jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rouzbeh Tehrani | A. N. Upadhyay | Farbod Alimohammadi
Source: ChemRxiv (preprint, 2024-04-01)
Field: Materials Science — Biomaterials

Engineering Porosity-Tuned Chitosan Beads: Balancing Porosity, Kinetics, and Mechanical Integrity Chitosan, a cationic natural polysaccharide derived from the deacetylation of chitin, is known for its solubility in diluted acidic solutions, biodegradability, biocompatibility, and non-toxicity. This study introduces three innovative methods to prepare porous chitosan microsphere particles, which are crucial for enhancing their efficiency in water remediation and medical applications. The methods, solvent extraction, surfactant extraction, and substance decomposition, involve the integration and subsequent extraction or decomposition of materials during the synthesis process, eliminating the need for additional steps. We used state-of-the-art characterization techniques to analyze and evaluate the chemical and physical properties of the particles, such as Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-ray diffraction (XRD), and especially three-dimensional computed tomography (CT) scanning. The CT scans were used to visualize and measure the porosity of different particle types, ranging from 68.4% to 39.3%. This detailed study extended to evaluate the mechanical properties of the particles under compressive forces in wet and dry conditions, highlighting the influence of porosity on their mechanical integrity and compression pressure behavior. In addition, we explored the adsorptive properties of these chitosan particles, using methylene blue as a model pollutant because of its toxicity, underscoring the significance of porosity in enhancing their pollutant removal efficiency. This study opens the window for developing environmentally sustainable polymer particles and highlights the pivotal role of porosity in optimizing the material’s efficacy for a wide range of applications. Porosity ; Chitosan ; Kinetics ; Materials science ; Chemical engineering ; Composite material ; Engineering ; Physics Electrospun Nanofibers in Biomedical Applications
Authors: Mark Robertson | Andrew D. Barbour | Zhe Qiang
Source: RSC Applied Polymers (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Valorization of shoe sole waste into high-performance cationic dye sorbents <i>via</i> sulfonation This work demonstrates a straightforward method to convert real-world shoe waste midsoles into water remediation sorbents for the removal of cationic organic pollutants. Cationic polymerization ; Waste management ; Pulp and paper industry ; Chemistry ; Chemical engineering ; Environmental science ; Organic chemistry ; Engineering Synthesis of Tetrazole Derivatives ; Catalysis and Hydrodesulfurization Studies ; Chemical Synthesis and Reactions
Authors: Hugo Cruchade | Francesco Dalena | Eddy Dib | Abdelhafid Aitblal | Diógenes Honorato Piva | Aymeric Magisson | Svetlana Mintova
Source: Surfaces and Interfaces (article, 2024-10-30)
Field: Chemistry — Inorganic Chemistry

Elucidating silanol removal in MFI nanosized zeolites through controlled post-synthesis hydrothermal treatments Silanol ; Materials science ; Hydrothermal circulation ; Hydrothermal synthesis ; Zeolite ; Chemical engineering ; Organic chemistry ; Catalysis ; Chemistry Zeolite Catalysis and Synthesis ; Chemical Synthesis and Characterization ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Olivier Gazil | Ludivine Rault | Déborah Iglicki | Vincent Collière | Gizem Karacaoglan | Didier Poinsot | Moad Bouzid | Jean‐Cyrille Hierso | Myrtil L. Kahn | Nick Virgilio | Fabienne Gauffre
Source: Langmuir (article, 2024-07-31)
Field: Materials Science — Materials Chemistry

Spontaneous Emulsification of Organometallic Complexes Applied to the Synthesis of Nanocapsules Active for H<sub>2</sub> Release from Ammonia-Borane Herein, we achieved spontaneous emulsification of organometallic precursors to elaborate subμm metal nanocapsules after interfacial reduction. Depending on the proportion of the three components, water, solvent, and the metal precursor, either thermodynamically stable "surfactant-free microemulsions" (SFME) or metastable Ouzo emulsions are formed. We investigated the catalytic transition metals Au, Pd, and Pt, individually or combined, and stabilized by various ligands. Upon reduction of the precursors, either shells of discrete nanoparticles (NPs) or continuous shells were obtained, for the SFME and Ouzo emulsions, respectively. The Au/Pd mixed emulsions lead to a unique structural morphology, in which the Au-Pd nanoparticles are embedded in a continuous submicronic metal shell. The AuNPs are available to grow larger particles within the NP shell using a seeded growth approach. The water-stable and surfactant-free nanocapsules are appealing as catalysts, and, as such, were evaluated for the hydrolysis of ammonia-borane as a promising catalytic strategy for H<sub>2</sub> release from an H-high-content storage material. This work establishes for the first time a genuine activity of water-compatible gold colloids for this reaction. Nanocapsules ; Ammonia borane ; Catalysis ; Nanoparticle ; Chemistry ; Metal ; Pulmonary surfactant ; Chemical engineering ; Borane ; Microemulsion ; Reducing agent ; Solvent ; Polymer chemistry ; Materials science ; Nanotechnology ; Organic chemistry Pickering emulsions and particle stabilization ; Hydrogen Storage and Materials ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Hui Xu | Xiaojuan Xing | Zhiqiang Hao | Zhangang Han | Zhihong Ma | Jin Lin
Source: Applied Organometallic Chemistry (article, 2024-10-16)
Field: Chemistry — Organic Chemistry

