jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shusheng Jia | Lei Xiong | Shigui Du | Lin Shen | Yonggang Yu | Jiangbing Li | Zhenglei Wu
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Thiophene-imidazoline derivatives with varying chain lengths modified by organic acids as corrosion inhibitors for carbon steel in the CO <sub>2</sub> -saturated oilfield produced water The dissolution of CO<sub>2</sub> in oilfield produced water causes severe pipeline corrosion and economic losses, highlighting the critical need for medium-high temperature corrosion inhibitors for carbon steel protection. Imidazoline derivative corrosion inhibitors S4-C7 (thiophene-imidazoline octanamide), S4-C9 (thiophene-imidazoline decanamide), S4-C11 (thiophene-imidazoline lauramide) and S4-C13 (thiophene-imidazoline myristamide) with different carbon chain lengths were synthesized by modifying thiophene-imidazoline with different organic acids. At medium-high temperatures, weight loss measurements, electrochemical tests, surface morphology analysis, and theoretical calculations were employed to investigate their inhibition performances and mechanisms in CO<sub>2</sub>-containing solutions. The findings indicate that S4-C11 exhibits excellent corrosion inhibition performance. Specifically, when its concentration reaches 100 mg L<sup>-1</sup>, it can attain an inhibition efficiency of 87.55%. In addition, the investigation was carried out to elucidate the underlying factors contributing to the disparities in the corrosion inhibition efficiencies among corrosion inhibitors with varying carbon chain lengths. One of the reasons is that the carbon chain length affects the hydrophobicity of the corrosion inhibitors. Through quantum chemical calculations and molecular dynamics simulations, it has been firmly established that, in comparison with S4-C7, S4-C11 exhibits a more remarkable electron-donating ability. Moreover, S4-C11 shows lower adsorption energy on carbon steel surfaces and forms a more compact protective film, which collectively contributes to its superior performance. These combined properties more effectively limit contact between the steel surface and corrosive species, thereby inhibiting further corrosion. Imidazoline receptor ; Corrosion ; Carbon steel ; Thiophene ; Carbon chain ; Carbon fibers ; Chemistry ; Chain (unit) ; Corrosion inhibitor ; Materials science ; Organic chemistry ; Composite material ; Composite number Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Carbon dioxide utilization in catalysis
Authors: Eman F. Aboelfetoh
Source: Scientific Reports (article, 2025-07-27)
Field: Chemistry — Organic Chemistry

One step hydrothermal synthesis of magnetically separable rGO supported Fe₃O₄ and Ag nanoparticles for adsorption and reduction of organic pollutants The development of efficient adsorbents and catalysts is crucial for enhanced pollutant removal and catalytic performance. In this study, a magnetically separable rGO/Fe<sub>3</sub>O<sub>4</sub>/Ag nanocomposite was synthesized via a facile one step hydrothermal method, enabling simultaneous reduction of graphene oxide (GO) and in situ deposition of Fe<sub>3</sub>O<sub>4</sub> and Ag nanoparticles. The nanocomposite's structure, surface features, and magnetic properties were confirmed through appropriate characterization techniques. The nanocomposite exhibited high adsorption efficiency toward methyl violet 2B (MV), with performance evaluated across varying dye concentrations, pH, temperature, and adsorbent dosages. Statistical error analysis (reduced χ<sup>2</sup>, RMSE, SSE) validated the applicability of a pseudo-second-order kinetics. The adsorption data also fit Langmuir isotherm, revealing a maximum uptake (q<sub>max</sub>) of 168.70 mg/g. Employing NaBH<sub>4</sub> as reductant, the nanocomposite achieved rapid p-nitroaniline (p-NA) hydrogenation to p-phenylenediamine (p-PDA), achieving 97.60% conversion within 3 min and a rate constant of 0.95 min⁻<sup>1</sup>, consistent with pseudo-first-order kinetics. The nanocomposite's strong magnetic responsiveness (Ms = 30 emu/g) enabled efficient separation and reusability, maintaining stable performance over five adsorption and eight catalytic cycles. Adsorption ; Nanocomposite ; Graphene ; Langmuir adsorption model ; Catalysis ; Kinetics ; Materials science ; Nanoparticle ; Oxide ; Chemical engineering ; Hydrothermal circulation ; Nuclear chemistry ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Organic chemistry ; Metallurgy Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Graphene and Nanomaterials Applications
Authors: Karina Roa | Andrés Boulett | Paola Santander | Julio Bruna | Gabriel Salfate | Guadalupe del C. Pizarro | Liqiu Hu | Chunlin Xu | Julio Sánchez
Source: International Journal of Biological Macromolecules (article, 2025-02-16)
Field: Materials Science — Biomaterials

