jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carlos Alberto Huerta‐Aguilar | Iván J. Bazany‐Rodríguez | Valeria Hansberg-Pastor | Ignacio Camacho‐Arroyo | Iván A. Reyes | Pabel Cervantes‐Avilés | Pandiyan Thangarasu
Source: Journal of Fluorescence (article, 2024-08-31)
Field: Chemistry — Spectroscopy

ZnO-Salen NPs Employed as Chemosensor for Detection of Al3+ and K+ in Aqueous Medium, Developing Human Cell Images ZnO nanoparticles (NPs) were prepared and characterized by different analytical methods and then they were used to decorate with N, N´-bis(salicylidene)ethylenediamine (salen) in order to perform as receptor for the metal ions in an aqueous medium. The results show that ZnO-salen selectively detects Al<sup>3+</sup> ions in aqueous medium since the intensity of fluorescence has been enhanced significantly. However, the presence of K<sup>+</sup> in the medium further intensified the fluorescence emission for the [ZnO-salen-Al<sup>3+</sup>] system. The above system has been applied to recognize Al<sup>3+</sup> and K<sup>+</sup> in cells by developing the cell images, for which, the fluorescence image is brightened if a human glioblastoma U251 cell contains [ZnO-salen-Al<sup>3+</sup>] + K<sup>+</sup> ions, consisting of the fluorescence titration. The binding global constant for Al<sup>3+</sup> and the subsequent recognition of K<sup>+</sup> by ZnO-salen resulted in β<sub>2</sub>(Al<sup>3+</sup>) = 6.61 × 10<sup>3</sup> and β<sub>2</sub>(K<sup>+</sup>) = 3.71 × 10<sup>3</sup> with a detection limit of 36.51 µM for Al<sup>3+</sup> and 17.39 µM for K<sup>+</sup>. In the cell toxicity analysis, the cell viability was over 85% for the ZnO-salen even in the concentration as high as 100 mM. Chemistry ; Ethylenediamine ; Fluorescence ; Detection limit ; Titration ; Metal ions in aqueous solution ; Aqueous solution ; Ion ; Aqueous medium ; Nanoparticle ; Nuclear chemistry ; Inorganic chemistry ; Nanotechnology ; Physical chemistry ; Chromatography ; Organic chemistry ; Materials science Molecular Sensors and Ion Detection ; Advanced biosensing and bioanalysis techniques ; Electrochemical Analysis and Applications
Authors: Martin Hadzima | Franco F. Faucher | Kristýna Blažková | Joshua J. Yim | Matteo Guerra | Shiyu Chen | Emily C. Woods | Ki Wan Park | Pavel Šácha | Vladimír Šubr | Libor Kostka | Tomáš Etrych | Pavel Majer | Jan Konvalinka | Matthew Bogyo
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-05-09)
Field: Materials Science — Biomaterials

Polymer-tethered quenched fluorescent probes for enhanced imaging of tumor associated proteases Fluorescence-based contrast agents enable real-time detection of solid tumors and their neovasculature, making them ideal for use in image-guided surgery. Several agents have entered late-stage clinical trials or secured FDA approval, suggesting they are likely to become standard of care in cancer surgeries. One of the key parameters to optimize in contrast agent is molecular size, which dictates much of the pharmacokinetic and pharmacodynamic properties of the agent. Here, we describe the development of a class of protease-activated quenched fluorescent probes in which a N-(2-hydroxypropyl)methacrylamide copolymer is used as the primary scaffold. This copolymer core provides a high degree of probe modularity to generate structures that cannot be achieved with small molecules and peptide probes. We used a previously validated cathepsin substrate and evaluated the effects of length and type of linker as well as positioning of the fluorophore/quencher pair on the polymer core. We found that the polymeric probes could be optimized to achieve increased over-all signal and tumor-to-background ratios compared to the reference small molecule probe. Our results also revealed multiple structure-activity relationship trends that can be used to design and optimize future optical imaging probes. Furthermore, they confirm that a hydrophilic polymer is an ideal scaffold for use in optical imaging contrast probes, allowing a highly modular design that enables efficient optimization to maximize probe accumulation and overall biodistribution properties. Fluorescence ; Proteases ; Polymer ; Biophysics ; Nanotechnology ; Materials science ; Chemistry ; Biology ; Biochemistry ; Optics ; Composite material ; Enzyme ; Physics Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Advanced biosensing and bioanalysis techniques
Authors: Chanita Khanantong | Thanutpon SRINOPKUN | Thitirut BOONMAK | Jintana Siriboon
Source: Journal of Metals Materials and Minerals (article, 2024-06-04)
Field: Chemistry — Organic Chemistry

