jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Liyao Cao | Hongchang Wang | Hua Shen | Ruiliu Wang | Fumei Wang | Guangbiao Xu
Source: Research Square (preprint, 2021-12-08)
Field: Materials Science — Polymers and Plastics

Adsorption Performance of Human-like Collagen by Alkali-modified Kapok Fiber: A Kinetic, Equilibrium, and Mechanistic Investigation Abstract Collagen-based dressings achieve excellent repair of the skin during metical cosmetology, which has received a lot of attention recently. Although great progress has been made on using biomass fiber as dressing carrier, more research is required on developing novel biomass fibers because of the limitations of (i.e., high cost and complex processing) of existing materials. In this study, the adsorption behaviors of two human-like collagen were studied by examining the Kapok fiber that was modified using alkali consisting of various amounts of the mass fraction. Results show that the alkali-modified Kapok fiber surface becomes rough with vertically arranged grooves, and the cross-section depicts the hollow cavity structure. The composition analysis of alkali modified Kapok shows that alkali dissolves part of the hemicellulose and lignin. Additionally, the surface energy rises sharply and the water contact angle changed from hydrophobic to hydrophilic. The adsorption amount of raw Kapok fiber is around 0.6g/g, which accounts for only one twenty-first of the adsorption amount of alkali-treated Kapok (around 12.6g/g), while the equilibrium adsorption amount was not sensitive to alkali concentration. The kinetics of human-like collagen followed both Quasi first and Quasi second order kinetic model, implying that the adsorption process where characterized by both physisorption and chemisorption. Finally, characterization of the AKF-2 coupled with the studies based on the inter-particle diffusion model showed a three-step of human-like collagen diffusion consisting of surface diffusion, inter-fiber diffusion and fiber' hollow cavity diffusion. Our results demonstrate a perfect high absorption performance of Kapok fiber providing a potential for application of collagen-base dressings. Adsorption ; Alkali metal ; Chemical engineering ; Fiber ; Diffusion ; Physisorption ; Chemisorption ; Materials science ; Chemistry ; Composite material ; Organic chemistry ; Thermodynamics Textile materials and evaluations ; Collagen: Extraction and Characterization ; Silk-based biomaterials and applications
Authors: Elham Alkhammash | Ivan L’Heureux | Catherine E. Morris | Béla Joós
Source: Biophysical Journal (article, 2021-02-01)
Field: Chemistry — Electrochemistry

Reaction-Diffusion Modeling to Assess what Limits Effective Acetylcholine Fluctuations at High Frequency Cholinergic Electroplaques Acetylcholine ; Torpedo ; Cholinergic ; Acetylcholine receptor ; Chemistry ; Electric organ ; Biophysics ; Neuromuscular junction ; Acetylcholinesterase ; Neuroscience ; Receptor ; Endocrinology ; Biology ; Biochemistry Electrochemical Analysis and Applications ; Neuroscience and Neural Engineering ; Neural dynamics and brain function
Authors: Samuel W. Holder | Samuel C. Grant | Hadi Mohammadigoushki
Source: Langmuir (preprint, 2021-03-18)
Field: Chemistry — Organic Chemistry

Nuclear Magnetic Resonance Diffusometry of Linear and Branched Wormlike Micelles Diffusion studies using nuclear magnetic resonance (NMR) spectroscopy were conducted on two model surfactant solutions of cetyltrimethylammonium bromide/sodium salicylate (CTAB/NaSal) and cetylpyridinium chloride/sodium salicylate (CPCl/NaSal). By increasing the salt-to-surfactant concentration ratio, these systems display two peaks in the zero-shear viscosity and relaxation time, which are indicative of transitions from linear to branched micellar networks. The goal of this work is to assess the sensitivity of NMR diffusometry to different types of micellar microstructures and identify the mechanism(s) of surfactant self-diffusion in micellar solutions. At low salt-to-surfactant concentration ratios, for which wormlike micelles are linear, the surfactant self-diffusion is best described by a mean squared displacement, <i>Z</i><sup>2</sup>, that varies as <i>Z</i><sup>2</sup> ∝ <i>T</i><sub>diff</sub><sup>0<i>.</i>5</sup>, where <i>T</i><sub>diff</sub> is the diffusion time. As the salt concentration increases to establish branched micelles, <i>Z</i><sup>2</sup> ∝ <i>T</i><sub>diff</sub>, indicating a Brownian-like self-diffusion of surfactant molecules in branched micelles. This result indicates that NMR diffusometry is capable of differentiating various types of micellar microstructures. In addition, the self-diffusion coefficient of the surfactant molecules in linear and branched micelles are determined, for the first time, by comparing the existing restricted diffusion models and are shown to be much slower than the diffusion of proton molecules in the bulk. Moreover, in linear and moderately branched wormlike micelles, the dominant mechanism of surfactant self-diffusion is through the curvilinear diffusion of the surfactant molecules along the contour length of the micelles, whereas in the branched micelles, before the second viscosity maxima, the surfactant self-diffusion could arise from a combination of micellar breakage, exchange between micelles and/or the bulk. Micelle ; Pulmonary surfactant ; Chemistry ; Diffusion ; Bromide ; Viscosity ; Molecular diffusion ; Molecule ; Chemical engineering ; Analytical Chemistry (journal) ; Organic chemistry ; Materials science ; Aqueous solution ; Thermodynamics ; Composite material Surfactants and Colloidal Systems ; NMR spectroscopy and applications ; Thermodynamic properties of mixtures
Authors: Tobias G. Brevé | Huanhuan Liu | Antonia G. Denkova | Rienk Eelkema
Source: ChemRxiv (preprint, 2021-05-24)
Field: Materials Science — Polymers and Plastics