Selective Oxidative Scission of Olefins to Aldehydes Enabled by Ruthenium Complexes Containing Salicylaldimine Ligands ABSTRACT Treatment of Ru 3 (CO) 12 with salicylaldimine ligands [ArNCH(3‐ t BuC 6 H 3 OH) [ArC 6 H 5 ( L1H ); 4‐OMeC 6 H 4 ( L2H ); 4‐MeC 6 H 4 ( L3H ); 2,4,6‐Me 3 C 6 H 2 ( L4H ); 4‐ClC 6 H 4 ( L5H ); 4‐BrC 6 H 4 ( L6H )] in refluxing toluene afforded six bis‐ligand mononuclear ruthenium carbonyl complexes [ArNCH(3‐ t BuC 6 H 3 O)] 2 Ru(CO) 2 1a – 1f in good yields. All of the Ru(II) complexes were characterized using IR, NMR, and elemental analysis. The molecular structures of complexes 1a , 1b , 1e , and 1f were further confirmed through X‐ray diffraction analysis. Additionally, the catalytic performance of these complexes was investigated in the oxidation of olefins to aldehydes, using TBHP as the oxidant in refluxing trichloromethane. With 1.0 mol% catalyst loading, these ruthenium complexes displayed high reactivity and good functional‐group compatibility, selectivity providing the corresponding oxidation product aldehydes in 73%–94% yields. Chemistry ; Ruthenium ; Bond cleavage ; Oxidative phosphorylation ; Organic chemistry ; Aldehyde ; Combinatorial chemistry ; Polymer chemistry ; Catalysis ; Medicinal chemistry ; Biochemistry Catalytic C–H Functionalization Methods ; Oxidative Organic Chemistry Reactions ; Asymmetric Hydrogenation and Catalysis
Authors: Tinnakorn Saelee | Pichayapong Sitthijun | Chinanang Ngamlaor | Nuttapat Kerdprasit | Meena Rittiruam | Patcharaporn Khajondetchairit | Juarez L. F. Da Silva | Nichakorn Buasuk | Piyasan Praserthdam | Supareak Praserthdam
Source: Scientific Reports (article, 2024-08-01)
Field: Chemistry — Organic Chemistry

Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization One class of the Ziegler-Natta catalysts (ZNC) - the TiCl<sub>4</sub>/MgCl<sub>2</sub> having triethyl aluminum (AlEt<sub>3</sub>), has been widely utilized during ethylene polymerization. Although the Ti species plays the role of a major active site, an increase of Ti species does not always improve the activity of ZNC. Herein, investigations of experiments and density functional theory (DFT) elucidate this inverse effect of the increased amount of TiCl<sub>4</sub> deposition in ZNC because of the pretreatment process. However, the activity of ZNC on pretreated MgCl<sub>2</sub> dropped to 60% of the unpretreated one. The DFT demonstrates that the pretreatment strengthened the interaction between TiCl<sub>4</sub> and ZNC, especially on the (104) surface, forming the TiCl<sub>4</sub>-TiCl<sub>4</sub> cluster. The existence of this TiCl<sub>4</sub>-TiCl<sub>4</sub> cluster found on the ZNC (104) surface weakens the adsorption of the first AlEt<sub>3</sub> molecule and obstructs further alkylation process, making another Ti site of the alkylated TiCl<sub>4</sub>-TiCl<sub>4</sub> cluster inactive. However, the difficult formation of the TiCl4-TiCl4 cluster found on the ZNC (110) is an important key point that enables the activation of all adsorbed TiCl<sub>4</sub> on this surface by facilitating the alkylation process. Moreover, the existence of the MgCl<sub>2</sub> (110) surface prevents the formation of the TiCl<sub>4</sub>-TiCl<sub>4</sub> cluster significantly. Hence, it is suggested that the existence of the (110) plane on ZNC plays a key role in controlling the performance of the ZNC, especially the stability via the prevention of deactivation caused by the clustering of TiCl<sub>4</sub>. Polymerization ; Catalysis ; Ethylene ; Chemistry ; Alkylation ; Cluster (spacecraft) ; Adsorption ; Biochemistry ; Organic chemistry ; Computer science ; Polymer Organometallic Complex Synthesis and Catalysis ; Inorganic Chemistry and Materials ; Synthesis and characterization of novel inorganic/organometallic compounds
Authors: Siren Guo | Xialong Cai | Rongling Zhang | Wei Feng | Hanjun Wei | Ying Li
Source: eXPRESS Polymer Letters (article, 2024-12-15)
Field: Materials Science — Biomaterials

