexible MOFs <i>Cu-IHMe-pw</i> and <i>Cu-IHEt-pw</i> were carried out with both thermodynamic equilibrium and overall sorption kinetics. Subsequent static binary gas mixture experiments of <i>n</i>-butane and <i>iso</i>-butane unveil a complex dependence of the overall selectivity on sorption enthalpy, rate of structural transition as well as steric effects. A thermodynamic separation favoring <i>iso</i>-butane as well as kinetic separation favoring <i>n</i>-butane are possible within <i>Cu-IHMe-pw</i> while complete size exclusion of <i>iso</i>-butane is achieved in <i>Cu-IHEt-pw.</i> This proof-of-concept study shows that the structural flexibility offers additional levers for the precise modulation of the separation mechanisms for complex mixtures with similar chemical and physical properties with real selectivities of >10. Butane ; Sorption ; Enthalpy ; Selectivity ; Steric effects ; Hydrocarbon ; Gas separation ; Chemistry ; Thermodynamics ; Materials science ; Chemical engineering ; Physical chemistry ; Organic chemistry ; Catalysis ; Membrane ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Gas Sensing Nanomaterials and Sensors
Authors: Naoya Nozaki | Azalea Uva | Takashi Iwahashi | Hidetoshi Matsumoto | Helen Tran | Minoru Ashizawa
Source: RSC Applied Polymers (article, 2024-12-13)
Field: Materials Science — Polymers and Plastics

Impact of aromatic to quinoidal transformation on the degradation kinetics of imine-based semiconducting polymers Degradable semiconducting polymers featuring acid-labile imine bonds are often investigated for use in transient electronics. Imine ; Kinetics ; Degradation (telecommunications) ; Polymer ; Transformation (genetics) ; Chemical engineering ; Materials science ; Chemistry ; Photochemistry ; Polymer chemistry ; Organic chemistry ; Computer science ; Catalysis ; Physics ; Engineering Conducting polymers and applications ; Synthesis and properties of polymers ; Analytical Chemistry and Sensors
Authors: Maria Lykaki | Sofia Stefa | Georgios Varvoutis | Vassiliοs Binas | George E. Marnellos | Michalis Konsolakis
Source: Catalysts (article, 2024-09-11)
Field: Materials Science — Materials Chemistry

Comparative Assessment of First-Row 3d Transition Metals (Ti-Zn) Supported on CeO2 Nanorods for CO2 Hydrogenation Herein, motivated by the excellent redox properties of rod-shaped ceria (CeO2-NR), a series of TM/CeO2 catalysts, employing the first-row 3d transition metals (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) as active metal phases, were comparatively assessed under identical synthesis and reaction conditions to decipher the role of active metal in the CO2 hydrogenation process. Notably, a volcano-type dependence of CO2 hydrogenation activity/selectivity was disclosed as a function of metal entity revealing a maximum for the Ni-based sample. Ni/CeO2 is extremely active and fully selective to methane (YCH4 = 90.8% at 350 °C), followed by Co/CeO2 (YCH4 = 45.2%), whereas the rest of the metals present an inferior performance. No straightforward relationship was disclosed between the CO2 hydrogenation performance and the textural, structural, and redox properties, whereas, on the other hand, a volcano-shaped trend was established with the relative concentration of oxygen vacancies and partially reduced Ce3+ species. The observed trend is also perfectly aligned with the previously reported volcano-type dependence of atomic hydrogen adsorption energy and CO2 activation as a function of 3d-orbital electron number, revealing the key role of intrinsic electronic features of each metal in conjunction to metal–support interactions. Transition metal ; Catalysis ; Redox ; Metal ; Materials science ; Nanorod ; Inorganic chemistry ; Adsorption ; Hydrogen ; Selectivity ; Chemistry ; Physical chemistry ; Nanotechnology ; Metallurgy Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions
Authors: Surajit Samui | Greesh Kumar | Thakur Rochak Kumar Rana | Ramendra Sundar Dey
Source: Chemical Communications (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Electrochemical oxygen activation driven by enamine-keto push–pull interactions in triazole-based covalent organic polymers We have developed two triazole-based covalent organic polymers (COPs) with donor-acceptor motifs. The keto-enriched COP demonstrated exceptional oxygen activation <i>via</i> electrochemical stimuli, driven by strong push-pull interactions. <i>In situ</i> studies and DFT calculations confirmed the critical role of enamine carbon positive charges in enhancing performance, setting new benchmarks in COP design. Enamine ; Electrochemistry ; Covalent bond ; Polymer ; Chemistry ; Triazole ; Oxygen ; Combinatorial chemistry ; Photochemistry ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Electrode ; Catalysis ; Physical chemistry Covalent Organic Framework Applications ; Conducting polymers and applications ; Fuel Cells and Related Materials
Authors: Subhaprad Ash | Rishi Sharma | Muhammad Rabnawaz
Source: Industrial & Engineering Chemistry Research (article, 2024-12-13)
Field: Materials Science — Polymers and Plastics