Gamma Radiation Induced Contraction of Alkyne Modified Polymer Hydrogels We describe the gamma radiation induced crosslinking of alkyne-modified dextran polymer gels. Crosslinking of the alkyne moieties leads to gel contraction and fusion with other gel objects, and can be used for controlled release. Alkyne ; Contraction (grammar) ; Dextran ; Self-healing hydrogels ; Polymer ; Polymer chemistry ; Chemistry ; Materials science ; Biophysics ; Organic chemistry ; Catalysis Polymer Nanocomposite Synthesis and Irradiation ; Silicone and Siloxane Chemistry
Authors: Adam J. Hauser
Source: Scholarworks (University of Massachusetts Amherst) (article, 2021-04-01)
Field: Materials Science — Materials Chemistry

Nanocomposite Polymer Networks for Reconfigurable Materials This thesis describes new synthetic platforms for a series of functional polymeric materials containing hydrophilic and/or zwitterionic moieties as pendent groups. The hydrophilicity, biocompatibility, and degradability of these polymers hinged on innovative monomer designs and adaption of appropriate polymerization strategies including controlled radical polymerization, metathesis polymerization, and ring-opening polymerization. Novel, functional sulfobetaine polymers having functional groups (i.e, alkenes and alkynes) directly attached to the zwitterionic moieties were prepared and shown to stabilize oil-water interfaces, allowing for interfacial crosslinking to afford robust polymer capsules. This represents the first example of inserting functionality directly into the zwitterionic moieties of polymer zwitterions, allowing one to achieve a much greater extent of functionality than is possible in zwitterion-containing copolymers. Functional oil-in-water droplets presenting reactive functionalities at the oil-water interface were realized by inserting reactive functional groups (i.e, activated ester and catechol) into amphiphilic polymer surfactants containing a hydrophobic polyolefin backbone and pendent hydrophilic phosphorylcholine groups by ring-opening metathesis polymerization (ROMP). Efforts in manipulating polymer backbone structures led to the development of electronically active polymer zwitterions, affording first examples of polymer zwitterions with conjugated polyacetylene-like backbones synthesized by metathesis cyclopolymerization. Redox-responsive disulfides and hydrolyzable phosphoesters were integrated successfully into polyolefins by ROMP with cyclic olefins containing degradable groups, while functional copolyesters featuring pendent alkene and alkyne groups amendable for post-polymerization modification were synthesized by organocatalyzed ring-opening polymerization. Finally, a simple method to immobilize poly(phosphorylcholine methacrylate) onto various surfaces was developed by catecholamine chemistry, which afforded a versatile and robust route to antifouling coating that successfully resisted bacterial and oil fouling. Nanocomposite ; Polymer ; Materials science ; Polymer science ; Composite material Machine Learning in Materials Science ; Additive Manufacturing and 3D Printing Technologies ; Modular Robots and Swarm Intelligence
Authors: Arkaprabha Giri | Subha Biswas | Tapas Kumar Dutta | MD. WASEEM HUSSAIN | Abhijit Patra
Source: ChemRxiv (preprint, 2021-03-30)
Field: Materials Science — Materials Chemistry