Carboxylated cellulose nanocrystals in semi-interpenetrated network hydrogels and its application in water absorption and antibiotic removal Self-healing hydrogels ; Cellulose ; Absorption of water ; Absorption (acoustics) ; Bacterial cellulose ; Nanocrystal ; Chemical engineering ; Materials science ; Polymer chemistry ; Chemistry ; Nanotechnology ; Organic chemistry ; Composite material Advanced Cellulose Research Studies ; Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Burak Gurlek | Daqing Wang
Source: Physical Review Research (preprint, 2025-05-22)
Field: Materials Science — Materials Chemistry

Small but large: Single organic molecules as hybrid platforms for quantum technologies Single organic molecules embedded in solid-state matrices exhibit remarkable optical properties, making them competitive candidates for single-photon sources and quantum nonlinear optical elements. However, the lack of long-lived internal states imposes significant constraints on their application in the broader field of quantum technologies. In this article, we reexamine the single-molecule host-guest system from first principles, elaborate on the rich internal states this system encompasses, and put forward strategies to harness them for applications in quantum memory, spin-photon interface, spin register, and optomechanics. Further, we discuss the potential of leveraging the vast chemical space of molecules and highlight the challenges and opportunities for molecular systems along these directions. Organic molecules ; Quantum ; Nanotechnology ; Computer science ; Molecule ; Business ; Materials science ; Physics ; Quantum mechanics Machine Learning in Materials Science ; Molecular Junctions and Nanostructures
Authors: Junbo Zhang | Xingyu Long | Hu Meng | Wanli Wei | Jiangning Gong | Chun Yang | Pinhua Xia | Anping Wang
Source: Scientific Reports (article, 2025-01-09)
Field: Chemistry — Organic Chemistry

New insights in the low-temperature-dependent formation of amorphous titania-coated magnetic polydopamine nanocomposites for the adsorption of methylene blue Removal of accumulated dyes from the environment water bodies is essential to prevent further harm to humans. The development and design of new alternative nanoadsorbents that can conveniently, quickly, and efficiently improve the adsorption and removal efficiency of dyes from wastewater remains a huge challenge. An amorphous TiO<sub>2</sub> with a magnetic core-shell-shell structure (Fe<sub>3</sub>O<sub>4</sub>@PDA@a-TiO<sub>2</sub>, denoted as FPaT) was constructed through a series of steps. The studies on the formation mechanism of FPaT indicated that the reaction temperature was the most important parameter affecting crystal structure. To analyze the magnetic properties of the core, the amorphous structure of the shell, and the surface properties (size and morphology, elemental composition, functional groups, crystal structure, magnetic properties, etc.) of FPaT, various analytical techniques including scanning electronic microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD) and vibrating sample magnetometer (VSM) were utilized to characterize it. Based on the unique physicochemical properties of its surface, the FPaT was applied to highly adsorb methylene blue (MB) from simulated wastewater. Furthermore, batch adsorption experiments towards MB were performed to assess the high adsorption ability and reusability of the prepared FPaT. Using 4.5 mg of FPaT to adsorb MB solution with an initial concentration of 10 mg/L (pH = 8.2), 97% adsorption rate was achieved within 30 min. Compared with the previously reported values of other absorbent materials, the maximum adsorption capacity (313.7 mg/g) is much higher. The equilibrium adsorptions and the adsorption kinetic data were better depicted by the Langmuir isothermal adsorption model (R<sup>2</sup> = 0.943) and by a second-order kinetic model (R<sup>2</sup> = 0.999), respectively. In conclusion, this work indicates that FPaT, as a novel adsorbent, has good application prospects for removing MB from actual dye wastewater. Adsorption ; Amorphous solid ; Fourier transform infrared spectroscopy ; Materials science ; Chemical engineering ; Methylene blue ; Nanocomposite ; Crystal violet ; Transmission electron microscopy ; Crystal (programming language) ; Analytical Chemistry (journal) ; Nanotechnology ; Chemistry ; Organic chemistry ; Photocatalysis Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Peichen Shi | Ganyu Chen | Qiang Chen | Huiting Wu | Suixu Li | Xiaoyu Cao | Liulin Yang | Zhong‐Qun Tian
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Biomaterials

