jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yuhui Song | Xiaomin Zhang | Lijian Ning | Qian Zhou | Jun Feng | Yanli Wang | Qiuyu Gong | Yinjuan Huang
Source: Moore and More (article, 2024-12-23)
Field: Chemistry — Organic Chemistry

Smart organic crystalline materials based on photo-induced topochemistry Abstract Presponsive smart organic crystalline materials (SOCMs) have emerged as an attractive research topic because of their many advantages, such as well-defined structures, high structural order, and the resulting fast response speeds, as well as high energy conversion efficiency and remarkable dynamic optical/electronic changes or mechanical responses. In this review, we discuss the recent developments in SOCMs based on topochemistry beyond coordination compounds, which include [2 + 2] or [4 + 4] photocycloaddition of anthracene and olefin derivatives as well as 1, 4-addition-polymerization of diacetylenes. The detailed design principles and mechanisms associated with smart behavior, photoresponsive physical and chemical properties (i.e., photochromism, photo fluorochromism, and photodeformation), and structure–property relationships are discussed, along with their advanced applications in exciting fields such as intelligent microrobots, encryption, sensors, photoactuators, data storage, and displays. Finally, we summarize the current developments and discuss the major current challenges and future opportunities in this field. We expect that this review will inspire more innovative research into the development of advanced photoresponsive organic smart crystal materials with fast, accurate, and reversible responses, and promote the further development of smart materials and devices. Materials science ; Computer science Polydiacetylene-based materials and applications ; Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials
Authors: Antoine Moreau | Camille Bernard
Source: Journal of Research in Chemistry (article, 2024-07-01)
Field: Chemistry — Organic Chemistry

Formulating enantioselective palladium-catalyzed cross-coupling protocols for biaryl synthesis using Loire Valley grape pomace derived ligands A winemaker's waste might be an organic chemist's treasure. This research extracted polyphenolic compounds from Loire Valley Cabernet Franc grape pomace and converted them into three chiral phosphine ligands (GP-Ligand A, B, and C) for palladium-catalyzed asymmetric Suzuki-Miyaura cross-coupling reactions to produce axially chiral biaryl compounds. GP-Ligand A delivered the highest enantiomeric excess (82.1% ee) for the coupling of 1-bromo-2-naphthol with 2-methoxyphenylboronic acid at 100 °C in toluene/water (3:1) with Pd(OAc)₂. Optimization of temperature, solvent, base, and Pd/ligand ratio improved ee to 87.4% under the best conditions. The grape pomace-derived ligands showed comparable performance to commercial BINAP for the same substrate pairs while offering a renewable, low-cost starting material. Substrate scope testing across 12 biaryl targets gave ee values of 54-87% and yields of 61-94%. Pomace ; Enantioselective synthesis ; Substrate (aquarium) ; Enantiomeric excess ; Yield (engineering) ; Phosphine ; Enantiomer Axial and Atropisomeric Chirality Synthesis ; Catalytic Cross-Coupling Reactions ; Asymmetric Synthesis and Catalysis
Authors: Arthur Sander | Maximilian Seydi Kilic | Jules Brehme | Kevin Tran | Christoph Wesemann | Franz Renz
Source: European Journal of Inorganic Chemistry (article, 2024-12-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Influence of the Halogen Anion Combination on the Spin Crossover Properties of Iron(II) Triazole Complexes Abstract In this paper we study a series of solid iron(II)‐triazole spin crossover complexes of the formula [Fe(NH 2 trz) 3 ]Br 2(x−1) Cl 2x , where the counterions bromide and chloride are present in the same structure in different ratios. Thus, the spin transition temperature also changes in the temperature range between the pure complexes [Fe(NH 2 trz) 3 ]Br 2 and [Fe(NH 2 trz) 3 ]Cl 2 . Since these switching temperatures of the pure complexes are rather far apart, this allows us to examine how the SCO behavior of iron(II) triazole complexes with mixed counterions changes with different ratios. To achieve this, the complexes were synthesized with both counterions simultaneously using the salts FeBr 2 and FeCl 2 ⋅ 4 H 2 O. The complexes were analyzed by IR and XRD measurements to confirm a successful synthesis. Energy dispersive X‐ray spectroscopy (EDX) was further used to validate the results and to verify a homogeneous distribution of the mixed anions in all samples. This study reveals a linear switching behavior of the complexes depending on the substitution ratio with a temperature range between the homo ionic samples. Chemistry ; Counterion ; Spin crossover ; Halogen ; Ionic bonding ; Bromide ; Spectroscopy ; Ion ; Chloride ; Inorganic chemistry ; Triazole ; Crystallography ; Organic chemistry ; Alkyl Magnetism in coordination complexes ; Metal complexes synthesis and properties ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Noor Aisyah Ahmad Shah | Norli Abdullah | Siti Hasnawati Jamal | Noor Azilah Mohd Kasim | Wan Yusmawati Wan Yusof
Source: Journal of Defence Science Engineering & Technology (article, 2024-12-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

