jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Manel Mansour | Mouhieddinne Guergueb | Nadhem Missaoui | Celia Castillo | Enrique Guitierrez Puebla | Brahim Ayed | Houcine Barhoumi | Umit B. Demirci | Hamza Kahri
Source: ChemistrySelect (article, 2024-04-16)
Field: Chemistry — Inorganic Chemistry

The Co‐UMO‐1 Metal Organic Framework: Solvothermal Synthesis of [Co <sub>3</sub> {μ <sub>3</sub> ‐O} <sub>2</sub> (C <sub>14</sub> H <sub>8</sub> O <sub>6</sub> S) <sub>2</sub> (H <sub>2</sub> O) <sub>3</sub> (C <sub>2</sub> H <sub>5</sub> OH)] ⋅ 2H <sub>2</sub> O, Characterizations, and Application in Methylene Blue Removal Abstract The new Co‐based MOF (also called Co‐UMO‐1 MOF with structure of [Co 3 {μ 3 ‐O} 2 (C 14 H 8 O 6 S) 2 (H 2 O) 3 (C 2 H 5 OH)] ⋅ 2H 2 O) is solvothermally synthesized in a mixture of water and ethanol at 170 °C for 3 days. The as‐recovered pink‐colored stick‐like crystals crystallizes in the monoclinic crystal system P21/c (n° 13), which consists of three crystallographically independent Co(II) elements that adopt the octahedral coordination geometry. The MOF was also successfully characterized by FTIR, SEM, BET, Zeta potential and UV‐Vis spectroscopy, as well as TG and DSC analyses. At pH 7 and 25 °C, Co‐UMO‐1 MOF shows the maximum of its capacity of adsorption (31.5 mgr gr −1 ) of the methylene blue (MB) dye, which corresponds to an adsorption efficiency of 79 %. The adsorption of MB follows the pseudo‐second order kinetic model, and occurs via the formation of a monolayer onto the surface of the MOF, in line with the Langmuir isotherm model. Adsorption efficiencies higher than 79 % have not been achieved with Co‐UMO‐1 MOF because of electrostatic interactions between the MOF surface and the MB molecules, which has been confirmed by the Temkin isotherm model. In the aforementioned conditions, Co‐UMO‐1 MOF can be reused after regeneration, showing an adsorption efficiency of 76.2 % after five cycles, which is a promising result. Adsorption ; Monoclinic crystal system ; Monolayer ; Langmuir adsorption model ; Octahedron ; Materials science ; Fourier transform infrared spectroscopy ; Metal-organic framework ; Crystallography ; Langmuir ; Single crystal ; Crystal structure ; Chemistry ; Physical chemistry ; Chemical engineering ; Nanotechnology Metal-Organic Frameworks: Synthesis and Applications ; X-ray Diffraction in Crystallography ; Adsorption and biosorption for pollutant removal
Authors: António Benjamim Mapossa | Afonso Henrique da Silva Júnior | Washington Mhike | Uttandaraman Sundararaj | Carlos Rafael Silva de Oliveira
Source: Macromolecular Materials and Engineering (article, 2024-07-15)
Field: Materials Science — Biomaterials

Electrospun Polymeric Nanofibers for Malaria Control: Advances in Slow‐Release Mosquito Repellent Technology Abstract The textile industry comprises technologies that transform synthetic or natural fibers into yarn, cloth, and felt for manufacturing clothing, upholstery, and household linens. The major public health threat in tropical and subtropical countries is mosquito‐borne malaria. Nowadays, the demand for insect repellent‐based textiles is continuously rising, as they are used for protection against diseases transmitted by mosquitoes. The present work reviews studies on the fabrication of insect repellent containing electrospun polymeric nanofibers as principal tools for protecting people against mosquito bites. Electrospinning technology is a remarkably facile technique for fabricating polymeric nanofiber devices. The technique is outlined and elucidated. The performance of insect repellent‐based polymeric nanofibers against mosquitoes is carefully reported and comprehensively reviewed in‐depth. Furthermore, the progress made on the mathematical modeling of the release rate of repellents through polymeric nanofiber devices is reviewed. The reviewed studies demonstrate that repellents can be released slowly from electrospun nanofibers, increasing the product's protection period against insects. The reviewed works suggest that electrospinning technology has led to an effective and facile methodology for fabricating functional nanofiber textiles with insect repellent. The reviewed studies showed that product‐based repellents can be effective not only against malaria but also against other mosquito‐borne diseases. Materials science ; Nanofiber ; Nanotechnology ; Malaria ; Electrospinning ; Composite material ; Polymer ; Biology Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics
