jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shilin Xia | Yong Liu | Ruo‐Meng Zhu | Jingdong Feng | Wang‐Kang Han | Zhi‐Guo Gu
Source: Macromolecular Rapid Communications (article, 2024-12-27)
Field: Materials Science — Materials Chemistry

1D Covalent Organic Frameworks with Tunable Dual‐Cobalt Synergistic Sites for Efficient CO<sub>2</sub> Photoreduction Diatomic catalysts enhance photocatalytic CO<sub>2</sub> reduction through synergistic effects. However, precisely regulating the distance between two catalytic centers to achieve synergistic catalysis poses significant challenges. In this study, a series of one-dimensional (1D) covalent organic frameworks (COFs) are designed with adjustable micropores to facilitate efficient CO<sub>2</sub> photoreduction. CO<sub>2</sub> molecules are anchored between dual-cobalt centers within micropores, thus effectively reducing their activation energy and initiating the photocatalytic process. Additionally, the formation of *COOH intermediates is significantly influenced by the coordination microenvironment around dual-cobalt sites. Notably, COF-Co-N<sub>4</sub> exhibited remarkable CO<sub>2</sub> photoreduction activity with a CO evolution rate of 110.3 µmol·g<sup>-1</sup>·h<sup>-1</sup>, which surpasses most of previously reported single-atom-site photocatalysts. Comprehensive characterization and density functional theory (DFT) calculations revealed that 1D COFs with dual-cobalt sites possess the ability to anchor CO<sub>2</sub> molecules, thereby enhancing the efficacy of synergistic catalysis. Simultaneously, COF-Co-N<sub>4</sub> with quadruple nitrogen coordination significantly reduced the energy barrier of crucial *COOH intermediate, facilitating efficient photocatalytic CO<sub>2</sub> reduction. This study meticulously modulated the coordination microenvironment surrounding dual-cobalt synergistic sites, providing new insight into the design of high-performance photocatalysts. Cobalt ; Catalysis ; Photocatalysis ; Density functional theory ; Molecule ; Covalent bond ; Chemistry ; Photochemistry ; Materials science ; Nanotechnology ; Combinatorial chemistry ; Computational chemistry ; Inorganic chemistry ; Organic chemistry Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Mohamed Mohamady Ghobashy | Ahmed Rashad | Sayed K. Attia | Abo El-Khair B. El-Sayed | Doaa I. Osman
Source: Scientific Reports (article, 2024-07-10)
Field: Chemistry — Analytical Chemistry

Utilizing combusted PET plastic waste and biogenic oils as efficient pour point depressants for crude oil The deposition of paraffin on pipelines during crude oil transit and low-temperature restart processes poses a significant challenge for the oil industry. Addressing this issue necessitates the exploration of innovative materials and methods. Pour point depressants (PPDs) emerge as crucial processing aids to modify paraffin crystallization and enhance crude oil flow. This study focuses on the combustion of polyethylene terephthalate (PET) waste, a prevalent plastic, in two distinct oils (castor and jatropha). The resulting black waxy substances (PET/Castor and PET/Jatropha) were introduced in varying weights (1000, 2000, and 3000 ppm) to crude oil. The PET/castor oil combination demonstrated a remarkable reduction in pour point from 18 to -21 °C at 3000 ppm concentration, significantly more effective than PET/jatropha blends. Substantial decreases in viscosity (up to 75%) and shear stress (up to 72%) were also observed for both blends, most prominently at lower temperatures near the pour point. The synergistic effect of PET and oils as nucleating agents that alter crystallization patterns and restrict crystal growth contributes to this enhanced low-temperature flow. This highlights the potential of PET plastic waste as an economical, abundant, and eco-friendly additive to develop high-performance PPDs for crude oil. Crude oil ; Pour point ; Environmental science ; Light crude oil ; Waste management ; Chemistry ; Petroleum engineering ; Geology ; Organic chemistry ; Engineering Petroleum Processing and Analysis ; Microbial bioremediation and biosurfactants ; Microplastics and Plastic Pollution
Authors: Najeb Salman Abtan | A Sultan | Firas Farhan Sayyid | Ahmed A. Al‐Amiery | Ahed Hameed Jaaz | Tayser Sumer Gaaz | Samina Ahmed | A. I. Mustafa | Daoud Ali | Mahdi M. Hanoon | M Solomon | I Uzoma | J Olugbuyiro | O Ademosun | D Wang | Y Li | B Chen | L Zhang | B El-Haitout | I Selatnia | H Lgaz | M Al-Hadeethi | H Lee | A Chaouiki | Y Ko | I Ali | R Salghi | B Tiu | R Advincula | A Alamri | D Chauhan | M Mazumder | M Quraishi | K Ansari | S afak | B Duran | A Yurt | G Trkolu | F Heakal | A Elkholy | M Farsak | H Kele | M Kele | R Parr | R Pearson | T Chaitra | K Mohana | H Tandon | L Khamaza | Yu | Matvienko | D Dwivedi | K Lepkov | T Becker | D Winkler | C Verma | L Olasunkanmi | E Ebenso | O Kaczerewska | R Leiva-Garcia | R Akid | B Brycki | I Kowalczyk | T Pospieszny | D Verma | Y Dewangan | A Dewangan | A Asatker | M Athar | H Ali | S Hadisaputra | A Purwoko | I Ilhamsyah | S Hamdiani | D Suhendra | N Nuryono | B Bundjali | D Rahmawati | Asnawati | S Ilhamsyah | A Hakim | R Wati | D Asnawati | Y Prananto | E Akpan | A Singh | T Quadri | S Shukla | B Mangla | A Dwivedi | O Dagdag | E Inyang
Source: International Journal of Corrosion and Scale Inhibition (article, 2024-03-30)
Field: Materials Science — Materials Chemistry