Controllable fabrication of elastic foam with ordered helical carbon nanofiber arrays In this work, a foam composed of helical carbon nanofiber arrays was successfully synthesized via chemical vapor deposition.By controlling synthesis parameters including the synthesising temperature and gas flow rate, carbon nanofibers with straight, kinked, and spring-like morphologies were obtained.Adjusting the precursor feed led to the formation of foams with well-ordered carbon nanofiber structures.The nanofibers exhibit diameters ranging from 98 to 175 nm and lengths extending to the centimetre scale.Experimental results confirm that these fibers are organic carbon nanofibers, attributed to low-temperature catalytic synthesis.Structural characterization reveals that the catalyst assumes a regular polyhedral shape and becomes embedded within the fibers, which symmetrically grow from both faces of the catalyst.Structural analysis indicate that the carbon nanofibers are hollow, multi-walled structures with numerous defects.The resulting foam demonstrates porous, along with excellent elasticity and high mechanical strength. Materials science ; Fabrication ; Composite material ; Nanofiber ; Carbon nanofoam ; Carbon nanofiber ; Carbon fibers ; Nanotechnology ; Polymer science ; Carbon nanotube ; Porosity Electrospun Nanofibers in Biomedical Applications ; Cellular and Composite Structures ; Polymer composites and self-healing
Authors: Yikun Zhu | James Mahoney | Aaron J. Babson | Zheng Zhou | Zheng Wei | Miguel Gakiya-Teruya | James McNeely | Andrey Yu. Rogachev | Michael Shatruk | Marina A. Petrukhina
Source: Inorganic Chemistry (article, 2024-02-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Homoleptic Rare-Earth-Metal Sandwiches with Dibenzo[<i>a</i>,<i>e</i>]cyclooctatetraene Dianions A family of rare-earth complexes [RE(III) = Y, La, Gd, Tb, Dy, and Er] with doubly reduced dibenzo[a,e]cyclooctatetraene (DBCOT) has been synthesized and structurally characterized. X-ray diffraction analysis confirms that all products of the [RE(DBCOT)(THF)4][RE(DBCOT)2] composition consist of the anionic sandwich [RE(DBCOT)2]− and the cationic counterpart [RE(DBCOT)(THF)4]+. Within the sandwich, two elongated π decks are slightly bent toward the metal center (avg. 7.3°) with a rotation angle of 35.9–37.6°. The RE(III) ion is entrapped between the central eight-membered rings of DBCOT2– in a η8 fashion. The trends in the RE–COT bond lengths are consistent with the variations of the ionic radii of RE(III) centers. The 1H NMR spectra of the diamagnetic Y(III) and La(III) analogues illustrate the distinct solution behavior for the cationic and anionic parts in this series. Magnetic measurements for the Dy analogue reveal single-molecule magnetism, which was rationalized by considering the effect of crystal-field splitting for both building units analyzed by electronic structure calculations. Homoleptic ; Chemistry ; Cyclooctatetraene ; Crystallography ; Cationic polymerization ; Ionic bonding ; Metal ; Crystal structure ; Ionic radius ; Molecule ; Stereochemistry ; Ion ; Polymer chemistry Magnetism in coordination complexes ; Organometallic Complex Synthesis and Catalysis ; Lanthanide and Transition Metal Complexes
Source: Materials International (article, 2024-06-10)
Field: Materials Science — Biomaterials