One-pot microwave-assisted approach of polydiacetylene/zinc oxide nanocomposite for reversible thermochromic This study introduces a new technique to fabricate the reversible poly(PCDA/ZnO) nanocomposites thermochromism. Our preparation process is the solution-mixing method, which is supported by microwave synthesis time instead of ultrasonic bath or stirrer. The presence of ethanol molecules in aqueous media in the solution-mixing method induces dipolar polarization. In addition, the presence of Zn2+ leaking out of the ZnO can produce ionic polarization. These factors affect the shape of poly(PCDA/ZnO) nanocomposites based on their thermochromic properties. The optical properties of poly(PCDA/ZnO) nanocomposite were determined through UV-Vis absorption spectroscopy. The morphology of this nanocomposite was examined by scanning electron microscopy, and its crystallinity was investigated by X-ray diffraction. The inter-intrachain interaction was confirmed by infrared spectroscopy. In addition, the poly(PCDA/ZnO) nanocomposite embedding PVA was prepared. The reversible theromochromic properties of poly(PCDA/ZnO) nanocomposites demonstrated a higher color transition temperature with increasing microwave synthesis time. It is an important observation to understand the effect of microwave synthesis time on the morphology and reversible thermochromism of the poly(PCDA/ZnO) nanocomposite Materials science ; Nanocomposite ; Thermochromism ; Chemical engineering ; Crystallinity ; Dielectric ; Nanotechnology ; Organic chemistry ; Composite material ; Optoelectronics Polydiacetylene-based materials and applications ; Ocular Surface and Contact Lens ; Antimicrobial Peptides and Activities
Authors: Gökhan Demirci | Agata Goszczyńska | Martyna Sokołowska | Marek J. Żwir | Krzysztof Gorący | Mirosława El Fray
Source: Polymers (article, 2024-12-21)
Field: Chemistry — Organic Chemistry

Synthesis and Characterization of Photocurable Difunctional Monomers for Medical Applications Photocurable materials offer a rapid transition from a liquid to a solid state, and have recently received great interest in the medical field. However, while dental resins are very popular, only a few materials have been developed for soft tissue repair. This study aims to synthesize a difunctional methacrylate monomer using a dibutyltin dilaurate which is suitable for the photocuring of soft materials. These soft materials were compared with PhotoBioCure<sup>®</sup> (Szczecin, Poland) material with a similar molecular weight, of Mn ~7000 g/mol on average. Infrared spectroscopy was used to monitor the two-step synthesis catalyzed with dibutyltin dilaurate, while spectroscopic and chromatographic methods were used to determine the chemical structure and molecular weight of the monomers. Photopolymerization kinetics under varying light intensities were explored in a nitrogen atmosphere for representative difunctional monomers. The mechanical testing of the resulting elastomeric films confirmed tensile strength and modulus values consistent with soft tissue parameters in the range of 3-4 MPa. The 3D printability of the macromonomers was also assessed. Additionally, cytotoxicity assessments using cultured cells showed a high cell viability (97%) for all new materials. Overall, we demonstrate that difunctional methacrylate monomers converted to flexible solids during photopolymerization show great potential for biomedical applications. Photopolymer ; Monomer ; Methacrylate ; Elastomer ; Materials science ; Polymer chemistry ; Glass transition ; Chemical engineering ; Ultimate tensile strength ; Dynamic mechanical analysis ; Polymer ; Composite material Photopolymerization techniques and applications ; Dental materials and restorations ; Additive Manufacturing and 3D Printing Technologies
Authors: Guo Peng | Yong‐Bo Peng | Guo‐Xing Zhou | Rongyan Zhang | Ying‐Zhao Ma | Shuchang Luo | Xiao‐Ming Ren
Source: Applied Organometallic Chemistry (article, 2024-11-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The Impact of Coordination Distortion on Magnetic Properties of Co (II) Single‐Ion Magnets With Trigonal Prism Coordination Geometry ABSTRACT Two Co (II) compounds [Co (abs) 2 ]·2H 2 O ( 1 ) and [Co (pabs) 2 ] ( 2 ) (Habs = N‐(pyridine‐2′‐yl methylene)‐2‐aminobenzene sulfonic acid, Hpabs = N‐[(pyridine‐2′‐yl)(phenyl)methylene]‐2‐aminobenzene sulfonic acid) were synthesized by the introduction of sulfonate ligands with different substitutions. Both Co (II) ions are located in a trigonal prism coordination environment with different coordination distortions. Static magnetic studies and theoretical calculations found that easy‐axis magnetic anisotropy is present in both complexes. The contributions of the negative D values are principally derived from the first quartet excited state. Dynamic magnetic investigations uncovered that both compounds have field‐induced single‐ion magnet (SIM) behavior and their magnetic relaxations mainly realize through Raman and direct pathways. Chemistry ; Magnet ; Trigonal crystal system ; Coordination geometry ; Distortion (music) ; Prism ; Ion ; Trigonal prismatic molecular geometry ; Trigonal pyramidal molecular geometry ; Geometry ; Crystallography ; Optics ; Crystal structure ; Mechanical engineering ; Physics ; Optoelectronics Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Advanced NMR Techniques and Applications
Authors: Kamlesh Sahu
Source: International Journal for Research Publication and Seminars (article, 2024-09-18)
Field: Materials Science — Materials Chemistry