RECENT STUDIES ON ORGANIC DIPOLAR BASED ELECTRONIC AND ELECTRO-OPTIC MATERIAL The advancement of sensor technologies, optical computing, communication, and signal processing with ultra-broadband at GHz-THz bandwidths relies heavily on high-performance electro-optic (EO) modulators. Significant advancements have been made in silicon-organic hybrid (SOH) and plasmonic-organic hybrid (POH) technologies over the past ten years, enabling devices with higher bandwidth, improved energy efficiency, reduced footprints, and significantly lessen the π-voltage-length product. Modern SOH and POH technologies take advantage of the fundamental of EO activity of organic chromophores as well as the improved electrical and optical field overlap that can be achieved in nanophotonic devices. To achieve ground-breaking performance, synergistic innovation is required from the engineering of devices to the logical design of organic EO materials. It is acknowledged that the forthcoming of information technology depends on the chip-scale integration of electronics and photonics as well as the use of the greatest features of plasmonics, photonics, and electronics to accomplish this goal. However, there are still many obstacles to overcome, such as matching the sizes of the electrical and photonic circuits, accomplishing low-loss transitions across the three fields of electronics, photonics, and plasmonics, and creating and integrating novel materials. This review concentrates on the advancement and innovations of material design of different structures of organic dipolar chromophores that highlight the importanceand influence of their structures on electrical and EO properties. Electronics ; Photonics ; Nanophotonics ; Chromophore ; Organic electronics ; Dipole ; Field (mathematics) ; Hybrid system Nonlinear Optical Materials Research ; Terahertz technology and applications ; Organic Light-Emitting Diodes Research
Authors: Mingzhu Shen | Min Li | Jingxun Yu
Source:  (preprint, 2024-04-03)
Field: Chemistry — Organic Chemistry

Pd(0)-Catalyzed Three-Component [2+2+1] Cycloamination to Carbazoles Conventional approaches on using hydroxylamine derivatives as single nitrogen sources, for the preparation of N-heterocyclic molecules, rely upon two chemical operations by involving sequential nucleophilic and electrophilic C−N bond formations. Here, we report a novel Suzuki reaction/C−H activation/amination sequence for building up a myriad of carbazoles, in a single transformation, using bifunctional secondary hydroxylamines. Noteworthy, the synthetic utility of this methodology is highlighted with the total synthesis of Clausine V and Glycoborine by incorporating the titled [2+2+1] cycloamination as the key step. Control experiments were performed to gain a better understanding of the reaction mechanism. Catalysis ; Component (thermodynamics) ; Chemistry ; Organic chemistry ; Physics ; Thermodynamics Catalytic Alkyne Reactions ; Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis
Authors: Anaif M. Alhewaitey | Ishrat M. Khan | Naif M. Alhawiti
Source: Open Journal of Polymer Chemistry (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Synthesis and Characterization of Poly Styrene-Co-Poly 2-Hydroxyethylmethacrylate (HEMA) Copolymer and an Investigation of Free-Radical Copolymerization Propagation Kinetics by Solvent Effects A series of homo and copolymers of styrene (ST) and 2-hydroxyethyl methacrylate (HEMA) in three different media (bulk, tetrahydrofuran, and benzene) have been investigated by free radical polymerization method. The samples obtained from the synthesis were characterized by Fourier Transform-Infrared spectroscopy (FT-IR), proton nuclear magnetic resonance spectroscopy (1H NMR), atomic force microscopy (AFM), and differential scanning calorimetry (DSC). The results show that the synthesis of the polymers is more feasible under neat conditions rather than solvent directed reaction. Moreover, the DSC data shows that the polystyrene obtained is amorphous in nature and therefore displayed only a glass transition signal rather than crystallization and melting peaks. In addition, this study indicates that homolopolymerization of styrene via free radical polymerization tends to be preferable in less polar solvents like THF than in non-polar solvents like benzene. Benzene might destabilize the formation of the reactive radicals leading to the formation of the products. In summary, the homolpolymerization of styrene is more feasible than the homopolymerization 2-hydroxyethyl methacrylate under the experimental setup used. Styrene is more reactive than 2-hydroxyethyl methacrylate than free radical polymerization reaction due in part of the generation of the benzylic radical intermediate which is more stable leading to the formation of products than alkyl radical which are less stable. Furthermore, polymerization of styrene under neat conditions is preferable in solvent-assisted environments. The choice of solvent for the synthesis of these polymers is crucial and therefore the selection of solvent that leads to the formation of a more stable reaction intermediate is more favorable. It is worth noting that the structure of the proposed copolymer consists of a highly polar and hydrophilic monomer, 2-hydroxyethyl methacrylate and a highly non-polar and hydrophobic monomer, styrene. These functionalities constitute an amphiphilic copolymer with diverse characteristics. A plausible explanation underlying our observations is that the reaction conditions employed in the synthesis of these copolymers might not be the right route required under free radical polymerization. Copolymer ; Styrene ; Kinetics ; Polymer chemistry ; Solvent ; Characterization (materials science) ; Materials science ; Chemistry ; Organic chemistry ; Polymer ; Nanotechnology Advanced Polymer Synthesis and Characterization ; Photopolymerization techniques and applications ; Hydrogels: synthesis, properties, applications
Authors: Nur Shahz Ereena Zulkifli | Aemi Syazwani Abdul Keyon | Khairil Juhanni Abd Karim | Noorfatimah Yahaya
Source: Journal of Materials in Life Sciences (JOMALISC) (article, 2024-05-25)
Field: Chemistry — Analytical Chemistry