Nanocellulose-Based Composites as Advanced Materials Nanocellulose-based composites are emerging as an advanced material with extremely interesting properties at lower fiber loading, retaining its transparent nature with better processability and eco-friendly characteristics than natural cellulosic fiber-based systems. Various cellulose resources, including plant fibers such as sisal, banana, coir, jute, areca fiber, rice husk, etc., and wood pulp were used for the synthesis of nano cellulose by chemical as well as mechanical processing, including steam explosion to make these nanofibers in bulk with cost-effective processes compared to TEMPO mediated oxidation. In situ, crosslinking strategies have been tried in composites with biopolymer matrices such as poly (lactic acid), poly (glycolic acid), poly (butylene succinate), etc., for forming interpenetrating network structures in nanocomposites for tailor-made properties for automotive applications. The possibility for functionalization-induced self-assembly in nanocellulose composite systems opened up a novel area with self-aligned fiber-incorporated composites showing applications in stimuli-responsive materials and the production of devices for biomedical applications with better biocompatibility. These composites with defined barrier properties and eco-friendly characteristics are suitable for electronic packaging applications. Nanocellulose ; Materials science ; Composite material ; Nanofiber ; Environmentally friendly ; Cellulose fiber ; SISAL ; Cellulose ; Pulp (tooth) ; Biopolymer ; Bacterial cellulose ; Biocompatibility ; Natural fiber ; Fiber ; Nanocomposite ; Polymer ; Chemical engineering Advanced Cellulose Research Studies ; Natural Fiber Reinforced Composites
Authors: Hui Wang
Source: Nanophotonics (article, 2024-11-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmon‐driven molecular scission Abstract Plasmon‐driven photocatalysis offers a unique means of leveraging nanoscale light–matter interactions to convert photon energy into chemical energy in a chemoselective and regioselective manner under mild reaction conditions. Plasmon‐driven bond cleavage in molecular adsorbates represents a critical step in virtually all plasmon‐mediated photocatalytic reactions and has been identified as the rate‐determining step in many cases. This review article summarizes critical insights concerning plasmon‐triggered bond‐cleaving mechanisms gained through combined experimental and computational efforts over the past decade or so, elaborating on how the plasmon‐derived physiochemical effects, metal–adsorbate interactions, and local chemical environments profoundly influence chemoselective bond‐cleaving processes in a diverse set of molecular adsorbates ranging from small diatomic molecules to aliphatic and aromatic organic compounds. As demonstrated by several noteworthy examples, insights gained from fundamental mechanistic studies lay a critical knowledge foundation guiding rational design of nanoparticle–adsorbate systems with desired plasmonic molecule‐scissoring functions for targeted applications, such as controlled release of molecular cargos, surface coating of solid‐state materials, and selective bond activation for polymerization reactions. Plasmon ; Nanotechnology ; Bond cleavage ; Molecule ; Materials science ; Nanoparticle ; Photocatalysis ; Rational design ; Chemical bond ; Photochemistry ; Chemical physics ; Chemistry ; Catalysis ; Organic chemistry ; Optoelectronics Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Photocatalysis Techniques ; Copper-based nanomaterials and applications
Authors: Lena Zeroug-Metz | Sangeun Lee
Source: Drug Delivery and Translational Research (review, 2024-07-15)
Field: Chemistry — Organic Chemistry

Biodynamers: applications of dynamic covalent chemistry in single-chain polymer nanoparticles Dynamic Covalent Chemistry (DCC) enables the development of responsive molecular systems through the integration of reversible bonds at the molecular level. These systems are thermodynamically stable and capable of undergoing various molecular assemblies and transformations, allowing them to adapt to changes in environmental conditions like temperature and pH. Introducing DCC into the field of polymer science has led to the design of Single-Chain Nanoparticles (SCNPs), which are formed by self-folding via intramolecular crosslinking mechanisms. Defined by their adaptability, SCNPs mimic biopolymers in size and functionality. Biodynamers, a subclass of SCNPs, are specifically designed for their stimuli-responsive and tunable, dynamic properties. Mimicking complex biological structures, their scope of application includes target-specific and pH-responsive drug delivery, enhanced cellular uptake and endosomal escape. In this manuscript, we discuss the integration of DCC for the design of SCNPs, focusing particularly on the characteristics of biodynamers and their biomedical and pharmaceutical applications. By underlining their potential, we highlight the factors driving the growing interest in SCNPs, providing an overview of recent developments and future perspectives in this research field. Nanotechnology ; Nanoparticle ; Drug delivery ; Intramolecular force ; Chemistry ; Covalent bond ; Single chain ; Polymer ; Materials science ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Supramolecular Chemistry and Complexes ; Synthetic Organic Chemistry Methods
Authors: Kazem Karami | Ahdieh Keshmiri | Mohammad Rezayat | Mohammad T. Jafari | Sedigheh Abedanzadeh
Source: Heliyon (article, 2024-02-01)
Field: Chemistry — Analytical Chemistry