Heterogeneously catalyzed supramolecular polymerization: essential roles of nucleation and fragmentation-induced autocatalysis in chiral transfer The complexity of multi-component molecular assembly demands precise control strategies to enhance both efficiency and selectivity. Heterogeneous nucleation and the autocatalytic secondary pathway, as key regulatory strategies, have attracted widespread attention for their crucial roles in crystal growth and amyloid protein aggregation. Here, we apply a heterogeneous nucleation strategy to supramolecular polymer systems and report the first direct observation of surface-enrichment-induced primary nucleation and a spontaneous fragmentation-driven autocatalytic secondary process. A heterogeneous nucleating agent promotes primary nucleation, facilitating supramolecular chiral induction. The resulting chiral polymers undergo a catalytic cycle of fragmentation and re-growth at their termini, with the fragments also acting as seeds for nucleation and growth. These pathways play a crucial role in the polymerization process and are essential for chiral transfer and asymmetry amplification, enabling the achievement of maximum enantioselectivity with as little as 0.5% molar equivalent of the heterogeneous nucleating agent. Furthermore, we reveal the existence of an optimal equivalent in their catalytic kinetics, arising from a surface assembly mechanism. In this mechanism, monomers adsorbed on the surface of the heterogeneous nucleating agent assemble with those in solution, rather than through surface diffusion and assembly. This process resembles the surface-catalyzed Eley-Rideal mechanism. Our study highlights the potential of heterogeneous nucleation as an effective strategy for controlling supramolecular polymerization and offers new insights into its underlying mechanism. Autocatalysis ; Polymerization ; Chain transfer ; Nucleation ; Fragmentation (computing) ; Supramolecular chemistry ; Catalysis ; Chemistry ; Polymer chemistry ; Materials science ; Photochemistry ; Molecule ; Organic chemistry ; Radical polymerization ; Computer science ; Polymer Supramolecular Self-Assembly in Materials ; Supramolecular Chemistry and Complexes ; Surface Chemistry and Catalysis
Authors: X. Li | Yuxin Liu | Jiayi Zheng | Xiaoyi Zhu | Wangxi Fang | Shanshan Lei | Weichao Zhuang | Jing Wu | Hao Tong | Shujie You | Xi Wei | Wen Qin | Yaowen Liu | Mingrui Chen
Source: Foods (article, 2025-09-07)
Field: Materials Science — Biomaterials

β-Cyclodextrin/Thymol Microcapsule-Embedded Starch Coatings for Synchronized Antimicrobial Release and Shelf-Life Extension in Blueberries An eco-friendly composite coating was developed for blueberry preservation through the incorporation of thymol-loaded β-cyclodextrin microcapsules (THY@β-CD) into a potato starch (PO) matrix. Microencapsulation at an optimal wall-to-core ratio of 13:1 achieved a THY encapsulation efficiency of 73.24%. Structural analyses confirmed the successful formation of an inclusion complex, which enhanced thermal stability and provided a controlled release profile governed by Fickian diffusion mechanisms. When applied to blueberries, the coating significantly reduced weight loss by 22%, delayed softening, and more effectively preserved anthocyanin content compared to uncoated fruit during 10-day storage. Furthermore, it well-maintained the sensory quality and visual appeal of the fruit. These results demonstrate that the THY@β-CD/PO coating synergistically integrates sustained antimicrobial delivery with matrix compatibility, offering a promising natural alternative to synthetic preservatives for extending the shelf life of blueberries. Preservative ; Shelf life ; Coating ; Anthocyanin ; Starch ; Antimicrobial ; Modified starch Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Microencapsulation and Drying Processes
Authors: Khadiga Mohamed Abas | Miroslav Mrlík | Katarína Mosnáčková | Jaroslav Mosnáček
Source: Journal of Polymers and the Environment (article, 2025-04-02)
Field: Materials Science — Polymers and Plastics