Authors: Ehab A. Okba | Moamen F. Rabea | Mohamed Elsheikh | Eman F. Aboelfetoh
Source: Scientific Reports (article, 2024-07-17)
Field: Chemistry — Organic Chemistry

Design of silver-zinc-nickel spinel-ferrite mesoporous silica as a powerful and simply separable adsorbent for some textile dye removal Silver-zinc-nickel spinel ferrite was prepared by the co-precipitation procedure with the precise composition Ag<sub>0.1</sub>Zn<sub>0.4</sub>Ni<sub>0.5</sub>Fe<sub>2</sub>O<sub>4</sub> for bolstering pollutant removal effectiveness while upholding magnetic properties and then coated with a mesoporous silica layer. The surface characteristics and composition of Ag<sub>0.1</sub>Zn<sub>0.4</sub>Ni<sub>0.5</sub>Fe<sub>2</sub>O<sub>4</sub>@mSiO<sub>2</sub> were confirmed using EDX, FT-IR, VSM, XRD, TEM, SEM, and BET methods. The surface modification of Ag-Zn-Ni ferrite with a silica layer improves the texture properties, where the specific surface area and average pore size of the spinel ferrite rose to 180 m<sup>2</sup>/g and 3.15 nm, respectively. The prepared spinel ferrite@mSiO<sub>2</sub> has been utilized as an efficient adsorbent for eliminating methyl green (MG) and indigo carmine (IC) as models of cationic and anionic dyes from wastewater, respectively. Studying pH, Pzc, adsorbent dosage, dye concentration, and temperature showed that efficient removal of MG was carried out in alkaline media (pH = 12), while the acid medium (pH = 2) was effective for IC removal. Langmuir isotherm and pseudo-second-order kinetics were found to be good fits for the adsorption data. Both dyes were adsorbed in a spontaneous, endothermic process. A possible mechanism for dye removal has been proposed. The adsorbent was effectively recovered and reused. Zinc ; Spinel ; Adsorption ; Ferrite (magnet) ; Mesoporous silica ; Nickel ; Textile ; Zinc ferrite ; Mesoporous material ; Materials science ; Chemical engineering ; Metallurgy ; Chemistry ; Composite material ; Organic chemistry Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Environmental remediation with nanomaterials
Authors: Mithun Madhusudanan | Mithun Chowdhury
Source: ACS Polymers Au (review, 2024-07-18)
Field: Materials Science — Materials Chemistry

Advancements in Novel Mechano-Rheological Probes for Studying Glassy Dynamics in Nanoconfined Thin Polymer Films The nanoconfinement effects of glassy polymer thin films on their thermal and mechanical properties have been investigated thoroughly, especially with an emphasis on its altered glass transition behavior compared to bulk polymer, which has been known for almost three decades. While research in this direction is still evolving, reaching new heights to unravel the underlying physics of phenomena observed in confined thin polymer films, we have a much clearer picture now. This, in turn, has promoted their application in miniaturized and functional applications. To extract the full potential of such confined films, starting from their fabrication, function, and various applications, we must realize the necessity to have an understanding and availability of robust characterization protocols that specifically target thin film thermo-mechanical stability. Being nanometer-sized in thickness, often atop a solid substrate, direct mechanical testing on such films becomes extremely challenging and often encounters serious complexity from the dominating effect of the substrate. In this review, we have compiled together a few important novel and promising techniques for mechano-rheological characterization of glassy polymer thin films. The conceptual background involved in each technique, constitutive equations, methodology, and current status of research are touched upon following a pedagogical tutorial approach. Further, we discussed each technique's success and limitations, carefully covering the puzzling or contradicting observations reported within the broad nexus of glass transition temperature-viscosity-modulus-molecular mobility (including diffusion and relaxation). Rheology ; Materials science ; Polymer ; Dynamics (music) ; Nanotechnology ; Thin film ; Polymer science ; Chemical physics ; Composite material ; Chemistry ; Physics Material Dynamics and Properties ; Rheology and Fluid Dynamics Studies ; Liquid Crystal Research Advancements
Authors: Zhixiang Liu | Yoshitaka Koseki | Ryuju Suzuki | Anh Thi Ngoc Dao | Hitoshi Kasai
Source: Macromolecular Bioscience (article, 2024-11-20)