Nanospheres to Nanosheets: Unfolding the Morphological Influence of Microporous Organic Polymers on Micropollutants Removal Nanoporous organic polymers with distinct morphologies are of immense interest for a broad spectrum of applications ranging from catalysis to molecular separation, energy storage, and energy conversion. However, developing facile and versatile methodologies to obtain well-orchestrated morphologies along with high specific surface area pertinent to a specific application is still a formidable challenge. The design of the task-specific networks can be benefitted through further analysis of subtle variations in the polymerization conditions. Herein, we have critically examined the fabrication of triptycene-based hypercrosslinked polymers (HCPs), exhibiting contrasting morphologies developed through three distinct polymerization routes. Astonishingly, a remarkable variation of nanostructured morphology of irregular aggregates, nanospheres, and nanosheets was noticeable in the resultant network polymers through Friedel-Crafts crosslinking using dimethoxymethane as an external crosslinker, Scholl coupling, and solvent knitting using dichloromethane as an external crosslinker and solvent, respectively. The dramatic role of reaction temperature, catalysts, and solvents driving the formation of specific nanostructured HCPs was elucidated. Mechanistic investigations coupled with spectroscopic and microscopic studies revealed that the 2D-nanosheets of highly porous solvent-knitted HCP (SKTP, SBET: 2385 m2 g-1) evolved through the hierarchical self-assembly of rigid nanospheres into nanoribbons followed by the formation of nanosheets. We further demonstrated a structure-activity correlation of the pristine as well as post-synthetically sulfonated HCPs for the removal of a gamut of organic micropollutants from water. Solvent knitted triptycene polymer (SKTP) and its sulfonated derivative (SKTPS, SBET: 1444 m2 g-1) owing to high specific surface areas, excellent dispersity in water, and better accessibility of analytes through 2D-sheet like morphology exhibited ultrafast sequestration (30 s to 5 min) of an extensive array of persistent organic micropollutants, including ionic dyes, plastic components, steroids, antibiotic drugs, and herbicides with excellent recyclability. The current study holds the promise that a delicate control over the morphologies of nanoporous polymers by tuning the fabrication conditions paves the way for the development of advanced porous materials for environmental remediation. Triptycene ; Polymer ; Polymerization ; Materials science ; Microporous material ; Dispersity ; Nanoporous ; Solvent ; Chemical engineering ; Catalysis ; Nanotechnology ; Polymer chemistry ; Chemistry ; Organic chemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport
Authors: Yu Liu | Yan Wang | Xiao-Sa Zhang | Wenze Li | Ai‐Ai Yang | Jian Luan | Hong-Zhu Liu | Zhonggang Wang
Source: Research Square (preprint, 2021-09-15)
Field: Chemistry — Inorganic Chemistry

Synthesis of a magnetic C@Co material via the design of a MOF precursor for efficient and selective adsorption of water pollutants Abstract 3D metal-organic frameworks (MOFs) can be appropriate templates for the fabrication of nanomaterials due to they have active sites exposed on the channel or surface, which thus provide them with improved catalytic performance. In this study, a 3D cobalt-based MOF [Co(H 2 bpta)] n (Co-MOF), where H 4 bpta denotes 2,2′,4,4′-biphenyltetracarboxylic acid, has been constructed with the use of a ligand with a high carbon content. On this basis, a 2D magnetic carbon-coated cobalt nanoparticle composite (C@Co) was prepared by using the title MOF. Magnetic C@Co can readily absorb dye from the solution and can thus act as an inexpensive and fast-acting adsorbent. Moreover, we have explored the adsorption isotherms, kinetics and thermodynamics of the anion dyes in detail. The adsorption capacity of the C@Co for investigated methyl orange (MO) and congo red (CR) dyes were 773.48 and 495.66 mg g − 1 , respectively. It is noteworthy that MO adsorption is higher in existing materials. Thermodynamic studies suggest that the adsorption processes are spontaneous and exothermic. This study opens a new insight into the synthesis and application of carbon-based materials that enable the selective removal of organic dyes. Adsorption ; Pollutant ; Chemical engineering ; Environmental chemistry ; Chemistry ; Materials science ; Inorganic chemistry ; Environmental science ; Organic chemistry ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Mercury impact and mitigation studies
Authors: Mehmet Harbi Çalımlı
Source: Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi (article, 2021-04-14)
Field: Chemistry — Organic Chemistry