Comparative Study of Polyethylene, Polypropylene, and Polyolefins Silyl Ether-Based Vitrimers Polyolefins (POs), which constitute over 50% of all plastics, predominantly end up in landfills. To date, there have been no reports on mixtures of PO vitrimers. This study reports the successful synthesis of PO vitrimers from a mixture of 27.7% high-density polyethylene (HDPE), 36.3% linear low-density polyethylene (LLDPE)/low-density polyethylene (LDPE), and 36.0% polypropylene (PP), which is similar to that of Municipal Solid Waste (MSW). This is achieved by using silyl ether-based chemistry, both with and without nitroxides. Additionally, these PO vitrimers are compared with individual vitrimers made of HDPE, LDPE, LLDPE, and PP, as well as vitrimers made from PE blends (comprising HDPE, LLDPE, and LDPE). All vitrimers were prepared via melt extrusion. Their cross-linking density, storage modulus, tensile properties, and reprocessability were assessed. For PO vitrimers, a storage modulus of 0.61 MPa was achieved, indicating a cross-linked network while also maintaining complete melt reprocessability. This study not only provides fundamental insights but also presents a sustainable pathway for recycling PEs and POs into useful materials, hence helping to minimize waste. Linear low-density polyethylene ; Low-density polyethylene ; High-density polyethylene ; Polyethylene ; Polypropylene ; Materials science ; Ultimate tensile strength ; Composite material ; Polymer chemistry Polymer composites and self-healing ; biodegradable polymer synthesis and properties ; Polymer Nanocomposites and Properties
Authors: Min Cao | Zehua Wang | Fangao Hou | Xiaoyuan Liu | Shutao Sun | Xinning Wang | Lei Liu
Source: JACS Au (article, 2024-05-14)
Field: Chemistry — Inorganic Chemistry

Catalytic Asymmetric Access to Structurally Diverse <i>N</i>-Alkoxy Amines via a Kinetic Resolution Strategy Chiral <i>N</i>-alkoxy amines are increasingly vital substrates in bioscience. However, asymmetric synthetic strategies for these compounds remain scarce. Catalytic kinetic resolution represents an attractive approach to prepare structurally diverse enantiopure <i>N</i>-alkoxy amines, which has remained elusive due to the notably reduced nucleophilicity of the nitrogen atom together with the low bond dissociation energies of labile NO-C and N-O bonds. We here report a general kinetic resolution of <i>N</i>-alkoxy amines through chemo- and enantioselective oxygenation. The mild and green titanium-catalyzed approach features broad substrate scope (55 examples), noteworthy functional group compatibility, high catalyst turnover number (up to 5200), excellent selectivity factor (<i>s</i> > 150), and scalability. Alkoxy group ; Kinetic resolution ; Enantiopure drug ; Nucleophile ; Enantioselective synthesis ; Catalysis ; Chemistry ; Combinatorial chemistry ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Asymmetric Synthesis and Catalysis ; Synthesis and Catalytic Reactions
Authors: Ahmed I. Osman | Ali Ayati | Mahmoud Farrokhi | Sara Khadempir | Amin Reza Rajabzadeh | Mohamed Farghali | Pavel V. Krivoshapkin | Bahareh Tanhaei | David W. Rooney | Pow‐Seng Yap
Source: SSRN Electronic Journal (preprint, 2024-01-01)
Field: Materials Science — Materials Chemistry

Innovations in Hydrogen Storage Materials: Synthesis, Applications, and Prospects Hydrogen storage ; Nanotechnology ; Hydrogen ; Computer science ; Biochemical engineering ; Materials science ; Chemistry ; Engineering ; Organic chemistry Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems
Authors: Catarina Fernandes | Vasileios Loukopoulos | Jorid Smets | Filippo Franceschini | Olivier Deschaume | Carmen Bartic | Rob Ameloot | Jon Ustarroz | Irene Taurino
Source: Advanced Materials Technologies (article, 2024-03-26)
Field: Materials Science — Polymers and Plastics