Field: Materials Science — Biomaterials

Sustained Drug Release from Dual‐Responsive Hydrogels for Local Cancer Chemo–Photothermal Therapy As an exceptional carrier for localized drug delivery to tumors, hydrogels can achieve prolonged drug release through careful design and adjustments, effectively targeting cancer cells and minimizing side effects. This study investigates a novel dual-responsive hydrogel system designed for the delivery of nanomedicines, focusing on drug release and the local antitumor efficacy of SN-38-cholesterol nanoparticles (SN-38-chol NPs) and polydopamine NPs (PDA NPs)/poly(n-isopropylacrylamide) (pNIPAM) hydrogels. By combining the thermosensitive properties of pNIPAM with the near-infrared (NIR) responsiveness of PDA NPs, the hydrogel aims to enhance on-demand drug release. SN-38-chol NPs, known for their stability and small size, are incorporated into the hydrogel to improve drug release dynamics. The investigation reveals a drug release cycle of over three weeks, maintaining sensitivity to both temperature and NIR light for controlled drug release. In vivo studies demonstrate the high tumor growth inhibition performance of the system after photothermal treatment induced by 808 nm NIR light. These results suggest that the drug-carrying hydrogel system holds promise for diverse applications in chemical and physical therapies, including the treatment of malignant wounds, post-surgery wound healing, and direct tumor treatment. This study establishes the potential of SN-38-chol NPs and PDA NPs/pNIPAM hydrogels as effective platforms for chemo-phototherapy. Self-healing hydrogels ; Photothermal therapy ; Drug delivery ; Drug ; Chemistry ; In vivo ; Nanotechnology ; Controlled release ; Photothermal effect ; Poly(N-isopropylacrylamide) ; Drug carrier ; Biomedical engineering ; Biophysics ; Materials science ; Pharmacology ; Polymer ; Medicine ; Polymer chemistry ; Organic chemistry ; Copolymer Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Hydrogels: synthesis, properties, applications
Authors: M. M. Arman
Source: Scientific Reports (article, 2024-07-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Evaluation of the optical and magnetic properties of novel Nd0.9Zn0.1FeO3 perovskite nanoparticles and their adsorption of Pb2+ ions from water Nd<sub>0.9</sub>Zn<sub>0.1</sub>FeO<sub>3</sub> was prepared in a single-phase with an average crystallite size of 25.82 nm using a citrate combustion technique. The energy dispersive X-ray assures the chemical formula of the sample. The elemental mapping of Zn-doped NdFeO<sub>3</sub> illustrates the good homogeneous distribution of the elements in the sample. Nd<sub>0.9</sub>Zn<sub>0.1</sub>FeO<sub>3</sub> has antiferromagnetic properties with weak ferromagnetic components and has good UV absorbance. The values of the band gap for the direct and indirect transitions are 1.473 eV and 1.250 eV, respectively. The adsorption of nickel(II), cobalt(II), chrome(VI), cadmium(II), and lead(II) ions has been studied at pH 7. The highest removal efficiency (η = 73.72%) was observed for the lead ions from water. The current study has examined the kinetics, recoveries, and mechanisms of utilizing Nd<sub>0.90</sub>Zn<sub>0.10</sub>FeO<sub>3</sub> to remove Pb<sup>2+</sup> ions from water. The optimum conditions for the absorbing Pb<sup>2+</sup> are pH 7 and a contact time of 60 min. The Freundlich isotherm model is the best model for the absorption of Pb<sup>2+</sup> ions. While, the pseudo-second-order kinetic model describes the kinetic adsorption data. The sample has a good efficiency for removing Pb<sup>2+</sup> ions from water several times. Crystallite ; Analytical Chemistry (journal) ; Adsorption ; Ion ; Materials science ; Absorbance ; Ferromagnetism ; Chemistry ; Inorganic chemistry ; Physical chemistry ; Crystallography Multiferroics and related materials ; Advanced Condensed Matter Physics ; Iron oxide chemistry and applications
Authors: Bhanjan Debnath | Badri Narayanan Narasimhan | Stephanie I. Fraley | Padmini Rangamani
Source: Soft Matter (article, 2024-01-01)
Field: Materials Science — Biomaterials