Magnetic-Solid Phase Extraction of 5-Fluorouracil Using Newly Synthesized Surface-Imprinted Magnetic Hollow Porous Polymer A magnetic hollow porous molecularly imprinted polymer (MHPMIP) was developed using a surface imprinting technique (mesoporous MCM-48 as a core). Its potential as a magnetic-solid phase extraction (MSPE) sorbent for the extraction of 5-fluorouracil (5-FU) anticancer drug was investigated to overcome some drawbacks caused by conventional SPE sorbents. Although SPE offers advantages such as rapidity and simplicity, the issues of low selectivity and sensitivity still remain unsolved. Moreover, the current determination methods of 5-FU in water samples are seriously disadvantaged due to major matrix interferences. Thus, extensive sample preparation is required before instrumental analysis. The MHPMIP was synthesized via precipitation polymerization using a functional monomer, methacrylic acid (MAA), crosslinking agent, ethylene glycol dimethacrylate (EGDMA), an initiator 4,4’-azobis (4-cyanopentanoic acid) (ACPA), and also the template, 5-FU. The specific surface area of MHPMIP was determined to be 63.47 m2/g with a pore volume of 0.2325 cm3/g using Brunauer-Emmett-Teller (BET) method. The MHPMIP possessed a good adsorption capacity of 2.089 mg/g. The adsorption capacity of 5-FU was significantly higher than that of the non-imprinted one (MHPNIP) (0.02324 mg/g). Coupled with FASI-CZE, the MSPE using the MHPMIP as sorbent showed that it could extract 5-FU from wastewater samples at low ppm levels. The limit of detection (LOD) and the limit of quantitation (LOQ) of the MSPE-FASI-CZE method was found to be 3.228 and 9.782 mg/L, respectively, in the linear concentration range of 5 to 15 mg/L with a good correlation (R2 = 0.9973). A recovery up to 105.7% (RSD% 9.428, n = 3) was obtained for 5-FU (5 mg/L) spiked in real samples. Solid phase extraction ; Polymer ; Materials science ; Porosity ; Phase (matter) ; Extraction (chemistry) ; Chemical engineering ; Molecularly imprinted polymer ; Chromatography ; Chemistry ; Composite material ; Organic chemistry ; Selectivity ; Catalysis Analytical chemistry methods development
Authors: Dilip S. Badwaik | Gaurav D. Kale | Dnyaneshwar D. Mathankar | Sarang R. Daf | Shrikant M. Suryawanshi
Source: ShodhKosh Journal of Visual and Performing Arts (article, 2024-02-29)
Field: Materials Science — Materials Chemistry