Unraveling the Potential of a Nanostructured Tungsten–Tungsten Oxide Thin Film Electrode as a Bioresorbable Multichemical Wound Healing Monitor Abstract Recent advancements in wearable technology have led to a new era of intelligent wound dressings capable of monitoring vital healing biomarkers. While a significant leap from traditional gauze dressings, these innovations still necessitate periodic removal and disposal. Bioresorbable electrochemical sensors have emerged as a promising and sustainable solution, offering continuous monitoring of critical wound healing biomarkers in real‐time and in situ, followed by their full physiological resorption. The current challenge lies in the susceptibility of metallic electrodes to harsh electrolytic biofluids, hindering the development of viable transient electrochemical sensors. This study pioneers a bioresorbable electrochemical material and unique architecture comprising engineered sputtered tungsten (W) plus tungsten oxide (WO x ) thin films, taking advantage of their high catalytic activity and uniquely gradual biodissolution. While a bare W film electrode detached from the wafer substrate within 5 hours of soaking, an annealed W‐WO x electrode showcases a notable electrochemical stability at body temperature, for up to several days. The latter reliably senses multiple analytes during 24‐hour room‐temperature tests. These findings underscore the potential of annealed W plus WO x electrodes in future bioresorbable wound management systems. Materials science ; Electrode ; Nanotechnology ; Tungsten ; Biomedical engineering ; Thin film ; Wearable computer ; Optoelectronics ; Computer science ; Metallurgy ; Medicine ; Chemistry ; Embedded system Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Corrosion Behavior and Inhibition
Authors: Beenish Bashir | Maha M. Alotaibi | Andre Z. Clayborne
Source: The Journal of Chemical Physics (article, 2024-04-02)
Field: Materials Science — Materials Chemistry

Computational investigation of structural, electronic, and spectroscopic properties of Ni and Zn metalloporphyrins with varying anchoring groups Porphyrins are prime candidates for a host of molecular electronics applications. Understanding the electronic structure and the role of anchoring groups on porphyrins is a prerequisite for researchers to comprehend their role in molecular devices at the molecular junction interface. Here, we use the density functional theory approach to investigate the influence of anchoring groups on Ni and Zn diphenylporphyrin molecules. The changes in geometry, electronic structure, and electronic descriptors were evaluated. There are minimal changes observed in geometry when changing the metal from Ni to Zn and the anchoring group. However, we find that the distribution of electron density changes when changing the anchoring group in the highest occupied and lowest unoccupied molecular orbitals. This has a direct effect on electronic descriptors such as global hardness, softness, and electrophilicity. Additionally, the optical spectra of both Ni and Zn diphenylporphyrin molecules exhibit either blue or red shifts when changing the anchoring group. These results indicate the importance of the anchoring group on the electronic structure and optical properties of porphyrin molecules. Anchoring ; Density functional theory ; Molecule ; Electronic structure ; Molecular orbital ; Molecular electronics ; Materials science ; Porphyrin ; Chemical physics ; Chemistry ; Crystallography ; Computational chemistry ; Photochemistry Porphyrin and Phthalocyanine Chemistry ; Molecular Junctions and Nanostructures ; Electrocatalysts for Energy Conversion
Authors: Yasuaki Tokudome | Akiko Obata | Nijika Kitagawa | Katsumi Nagatsuka | Eisuke Gorai | Y Maehashi | Yojiro Kishida | Hidenobu Murata | Atsushi Nakahira | Toshihiro Kasuga
Source: Materials Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Synthesis of 20-nm-sized CoAl-LDH nanoparticles modified with folic acid for enhanced cancer cell targeting Exceptionally small CoAl LDH nanoparticles modified with folic acid are demonstrated to function as a bio-related material. Folic acid ; Nanoparticle ; Coal ; Cancer cell ; Nanotechnology ; Cancer ; Function (biology) ; Chemistry ; Materials science ; Cancer research ; Medicine ; Cell biology ; Internal medicine ; Biology ; Organic chemistry Layered Double Hydroxides Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Nanomaterials for catalytic reactions
Authors: Yamei Gao | Shaohu Huo | Chao Chen | Shiyu Du | Ruiyuan Xia | Jian Liu | Dandan Chen | Ziyue Diao | Xin Han | Zhiqiang Yin
Source: Journal of Biomedical Research (article, 2024-09-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Gold nanorods as biocompatible nano-agents for the enhanced photothermal therapy in skin disorders Rod-shaped gold nanomaterials, known as gold nanorods (GNRs), may undergo specific surface modification, because of their straightforward surface chemistry. This feature makes them appropriate for use as functional and biocompatible nano-formulations. By optimizing the absorption of longitudinally localized surface plasmon resonance in the near-infrared region, which corresponds to the near-infrared bio-tissue window, GNRs with appropriate modifications may improve the results of photothermal treatment (PTT). In dermatology, potential noninvasive uses of GNRs to enhance wound healing, manage infections, combat cutaneous malignancies, and remodel skin tissues <i>via</i> PTT have attracted research attention in recent years. The review discussed the basic properties of GNRs, such as their shape, size, optical performance, photothermal efficiency, and metabolism. Then, the disadvantages of using these particles in photodynamic therapy are highlighted. Next, biological applications of GNRs-based PTT are explored in detail. Finally, the limitations and future perspectives of this research are addressed, providing a comprehensive perspective on the potential GNRs with PTT. Photothermal therapy ; Nanorod ; Biocompatible material ; Nano- ; Nanotechnology ; Materials science ; Medicine ; Biomedical engineering ; Composite material Gold and Silver Nanoparticles Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Photoacoustic and Ultrasonic Imaging