Modeling collagen fibril degradation as a function of matrix microarchitecture Collagenolytic degradation is a process fundamental to tissue remodeling. The microarchitecture of collagen fibril networks changes during development, aging, and disease. Such changes to microarchitecture are often accompanied by changes in matrix degradability. In a matrix, the pore size and fibril characteristics such as length, diameter, number, orientation, and curvature are the major variables that define the microarchitecture. <i>In vitro</i>, collagen matrices of the same concentration but different microarchitectures also vary in degradation rate. How do different microarchitectures affect matrix degradation? To answer this question, we developed a computational model of collagen degradation. We first developed a lattice model that describes collagen degradation at the scale of a single fibril. We then extended this model to investigate the role of microarchitecture using Brownian dynamics simulation of enzymes in a multi-fibril three dimensional matrix to predict its degradability. Our simulations predict that the distribution of enzymes around the fibrils is non-uniform and depends on the microarchitecture of the matrix. This non-uniformity in enzyme distribution can lead to different extents of degradability for matrices of different microarchitectures. Our simulations predict that for the same enzyme concentration and collagen concentration, a matrix with thicker fibrils degrades more than that with thinner fibrils. Our model predictions were tested using <i>in vitro</i> experiments with synthetic collagen gels of different microarchitectures. Experiments showed that indeed degradation of collagen depends on the matrix architecture and fibril thickness. In summary, our study shows that the microarchitecture of the collagen matrix is an important determinant of its degradability. Fibril ; Collagen fibril ; Degradation (telecommunications) ; Matrix (chemical analysis) ; Biophysics ; Function (biology) ; Chemistry ; Materials science ; Composite material ; Computer science ; Cell biology ; Biology Collagen: Extraction and Characterization ; Protease and Inhibitor Mechanisms ; Enzyme Production and Characterization
Authors: Mina Alikhani | Ehsan Khoshkalam | Jalal Sadeghi | Laura Bulgariu | Hossein Eshghi
Source: RSC Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Efficient phosphate removal utilizing N, Zn-doped carbon dots as an innovative nanoadsorbent The primary goal of this study is to examine PO<sub>4</sub> <sup>3-</sup> adsorption from aqueous solutions using zinc-doped carbon dots (Zn-N-CDs) as a new adsorbent and cost-effective technique. Zn-N-CDs were produced through a hydrothermal process and subsequently identified using various techniques. The effect of reaction time, temperature, pH, ionic strength, adsorbent dosage, initial PO<sub>4</sub> <sup>3-</sup> concentration, and anion competition (NO<sub>3</sub> <sup>-</sup>, Cl<sup>-</sup>, HCO<sub>3</sub> <sup>-</sup>, and SO<sub>4</sub> <sup>2-</sup>) on PO<sub>4</sub> <sup>3-</sup> adsorption using Zn-N-CDs were investigated. The characterization results depicted that Zn-N-CDs have a spherical structure without obvious aggregation and revealed the amorphous nature of carbon dots with many pores. Zn-N-CDs had a high affinity for adsorbing PO<sub>4</sub> <sup>3-</sup>, reaching equilibrium within 5 minutes. While PO<sub>4</sub> <sup>3-</sup> adsorption reduced with an increase in temperature, it increased with pH and ionic strength. The optimal conditions for PO<sub>4</sub> <sup>3-</sup> adsorption were determined to be pH 8, 100 mM KCl as an ionic strength, and 5 g L<sup>-1</sup> of Zn-N-CDs. The presence of SO<sub>4</sub> <sup>2-</sup> and HCO<sub>3</sub> <sup>-</sup> as competing anions slightly decreased PO<sub>4</sub> <sup>3-</sup> adsorption. Thermodynamic studies revealed that PO<sub>4</sub> <sup>3-</sup> adsorption onto Zn-N-CDs was endothermic, spontaneous, and disordered, as evidenced by Δ<i>G</i>° < 0, Δ<i>H</i>° > 0, and Δ<i>S</i>° > 0. The experimental data fit well with a pseudo-second-order kinetic model (<i>R</i> <sup>2</sup> = 0.999) and the Freundlich isotherm model (<i>R</i> <sup>2</sup> = 0.9754), signifying that PO<sub>4</sub> <sup>3-</sup> adsorption onto Zn-N-CDs occurs through multi-layer and chemi-sorption mechanisms. Overall, Zn-N-CDs indicated a great capability to adsorb high concentrations of PO<sub>4</sub> <sup>3-</sup> across a wide range of pH values, indicating their potential for environmental remediation. Aqueous solution ; Phosphate ; Zinc ; Adsorption ; Doping ; Carbon fibers ; Chemistry ; Inorganic chemistry ; Zinc phosphate ; Materials science ; Nuclear chemistry ; Physical chemistry ; Organic chemistry Carbon and Quantum Dots Applications ; Adsorption and biosorption for pollutant removal ; Advanced Photocatalysis Techniques