INVESTIGATION ON THE STRUCTURAL, MAGNETIC, AND DIELECTRIC PROPERTIES OF MG2+ SUBSTITUTED NI-CD-IN SPINEL NANOSTRUCTURED FERRITES SYNTHESIZED BY COPRECIPITATION ROUTE A soft spinel ferrite has the chemical formula MgxNi0.6Cd0.4-xFe2-yInyO4, where X values are 0.0, 0.1, 0.2, 0.3, and 0.4, and y is fixed at 0.05. These are labelled as GK6, GK7, GK8, GK9, and GK10 and are made using the coprecipitation method. X-ray diffraction patterns show that the crystallite size decreases from 21 nm to 10 nm, and the lattice dimension shrinks from 8.4839 to 8.4175 Å. FTIR analysis shows a strong vibrational band for the Fe-O group between 400 and 4000 cm⁻¹, which confirms the formation of spinel ferrite. VSM analysis indicates that coercivity increases from 297 to 338 Oe. However, retentivity decreases from 8.87 to 1.99 emu/g, and magnetic saturation drops from 54 to 22 emu/g. The impedance analyzer shows lower losses at high frequencies, suggesting that this material is suitable for microwave devices. Coprecipitation ; Spinel ; Materials science ; Dielectric ; Chemical engineering ; Metallurgy ; Inorganic chemistry ; Chemistry ; Optoelectronics Magnetic Properties and Synthesis of Ferrites ; Electromagnetic wave absorption materials ; Advancements in Battery Materials
Authors: Saavi Arora | Siva Prasad Das
Source: E3S Web of Conferences (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Graphene quantum dots: Synthesis and applications Graphene quantum dots (GQDs) are the latest superstars added from the carbon family. These are 0D materials with non-zero bandgap and are the most prominent category of nano materials, having a variety of applications in bio-imaging, optical, electrochemical energy devices, and so on and have been studied to great extent in recent years. In this review we have discussed various methods of preparation like hydrothermal, electrochemical, ultrasonic, pyrolysis, etc. and applications of GQDs. Besides, the article highlights challenges and interesting future directions of GQDs. Graphene ; Quantum dot ; Nanotechnology ; Materials science Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Lavinia A. Trifoi
Source:  (preprint, 2024-06-18)
Field: Chemistry — Inorganic Chemistry

Supramolecular Synthesis of Hybrid Metal-Organic Framework-Dye Composites as Bioimaging Probes &lt;p&gt;Fluorescence microscopy enables the visualization of complex biological systems and processes. However, the utilization of organic dyes as bioimaging agents presents several challenges such as stability in biological environment, reduced photostability, and lower quantum yields. Substantial effort has gone into the improvement of the photophysical properties of biocompatible fluorescent molecules (fluorophores).1,2Metal-organic frameworks (MOFs) are crystalline materials comprised of metal ion clusters linked by organic ligands. These nanomaterials are characterized by their large surface area, high porosity, tailorable a priori chemical design and post synthetic tunability. Selective encapsulation of fluorophores in porous nanoparticles to form emissive nanocomposite materials results in increased dye photostability and quantum yields, longer lifetimes, and better organization of the dye molecules, meanwhile providing a convenient solution to issues related to the low biocompatibility or scarce solubility of the dyes in physiological buffer. Furthermore, post synthetic functionalization of the nanostructures with targeting agents can direct precise accumulation within cells via endocytosis. In principle, this simple protocol can evolve into a general strategy to deliver intracellularly functional molecular components for targeted bioimaging applications.&lt;/p&gt; Supramolecular chemistry ; Metal-organic framework ; Materials science ; Metal ; Nanotechnology ; Composite material ; Chemistry ; Organic chemistry ; Molecule ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Source: Malaysian Journal of Chemistry (article, 2024-10-02)
Field: Materials Science — Polymers and Plastics