STUDIES ON THE SYNTHESIS AND CHARACTERIZATION OF ZEOLITES AND THEIR APPLICATION AS A CATALYST Because of their wide range of uses in catalysis, adsorption, and ion exchange, zeolites, which belong to the family of microporous aluminosilicate minerals, have garnered a lot of interest in recent years. The synthesis and characterisation of a variety of zeolites, as well as their potential application as catalysts in certain industrial processes, are the primary objectives of this research. Following the hydrothermal synthesis of various zeolite structures, such as ZSM-5, Y-zeolite, and Beta-zeolite, using a variety of templates and raw materials, followed by the structural and chemical characterization of these zeolite structures using techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier-transform infrared spectroscopy (FTIR), the research is being conducted. In order to evaluate the effectiveness and selectivity of the produced zeolites in comparison to traditional catalysts, their catalytic activity is examined in a number of different processes, such as cracking, isomerization, and alkylation. The findings indicate that the particular pore structure, surface area, and acidity of the zeolites have a substantial impact on the catalytic activity of the zeolites. In addition, the catalytic capabilities of zeolites can be further improved by modifying them by ion exchange or impregnation with metal nanoparticles (for example, platinum or lead). After doing the research, the researchers came to the conclusion that zeolites have the potential to be effective catalysts for a variety of chemical transformations that are also kind to the environment. These catalysts are interesting alternatives to traditional catalysts in industrial processes such as the refinement of petrochemicals and the creation of sustainable energy because of their adaptability, the fact that their characteristics may be tuned, and the fact that they can be recycled. Catalysis ; Characterization (materials science) ; Chemical engineering ; Chemistry ; Materials science ; Business ; Nanotechnology ; Organic chemistry ; Engineering Mesoporous Materials and Catalysis ; Zeolite Catalysis and Synthesis ; Catalytic Processes in Materials Science
Authors: BoucarDiouf | Waly Diallo | DaoudaNdoye | BocarTraoréandMamadouSidibé
Source: Journal of Environmental Science and Engineering B (article, 2024-12-20)
Field: Chemistry — Organic Chemistry

Some Maleate New Tin (IV) and Magnesium or Zinc Chloride Adduct and Derivative: Synthesis and Spectroscopic Study Three new maleate compounds have been synthesized and studied by infrared, 25 Mg NMR (Nuclear Magnetic Resonance) Spectroscopy and UV (Ultraviolet)-visible spectroscopies.The suggested structures for the three complexes are discrete with NH-Cl hydrogen bonds.The maleate anion is monochelating (compound 1 and 2) and bichelating (compound 3).The environment tin (IV) and magnesium center are octahedral and the zinc center environment is tetrahedral.In all the suggested structures, when extra hydrogen bonds are considered, supramolecular architectures are obtained. Adduct ; Zinc ; Tin ; Magnesium ; Chemistry ; Chloride ; Inorganic chemistry ; Derivative (finance) ; Nuclear chemistry ; Organic chemistry Organometallic Compounds Synthesis and Characterization ; Inorganic and Organometallic Chemistry ; Thermal and Kinetic Analysis
Authors: Nuzhat Rehman | Ayaz Mahmood Dar | Raja Feroz Ahmad Haji | Sharief-ud-din Khan | Deepak Pareek | Saleem Farooq | Bashir Ahmad Dar
Source: Chemistry Journal of Moldova (article, 2024-06-01)
Field: Chemistry — Organic Chemistry