Authors: M. Christina Nilavu | T. Leelasree | Himanshu Aggarwal | N. Rajesh
Source: Sustainable Energy & Fuels (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Cobalt-based metal–organic framework for desulfurization of thiophene as a model fuel Increased energy consumption from continued economic expansion generates environmental challenges and health hazards from burning fuel containing sulfur compounds. We explore the effectiveness of a cobalt-based MOF, BITSH-1, as an adsorbent to remove thiophene from model fuel. Flue-gas desulfurization ; Thiophene ; Cobalt ; Environmental science ; Waste management ; Materials science ; Chemistry ; Metallurgy ; Engineering ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Catalysis and Hydrodesulfurization Studies ; Nanomaterials for catalytic reactions
Authors: José D. Mella | Muralidhar Nalabothula | Francisco Muñoz | Karin M. Rabe | Ludger Wirtz | Sobhit Singh | A. Romero
Source: npj 2D Materials and Applications (article, 2024-01-12)
Field: Materials Science — Materials Chemistry

Prediction of BiS2-type pnictogen dichalcogenide monolayers for optoelectronics Abstract In this work, we introduce a 2D materials family with chemical formula MX 2 (M={As, Sb, Bi} and X={S, Se, Te}) having a rectangular 2D lattice. This materials family has been predicted by systematic ab-initio structure search calculations in two dimensions. Using density-functional theory and many-body perturbation theory, we study the structural, vibrational, electronic, optical, and excitonic properties of the predicted MX 2 family. Our calculations reveal that the predicted SbX 2 and BiX 2 monolayers are stable while the As X 2 layers exhibit an in-plane ferroelectric instability. All materials display strong excitonic effects and good optical absorption within the infrared-to-visible range. Hence, these monolayers can harvest solar energy and serve in optoelectronics applications. Furthermore, our results indicate that exfoliation of the predicted MX 2 monolayers from their bulk counterparts is experimentally viable. Pnictogen ; Monolayer ; Density functional theory ; Materials science ; Condensed matter physics ; Infrared ; Ab initio ; Terahertz radiation ; Lattice (music) ; Electronic structure ; Computational chemistry ; Optoelectronics ; Chemistry ; Nanotechnology ; Optics ; Physics 2D Materials and Applications ; MXene and MAX Phase Materials ; Boron and Carbon Nanomaterials Research
Authors: Adrien Donatini | Peggy Georges | Tiphaine Fevre | Laurent Cormier | Daniel R. Neuville
Source: The Journal of Chemical Physics (article, 2024-03-27)
Field: Materials Science — Ceramics and Composites

Investigating cerium redox changes between aluminosilicate glass and melt: A multispectroscopic approach Redox control of glasses is paramount both to their fusion process and to obtaining the desired properties of high technological glasses. However, the link between melting parameters, such as temperature, furnace atmosphere, or quenching rate, and the redox state of the final products is poorly understood. In this work, in situ x-ray absorption near-edge structure (XANES) data at Ce L3-edge data were acquired at high temperatures on cerium-containing sodium aluminosilicate glasses, allowing the determination of thermodynamic constants necessary to predict the cerium redox state over a wide temperature range (900-1500 °C). The results obtained were compared to the Raman spectra of samples quenched at different temperatures. Our findings demonstrate that the quench performed was fast enough to block the cerium oxidation state, meaning the redox measured at room temperature is representative of a high temperature state. This was further verified by room temperature Raman spectroscopy, where a relationship was found between the spectra and melting conditions. Wet chemical analysis, XANES at Ce L3-edge, Raman spectroscopy, and optical absorption spectroscopy were successfully used to determine the redox state of cerium in aluminosilicates. Cerium ; XANES ; Raman spectroscopy ; Redox ; Aluminosilicate ; Oxidation state ; Analytical Chemistry (journal) ; Absorption spectroscopy ; Spectroscopy ; Chemistry ; Atmospheric temperature range ; Absorption (acoustics) ; Materials science ; Inorganic chemistry ; Thermodynamics ; Metal ; Metallurgy Glass properties and applications ; Luminescence Properties of Advanced Materials ; Mineralogy and Gemology Studies