Physical and Electrical Properties of Polylactic Acid-Based Adsorbents for the Malachite Green Dye Removal with Potential Sensoric Application Abstract New adsorbent films for the biosorption of malachite green (MG) dye from water were prepared using polylactic acid (PLA) as a renewable, degradable and thermoplastic polymer matrix, instead of widely used crosslinked systems. Polyaniline (PANI) and carbon fibers (CFs) were added to PLA through vigorous sonication followed by a casting technique to create electrically conductive PLA-based adsorbent films with enhanced functionality and adsorption properties. The composite films were characterized using scanning electron microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, dynamic mechanical thermal analysis, and BET-surface area measurements to identify their functionality as adsorbents for removing MG dye from water. The produced PLA/PANI/CFs composite films exhibited higher electrical conductivity and surface area compared to PLA and PLA/PANI films. The effects of adsorbent film composition, contact time, pH, and dye concentration on adsorption efficiency were assessed. The adsorption test confirmed effective removal of MG dye with maximum adsorption capacities of up to 60.1 mg/g. The isotherm data fitted the Langmuir model with an R 2 value of 0.99, implying a chemisorption process. The fabricated biosorbents disclosed the first-order kinetic model with high R 2 values and an exothermic reaction with the MG dye, as the process is stimulated by a decrease in temperature. Adsorbent regeneration and the significant effect of various MG concentrations on electric conductivity, which changed by two orders of magnitude, demonstrated the applicability of PLA/PANI/CFs composite films as potential MG dye sensors. Malachite green ; Materials science ; Polylactic acid ; Adsorption ; Composite material ; Chemical engineering ; Organic chemistry ; Polymer Conducting polymers and applications ; Electrochemical sensors and biosensors ; Gas Sensing Nanomaterials and Sensors
Authors: Cody L. Ritt | Michelle Quien | Zitang Wei | Hagen Gress | Mohan Teja Dronadula | Kaan Altmisdort | Huong Giang T. Nguyen | Christopher D. Zangmeister | Yuming Tu | Sanjay Garimella | Shahab Amirabadi | Michael Gadaloff | Weiguo Hu | N. R. Aluru | K. L. Ekinci | J. Scott Bunch | Michael S. Strano
Source: Nature (article, 2025-11-12)
Field: Materials Science — Materials Chemistry

A molecularly impermeable polymer from two-dimensional polyaramids All polymers exhibit gas permeability through the free volume of entangled polymer chains<sup>1-3</sup>. By contrast, two-dimensional (2D) materials including graphene stack densely and can exhibit molecular impermeability<sup>4-6</sup>. Solution-synthesized 2D polymers that exhibit the latter by poly-condensation have been a longstanding goal. Herein, we demonstrate self-supporting, spin-coated 2D polyaramid nanofilms that exhibit nitrogen permeability below 3.1 × 10<sup>-</sup><sup>9</sup> Barrer, nearly four orders of magnitude lower than every class of existing polymer, and similar for other gases tested (helium, argon, oxygen, methane and sulfur hexafluoride). Optical interference during the pressurization of nanofilm-coated microwells allows measurement of mechanosensitive rim opening and sealing, creating gas-filled bulges that are stable exceeding three years. This discovery enables 2D polymer resonators with high resonance frequencies (about 8 MHz) and quality factors up to 537, similar to graphene. A 60-nm coating of air-sensitive perovskites reduces the lattice degradation rate 14-fold with an oxygen permeability of 3.3 × 10<sup>-8</sup> Barrer. Molecularly impermeable polymers promise the next generation of barriers that are synthetically processable, chemically amenable and maximize molecular rejection with minimal material, ultimately advancing sustainability goals. Polymer ; Coating ; Methane ; Permeability (electromagnetism) ; Polymer degradation ; Stack (abstract data type) ; Graphene Covalent Organic Framework Applications ; 2D Materials and Applications ; Graphene research and applications
Authors: Xuejin Zhang | Yulong Tian | Huanhuan Chen | Ying Liu | Song Han | Minmin Chang | Jingshun Zhuang | Qingzhi Ma
Source: Nanomaterials (article, 2025-07-09)
Field: Materials Science — Biomaterials