Sustainable Interpenetrating Polymer Networks using Waste Cooking Oil-Based Polyurethane and Polystyrene This study focuses on the synthesis of interpenetrating polymer networks (IPN) using waste cooking oil (WCO)-based polyurethane (PU) and polystyrene (PS) through a simultaneous method.The incorporation of IPN structures allows for the production of materials with desirable properties, particularly in terms of swelling behaviour due to the physical interlocking between the polymer networks.The present study aims to explore the utilisation of WCO as an environmentally friendly alternative, reducing its potential harm to the environment.WCO, being easily accessible and cost-effective, exhibits significant potential in product development.In this study, WCO was modified via transesterification to obtain WCO polyol, which was then utilised in the synthesis of the polyurethane network with methylene diphenyl diisocyanate (MDI) using stannous octoate (SnO4) as a catalyst.Simultaneously, styrene was incorporated with benzoyl peroxide (BPO) as an initiator.The addition of trimethylolpropane triacrylate (TMPTA) in different percentages served as a crosslinking agent to form IPN, which was subsequently cast into films.The resulting films were characterised using Fourier-transform infrared spectroscopy (FTIR), and their physical properties were tested by a swelling test.FTIR confirmed the formation of IPN structures, while the swelling behaviour exhibited promising results attributed to the presence of TMPTA as a crosslinker. Polyurethane ; Polystyrene ; Materials science ; Polymer ; Expanded polystyrene ; Waste management ; Chemical engineering ; Composite material ; Engineering Polymer composites and self-healing
Authors: Zhihao Zhang | Zhiyuan Yao | Yujing He | Senlong Yu | Meijia Chen | Zhenjiang Shi | Jiaxu He | Hengxue Xiang | Meifang Zhu
Source: Polymer Engineering and Science (article, 2024-12-22)
Field: Materials Science — Biomaterials

Melt‐spun poly(ethylene terephthalate‐co‐1,4‐cyclohexanedimethylene terephthalate) (PETG) copolyester fibers: Synergistic effect of chemical and crystal structure regulation Abstract In this work, a series of 1,4‐cyclohexanedimethanol (CHDM)‐based copolyester fibers are prepared by chemical structure design and crystal structure regulation. The chemical structures of poly(ethylene terephthalate‐co‐1,4‐cyclohexanedimethylene terephthalate, (PETG)) copolyesters are first confirmed by 1 H‐ and 13 C‐nuclear magnetic resonance which indicates that all copolyesters are random copolyesters. Then, the crystallization and melting behavior, thermal stability, and mechanical properties of copolyesters are significantly affected by the CHDM content and CHDM cis‐trans isomerism ratio, showing that trans‐CHDM can effectively improve the comprehensive performance of PETG copolyesters. Besides, the influence of the CHDM monomer (amount and cis‐trans isomerism ratio) and melt‐spinning drawing process on the crystal structure and mechanical properties (tensile strength, elongation) is also investigated by wide‐angle X‐ray diffraction, small‐angle X‐ray scattering, and tensile testing. Especially, the resultant PETG30‐trans80 copolyester fibers exhibit good mechanical properties, and the tensile strength and elongation are 113.9 MPa and 136.5%, respectively. Therefore, our work provides a promising strategy for the fabrication of copolyester fiber. Highlights Bio‐based PETG copolyester was obtained. Synergistic effects of a chemical structure and drawing process of PETG fiber were discussed. The influence of drawing process on crystallization, and orientation of fiber properties was studied. Copolyester ; Materials science ; Ultimate tensile strength ; Crystallization ; Melt spinning ; Fiber ; Composite material ; Ethylene ; Polymer chemistry ; Chemical engineering ; Polyester ; Organic chemistry biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Microplastics and Plastic Pollution
Authors: Gang Zou | Zeyu Feng | Jialei Li | Peng Yang | Xiangxiang Xu | Di Wang | Jiahe Li | Chutian Zhang | Jingguo Li | Hongli Zhang | Xin Chen
Source: Research Square (preprint, 2024-10-28)
Field: Materials Science — Materials Chemistry

Dynamic Multimodal Information Encryption Combining Programmable Structural Coloration and Switchable Circularly Polarized Luminescence Luminescence ; Encryption ; Materials science ; Computer science ; Optoelectronics ; Optics ; Physics ; Computer security Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials
Authors: Ayşe Asatekin | Louis C. P. M. de Smet
Source: Applied Surface Science Advances (article, 2024-12-18)
Field: Materials Science — Surfaces, Coatings and Films

Preface on Hot Topics in Surface Science: Organic Coatings (HTSS-OC) Surface (topology) ; Materials science ; Environmental chemistry ; Chemical engineering ; Environmental science ; Nanotechnology ; Chemistry ; Engineering ; Mathematics Surface Modification and Superhydrophobicity ; Polymer Surface Interaction Studies ; Block Copolymer Self-Assembly