Green and Efficient Synthesis of Dihydropyrimidinone Analogues via Hpa-Clay Catalyzed Biginelli Reaction This study introduces an environmentally sustainable approach for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones (DHPMs), via the Biginelli reaction. A heterogeneous catalyst, Heteropolyacid-Clay (HPA-Clay), is developed by immobilizing H5PV2W10O40 on Montmorillonite KSF clay. The catalyst exhibits enhanced stability and catalytic efficiency, confirmed through X-ray powder diffraction and scanning electron microscopy. Utilizing a one-pot multi-component strategy under solvent-free conditions, various aldehydes, urea or thiourea, and ethylacetoacetate generate DHPMs with excellent yields and reduced reaction times. Catalysed by 2 mol% HPA-Clay, the process aligns with green chemistry principles, emphasizing cost-efficiency, environmental sustainability, and recyclability. The catalyst demonstrates consistent activity over multiple cycles, highlighting its potential for advancing Biginelli reactions. Biginelli reaction ; Chemistry ; Thiourea ; Catalysis ; Montmorillonite ; Urea ; Green chemistry ; Organic chemistry ; Heterogeneous catalysis ; Chemical engineering ; Reaction mechanism Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Pavlo Barun | Anastasiia Hoida | Illia Borbat | Bohdan V. Vashchenko
Source: ChemRxiv (preprint, 2024-09-03)
Field: Chemistry — Organic Chemistry

Expanding the Chemical Space: Functionalized Ethynyl Oxazoles as Versatile Reagents for the Click Chemistry The limited availability of synthetic techniques and methods, coupled with the sensitivity of the oxazole ring, has restricted the use of ethynyl-substituted oxazoles in drug design, despite their potential advantages. In this study, we present our extensive experience in oxazole chemistry through a comprehensive analysis of the oxazole core’s tolerance to various reaction conditions for selective modifications. Additionally, we aimed to optimize synthetic protocols to develop efficient methods scalable to multigram quantities in a single run. We also sought to identify mild, tolerant approaches to address the instability of the oxazole ring and manage potential side reactions. Our work led to the development of an efficient approach for performing click reactions on ethynyl heterocycles, resulting in excellent yields and a straightforward purification process. This opens up a largely unexplored space for incorporating small molecule oxazoles into drug targets via click reactions with various azides. These findings could significantly advance oxazole chemistry and their integration into drug development programs. Oxazole ; Combinatorial chemistry ; Click chemistry ; Reagent ; Chemical space ; Chemistry ; Ring (chemistry) ; Scalability ; Computer science ; Drug discovery ; Biochemical engineering ; Nanotechnology ; Organic chemistry ; Materials science ; Engineering Click Chemistry and Applications ; Synthesis and biological activity ; Synthesis and Biological Evaluation
Authors: Axel Schultheis | Vico Tenberg | Liisa Rihko‐Struckmann | Kai Sundmacher | Heike Lorenz
Source: Chemie Ingenieur Technik (article, 2024-11-06)
Field: Materials Science — Materials Chemistry

Crystallization‐Based Separation of ε‐Caprolactam from a Depolymerization Reaction Mixture – Fundamentals and Potential Separation Strategies Abstract Depolymerization and subsequent capture of monomers is of interest for process efficiency and sustainability. Polyamide‐6 (PA‐6) can be depolymerized in aqueous solution using a homogeneous catalyst. To purify the ε‐caprolactam (CPL) monomer and recycle the catalyst, two potential crystallization‐based strategies are studied: direct crystallization from the reaction mixture and liquid‐liquid extraction prior to crystallization. Solubilities in water and promising organic solvents were measured and compared to predictions using perturbed‐chain statistical associating fluid theory (PC‐SAFT) or conductor‐like screening model for real solvents (COSMO‐RS). Detailed solid‐liquid equilibria (SLE) of the CPL/water system were investigated utilizing DSC and PXRD. This work provides an overview of important factors of PA‐6 depolymerization including recycling of tungstophosphoric acid (TPA) and purification of CPL monomers. A first conceptual process design to be further developed is derived. Depolymerization ; Caprolactam ; Separation (statistics) ; Crystallization ; Separation method ; Materials science ; Chemical engineering ; Chemistry ; Chromatography ; Organic chemistry ; Polymer chemistry ; Engineering ; Computer science Crystallization and Solubility Studies ; Phase Equilibria and Thermodynamics ; Process Optimization and Integration
Authors: Xiongzhe Fan | Yi Meng
Source: Science and Technology of Engineering Chemistry and Environmental Protection (article, 2024-09-15)
Field: Materials Science — Materials Chemistry