Maxilon Blue 5G Removal by Bimetallic Pt/Co Loaded on GO Material under Ultrasonic Conditions from Aquatic Medium Bimetallic Pt/Co loaded on GO adsorbance was produced following a series of simple hydrothermal methods. The produced bimetallic Pt/Co loaded GO material was used in the maxilon blue 5G removal (MB 5G) and investigated its adsorption studies. The adsorption studies on removal of MB 5G using the bimetallic Pt/Co loaded on GO material were carried out performing different experimental conditions like ultrasonic irradiation time (1-120 min), temperature (24-55 oC), initial MB 5G concentration (0.7.10-5- 1.5.10-5 M), and pH (4- 10) to detect optimum removal conditions. The reaction kinetics were investigated by pairing the so-called first-order pseudo-second-order and intraparticle diffusion in the adsorption process study. In addition, enthalpy, entropy and Gibbs free energy, and thermodynamic activation functions were investigated in order to understand the adsorption mechanism. These data showed that the bimetallic Pt/Co loaded on GO material can be used as an effective nano adsorbent for the removal of MB 5G as an organic pollutant in an aquatic medium. Bimetallic strip ; Adsorption ; Enthalpy ; Gibbs free energy ; Materials science ; Nuclear chemistry ; Chemistry ; Activation energy ; Kinetics ; Chemical engineering ; Physical chemistry ; Catalysis ; Thermodynamics ; Organic chemistry ; Physics Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Yuying Hu | Susu Liu | Min Qiu | Xiaohuan Zheng | Xiaoming Peng | Hongling Dai | Fengping Hu | Xu Li | Gaoping Xu
Source: Research Square (preprint, 2021-12-20)
Field: Materials Science — Materials Chemistry

Lysine-Functionalized Layered Double Hydroxides For The Antibiotics’ Efficient Removal: Controllable Fabrication Via BBD Model And Removing Mechanism Abstract Ly @ FeZn layered double hydroxides (LDHs) controllable fabrication based on Box-Behnken Design (BBD) model was fabricated, and presented stable and efficient removal performance for Ciprofloxacin (CIP), Norfloxacin (NOR) and Ofloxacin (OFL) removal. It should be noted that Ly @ FeZn had different adsorption behavior towards CIP, NOR and OFL. Furthermore, the Ly @ FeZn was characterized by SEM, XRD, FT-IR and XPS. Results revealed the optimized fabrication condition (temperature of 60 °C, Fe / Zn molar ratio of 0.5 and the lysine dosage of 5.8 mmol) for the removing efficient. The highest adsorption capacity of CIP, NOR and OFL were 193.83, 190.20 and 62.12 mg/g, respectively. Adsorption kinetics of both CIP and NOR were well simulated with the pseudo-first-order kinetic model, while that of OFL was well-described by the pseudo-second-order. Moreover, the adsorption thermodynamics of CIP and NOR on Ly @ FeZn indicated that the adsorption processes were exothermal, feasible and spontaneous. It was worth noting that the adsorption mechanism of Ly @ FeZn for CIP and NOR were the synergistic reaction of electrostatic attraction, chemical bonding and flocculation. On the other side, the adsorption behavior of OFL was relatively low, and the adsorption mechanism was only electrostatic attraction. Adsorption ; X-ray photoelectron spectroscopy ; Fabrication ; Layered double hydroxides ; Norfloxacin ; Chemical engineering ; Kinetics ; Chemistry ; Materials science ; Flocculation ; Nuclear chemistry ; Ciprofloxacin ; Organic chemistry ; Antibiotics Layered Double Hydroxides Synthesis and Applications ; Nanomaterials for catalytic reactions ; Covalent Organic Framework Applications
Authors: Aria Ahmed-Cox | Elvis Pandžić | Stuart T. Johnston | Céline Heu | John McGhee | Friederike M. Mansfeld | Edmund J. Crampin | Thomas P. Davis | Renée Whan | Maria Kavallaris
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-10-28)
Field: Materials Science — Biomaterials