Study on the Adsorption Behavior of a Cellulose Nanofibril/Tannic Acid/Polyvinyl Alcohol Aerogel for Cu(II), Cd(II), and Pb(II) Heavy Metal Ions Nanocellulose-based composite aerogels have the advantages of high porosity, biodegradability, and biocompatibility, with wide applications in many fields, such as adsorption, separation, energy storage, and heat insulation. In this study, a nanocellulose-based composite aerogel (NCA) was prepared using the one-pot method with cellulose nanofibrils (CNFs), tannic acid (TA), and polyvinyl alcohol (PVA) as raw materials. The adsorption behaviors of Pb<sup>2+</sup>, Cd<sup>2+</sup>, and Cu<sup>2+</sup> were also studied. FT-IR analysis confirmed that TA successfully solidified on the nanocellulose, while SEM analysis revealed that the prepared NCA exhibited significantly higher porosity compared with the cellulose nanofibril-only aerogel. The results of the adsorption experiment demonstrated that the adsorption behavior of heavy metal ions using the prepared NCA followed pseudo-second-order kinetics. The adsorption isotherms fit well with the Langmuir adsorption model, indicating that the process of aerogels adsorbing heavy metal ions is that of monolayer adsorption. Under conditions of pH 6 and an initial heavy metal ion concentration of 100 mg/L, the maximum adsorption capacity calculated for the prepared NCA was up to 196.850 mg/g, 181.488 mg/g, and 151.515 mg/g for Cu<sup>2+</sup>, Cd<sup>2+</sup>, and Pb<sup>2+</sup>, respectively. Furthermore, the prepared NCA exhibited excellent reusability, with more than 90% efficiency retained after three cycles. NCAs have the potential to become an efficient material for absorbing heavy metal ions in water. Aerogel ; Nanocellulose ; Adsorption ; Metal ions in aqueous solution ; Polyvinyl alcohol ; Materials science ; Chemical engineering ; Cellulose ; Metal ; Langmuir adsorption model ; Nuclear chemistry ; Chemistry ; Composite material ; Organic chemistry ; Metallurgy Advanced Cellulose Research Studies ; Aerogels and thermal insulation ; Adsorption and biosorption for pollutant removal
Authors: Amábile Giotto dos Santos | Thiago Rodrigues Martins | Satheesh Krishnamurthy | Daniel Assumpção Bertuol | Eduardo Hiromitsu Tanabe
Source: Metals (article, 2025-01-10)
Field: Materials Science — Biomaterials

Production of Nanofibers Composed of CuO for the Removal of Pb(II) from Aqueous Solutions Pollution by heavy metals such as lead is a major concern, since exposure to these metals can lead to various adverse health effects. In this work, nanofibers composed of CuO (CuONFs) were developed as a novel and promising material for Pb(II) adsorption. There have been no previous reports concerning the production of polyacrylonitrile nanofibers modified with copper sulfate pentahydrate, followed by calcination, to be utilized as a Pb(II) adsorbent. The nanofibers were obtained using the centrifugal spinning method and then were characterized before and after a calcination step using analytical techniques. Adsorption parameters were investigated, including pH, contact time, adsorbate concentration, and temperature. Satisfactory Pb (II) adsorption was reached at 298 K, pH 5.8, and a maximum adsorption of 151.34 mg g−1 was achieved, predicted by the Hill model. The kinetic data proved that Pb (II) adsorption better fitted the pseudo-second-order model, while the Hill model was confirmed to best fit the equilibrium data. Thermodynamic parameters demonstrated that the lead adsorption was favorable, spontaneous, and exothermic. The CuONFs maintained 97.51% of their initial adsorption capacity after two adsorption/desorption cycles. The results showed that CuONFs have excellent potential as an adsorbent for Pb(II), while also showing high stability during reuse. Nanofiber ; Aqueous solution ; Production (economics) ; Chemical engineering ; Materials science ; Chemistry ; Nanotechnology ; Engineering ; Organic chemistry ; Economics Electrospun Nanofibers in Biomedical Applications ; Membrane Separation Technologies ; Supercapacitor Materials and Fabrication