Optical Performance of Quantum Dots and Their Applications in Biomedical Imaging. Quantum dots are nanomaterials which have attracted significant focus over the past few years because of their singular optical features. They have shown great potential in the field of bioimaging. This study delves into the photonic properties of quantum dots which include good luminescence stability and broad excitation spectra. Besides, the emission wavelength can be precisely controlled. These properties make them an excellent choice for bio-imaging. The usage of quantum dots in live organism imaging, such as pinpointing cell boundaries, tracking intracellular molecular dynamics, and early disease diagnosis, indicate the immense potential of quantum dots in biomedical realm. Through modifications on the surface of quantum dots, targeted imaging can be realized, which greatly improves the specificity and sensitivity of imaging. Nonetheless, the biosafety and long-term in vivo behavior of quantum dots still need to be further investigated. Overall, the light-based attributes of quantum dots have brought breakthroughs in bio-imaging technology. In addiiton, it would foretell a bright future for quantum dots in the biomedical field. Quantum dot ; Photonics ; Quantum sensor ; Quantum ; Electro-absorption modulator ; Quantum dot laser ; Quantum optics ; Nanomaterials Carbon and Quantum Dots Applications ; Near-Field Optical Microscopy ; Advanced Fluorescence Microscopy Techniques
Authors: S. E. Moore | J Amey
Source: International Journal of Advanced Academic Studies (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Advancements in lewis acid catalysis for friedel-crafts acylation reactions This review explores recent advancements in Lewis acid catalysis for Friedel-Crafts acylation reactions, highlighting innovative catalyst designs, enhanced reaction efficiencies, and the expansion of substrate scope. Lewis acid catalysts play a pivotal role in facilitating acylation reactions by activating acyl chlorides and carbonyl compounds towards nucleophilic attack. The evolution of catalytic systems, including the use of environmentally benign and recyclable materials, has significantly contributed to the development of more sustainable and efficient synthetic pathways for aromatic ketone production. This paper synthesizes the current state of knowledge, discusses the mechanistic insights gained from recent studies, and outlines the future direction of research in this field. Friedel–Crafts reaction ; Lewis acids and bases ; Acylation ; Chemistry ; Catalysis ; Lewis acid catalysis ; Organic chemistry Chemical synthesis and pharmacological studies ; Synthesis of Organic Compounds ; Synthesis and Reactivity of Sulfur-Containing Compounds
Authors: Meng Shi | Ge Zhu | Ning Lin | Jingzhi Ma
Source: Journal of Applied Polymer Science (article, 2024-11-20)
Field: Materials Science — Biomaterials

Mechanical Properties and In Vitro Degradation Study of Modified‐Polylactic Acid Block Copolymers/Polyetheretherketone Biocomposites ABSTRACT Polylactic acid (PLA) plays a crucial role in addressing global environmental concerns, particularly the challenges of achieving carbon peak and neutrality goals. Polyetheretherketone (PEEK) has emerged as a potential orthopedic implant material due to its excellent mechanical properties, elastic modulus similar to human bone, wear resistance, and good biocompatibility. In this study, PEEK/PLA (PEEK/PLA) composites were prepared using a film‐casting method. PEEK exhibits a spherical structure and can be dispersed in the PLA matrix, demonstrating good compatibility with PLA. Additionally, PEEK acts as a heterogeneous nucleating agent, reducing the surface free energy barrier for the crystallization nucleation of PLA molecules and promoting PLA crystallization. When the PEEK content is 8%, the tensile strength and Young's modulus of the composite material increase by 15.45% and 91.23%, respectively, compared to pure PLA. Furthermore, the introduction of the copolymer (PC x L y A) not only improves the compatibility between PLA and the blend but also successfully regulates the mechanical properties and in vitro degradation of the composite by adjusting the ratio of ε‐caprolactone and L‐lactide in the copolymer. This study not only delves into the modification strategies and methods for PLA composites but also provides new insights for developing biomedical materials with excellent properties. Peek ; Materials science ; Polylactic acid ; Composite material ; Biocompatibility ; Crystallization ; Copolymer ; Ultimate tensile strength ; Compatibilization ; Composite number ; Nucleation ; Polymer ; Chemical engineering ; Polymer blend ; Chemistry biodegradable polymer synthesis and properties ; Bone Tissue Engineering Materials ; Additive Manufacturing and 3D Printing Technologies