Spatial-temporal analysis of nanoparticles in live tumor spheroids impacted by cell origin and density ABSTRACT Nanoparticles hold great preclinical promise in cancer therapy but continue to suffer attrition through clinical trials. Advanced, three dimensional (3D) cellular models such as tumor spheroids can recapitulate elements of the tumor environment and are considered the superior model to evaluate nanoparticle designs. However, there is an important need to better understand nanoparticle penetration kinetics and determine how different cell characteristics may influence this nanoparticle uptake. A key challenge with current approaches for measuring nanoparticle accumulation in spheroids is that they are often static, losing spatial and temporal information which may be necessary for effective nanoparticle evaluation in 3D cell models. To overcome this challenge, we developed an analysis platform, termed the Determination of Nanoparticle Uptake in Tumor Spheroids (DONUTS), which retains spatial and temporal information during quantification, enabling evaluation of nanoparticle uptake in 3D tumor spheroids. Outperforming linear profiling methods, DONUTS was able to measure silica nanoparticle uptake to 10 µm accuracy in both isotropic and irregularly shaped cancer cell spheroids. This was then extended to determine penetration kinetics, first by a forward-in-time, center-in-space model, and then by mathematical modelling, which enabled the direct evaluation of nanoparticle penetration kinetics in different spheroid models. Nanoparticle uptake was shown to inversely relate to particle size and varied depending on the cell type, cell stiffness and density of the spheroid model. The automated analysis method we have developed can be applied to live spheroids in situ , for the advanced evaluation of nanoparticles as delivery agents in cancer therapy. Spheroid ; Nanoparticle ; Penetration (warfare) ; Kinetics ; Nanotechnology ; Materials science ; Computer science ; Chemistry ; Physics ; Mathematics ; In vitro Nanoparticle-Based Drug Delivery ; Field-Flow Fractionation Techniques ; 3D Printing in Biomedical Research
Authors: Gladys Rocío Cepeda Marín
Source: Universidad Industrial de Santander (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Synthesis and evaluation of the interfacial properties of a dodecylamine functionalized graphene oxide nanofluid with potential application in enhanced hydrocarbon recovery Los nanofluidos a base de óxido de grafeno (OG) han sido probados experimentalmente en el recobro mejorado químico de hidrocarburos como una alternativa para incrementar el factor de recuperación de aceite. La funcionalización del OG con alquilaminas ha permitido modificar su mojabilidad, favoreciendo su afinidad a solventes no polares. En esta investigación, se sintetizó OG por el método Hummers modificado y se funcionalizó con dodecilamina (OGDDA) mediante reacciones de amidación y sustitución nucleofílica. Los nanomateriales obtenidos se caracterizaron por espectroscopía FTIR, Raman y Análisis Termogravimétrico (TGA). Se estableció la dispersabilidad del OG y del OGDDA en agua y en tolueno mediante la prueba de botellas. Se determinó la mojabilidad de los nanomateriales midiendo el ángulo de contacto nanomaterialagua por el método de la gota sésil. Se midió la tensión interfacial en sistemas tolueno/nanomaterial/agua a diferentes pH por el método de la gota colgante. Se establecieron las propiedades emulsificantes de los nanomateriales en dichos sistemas y se evaluó su estabilidad coloidal en las emulsiones Pickering mediante la prueba de botellas y el potencial Zeta. Mediante el TGA, se estableció que la temperatura de descomposición fue de 244°C para el OG y de 496°C para el OGDDA. En la prueba de botellas se evidenció que el OG y el OGDDA tienen mayor dispersabilidad en agua y en tolueno respectivamente. El valor obtenido para el ángulo de contacto OGagua fue de 58,5° y para el OGDDAagua de 100,7°. Los resultados obtenidos por el método de la gota colgante mostraron que el OGDDA redujo la tensión interfacial a 23,4 mN/m en el sistema tolueno/agua a pH 7 con concentración crítica de 1320 ppm. El OG y el OGDDA formaron emulsiones Pickering, sin embargo, sólo las del OGDDA se mantuvieron estables a 30 Hydrocarbon ; Oxide ; Microemulsion ; Raman spectroscopy Pickering emulsions and particle stabilization ; Enhanced Oil Recovery Techniques ; Surface Modification and Superhydrophobicity
Authors: Ismail M. Ahmed | A. A. Helal | R. Gamal | Salah aboEinien | Abdullah A. Helal
Source: Research Square (preprint, 2021-12-06)
Field: Chemistry — Inorganic Chemistry

Sorption of Uranium (VI) From Aqueous Solution Using Nanomagnetite Particles; Singly and Coated With Humic Acid Abstract Magnetite nanoparticles (Fe 3 O 4 ) and humic acid coated magnetite nanoparticles (Fe 3 O 4 /HA) were investigated for the removal of U(VI) from aqueous solution. Batch sorption experiments were studied as a function contact time, adsorbent mass, U(VI) concentration and pH. The sorption kinetic data follow the pseudo-second order while the isotherms are found to obey Langmuir model with maximum capacity (Q max ) of 230, 196 mg/g for Fe 3 O 4 and Fe 3 O 4 /HA, respectively. The study reveals that humic acid decreases the sorption capacity due to the formation of a polyanionic organic coating and thus altering the surface properties of the particles and reduces the magnetite aggregation and stabilizes the magnetite suspension. Sorption ; Humic acid ; Aqueous solution ; Magnetite ; Adsorption ; Uranium ; Langmuir adsorption model ; Langmuir ; Chemistry ; Nuclear chemistry ; Chemical engineering ; Nanoparticle ; Inorganic chemistry ; Materials science ; Organic chemistry ; Metallurgy Radioactive element chemistry and processing ; Geochemistry and Elemental Analysis ; Minerals Flotation and Separation Techniques