Synthesis and characterization of MoS2–COOH/gly/Mn nanocomposite as an efficient adsorbent for Ultra-trace determination of trifluralin herbicide The world is confronting a severe water crisis. To clean up water from heavy metals, microorganisms, chemicals, and other types of pollutants, nanocomposites have been receiving great attention specifically due to the high surface area affording to work effectually even at low concentrations. In this research, we synthesized a new amino acid-modified MoS<sub>2</sub> nanocomposite by chemically immobilizing Mn (II). The synthesized absorbent MoS<sub>2</sub>-COOH/gly/Mn was identified by thermogravimetric analysis (TGA), nitrogen adsorption measurement, X-ray diffraction (XRD), analysis of energy dispersive X-ray mapping (EDAX and MAP), field emission scanning electron microscopy (FE-SEM), and Fourier Transform Infrared spectrometry (FT-IR). The nanocomposite was employed as an adsorbent through the solid phase microextraction (SPME) method while trifluralin herbicide was chosen as a model compound. For the monitoring of trifluralin molecules, we employed an ion mobility spectrometry apparatus featuring a corona discharge ionization source. The SPME method's effectiveness was examined by investigating the stirring rate and extraction time as two crucial parameters, aiming to achieve trace analysis of trifluralin. Under the optimized condition of the trifluralin extraction, the coefficient (R<sup>2</sup>) and linear dynamic range (LDR) correlation were obtained at 0.9961 and 0.5-10 μg L<sup>-1</sup>, respectively. Relative recovery values the described approach were obtained in the span of 96-97% for agricultural wastewater samples. The quantification (LOQ) and limit of detection (LOD) were calculated at 0.5 and 0.15 μg L<sup>-1</sup>, respectively. The proposed nanocomposite absorbent has the capability to be applied as an efficient material for the extraction of trifluralin herbicide from different solutions. Trifluralin ; Nanocomposite ; Thermogravimetric analysis ; Adsorption ; Fourier transform infrared spectroscopy ; Detection limit ; Extraction (chemistry) ; Materials science ; Nuclear chemistry ; Analytical Chemistry (journal) ; Chemistry ; Chemical engineering ; Chromatography ; Nanotechnology ; Organic chemistry Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors
Authors: Jan-Willem D. Paats | Naomi M. Hamelmann | Jos M. J. Paulusse
Source: Journal of Controlled Release (article, 2024-07-14)
Field: Chemistry — Organic Chemistry

Dual-reactive single-chain polymer nanoparticles for orthogonal functionalization through active ester and click chemistry Glucose has been extensively studied as a targeting ligand on nanoparticles for biomedical nanoparticles. A promising nanocarrier platform are single-chain polymer nanoparticles (SCNPs). SCNPs are well-defined 5-20 nm semi-flexible nano-objects, formed by intramolecularly crosslinked linear polymers. Functionality can be incorporated by introducing labile pentafluorophenyl (PFP) esters in the polymer backbone, which can be readily substituted by functional amine-ligands. However, not all ligands are compatible with PFP-chemistry, requiring different ligation strategies for increasing versatility of surface functionalization. Here, we combine active PFP-ester chemistry with copper(I)-catalyzed azide alkyne cycloaddition (CuAAC) click chemistry to yield dual-reactive SCNPs. First, the SCNPs are functionalized with increasing amounts of 1-amino-3-butyne groups through PFP-chemistry, leading to a range of butyne-SCNPs with increasing terminal alkyne-density. Subsequently, 3-azido-propylglucose is conjugated through the glucose C1- or C6-position by CuAAC click chemistry, yielding two sets of glyco-SCNPs. Cellular uptake is evaluated in HeLa cancer cells, revealing increased uptake upon higher glucose-surface density, with no apparent positional dependance. The general conjugation strategy proposed here can be readily extended to incorporate a wide variety of functional molecules to create vast libraries of multifunctional SCNPs. Click chemistry ; Chemistry ; Nanocarriers ; Surface modification ; Combinatorial chemistry ; Nanoparticle ; Conjugated system ; Alkyne ; Polymer ; Cycloaddition ; Ligand (biochemistry) ; Bioconjugation ; Polymer chemistry ; Drug delivery ; Organic chemistry ; Nanotechnology ; Catalysis ; Materials science Click Chemistry and Applications ; Advanced Polymer Synthesis and Characterization ; Nanoparticle-Based Drug Delivery