Enhancing corrosion resistance of mild steel in hydrochloric acid solution using 4-phenyl-1-(phenylsulfonyl)-3-thiosemicarbazide: A comprehensive study In the realm of materials science and corrosion mitigation, the utilization of inhibitors has garnered substantial attention for safeguarding metal assets. This research delves into the proficient utilization of 4-phenyl-1-(phenylsulfonyl)-3-thiosemicarbazide (PP-3-T) as a corrosion inhibitor for mild steel in hydrochloric acid (HCl) solutions, as evaluated through weight loss measurements. The investigation reveals that the incorporation of PP-3-T into the HCl medium engenders a significant enhancement in the corrosion resistance of mild steel, attributed to the formation of a protective barrier via PP-3-T molecule adsorption. A notable finding of this study is the independence of the corrosion inhibition efficiency on variables such as PP-3-T concentration, immersion time, and temperature. The best inhibition efficiency of 96.1% for mild steel immersed in 1 M HCl solution is achieved in the presence of 0.5 mM PP-3-T. Furthermore, the inhibitory effect diminishes significantly as immersion time is extended from 10 to 48 hours at a constant PP-3-T concentration, highlighting the time-sensitive nature of the inhibition process. Alterations in temperature within the range of 303 to 333 K exhibit negligible impact on inhibition efficiency, Corrosion ; Hydrochloric acid ; Chemistry ; Metallurgy ; Materials science ; Nuclear chemistry Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Yosuke Akae
Source: Beilstein Journal of Organic Chemistry (review, 2024-11-19)
Field: Chemistry — Organic Chemistry

Cyclodextrin-based rotaxanes for polymer materials: challenge on simultaneous realization of inexpensive production and defined structures Owing to their dynamic natures, rotaxane-based polymers are attractive motifs for developing stimuli-responsive materials. However, the accurate control of the rotaxane structure, which can be achieved via multistep synthesis, is key to utilizing the material. Concurrently, implementing a scale-up synthesis procedure to exploit the application potential of rotaxane-based polymers induces structural ambiguities, thereby presenting a significant trade-off between realizing inexpensive production and defined structures. To overcome this rotaxane-synthesis challenge, cyclodextrin (CD) can be employed as a promising alternative owing to its low production cost. Thus, this study presents an overview of the precise synthesis of CD-based rotaxane and its application to polymers to simultaneously ensure inexpensive production and realize defined structures. Rotaxane ; Polymer ; Nanotechnology ; Cyclodextrin ; Chemistry ; Production cost ; Realization (probability) ; Combinatorial chemistry ; Materials science ; Molecule ; Supramolecular chemistry ; Organic chemistry ; Mechanical engineering ; Engineering Supramolecular Chemistry and Complexes ; Advanced Polymer Synthesis and Characterization ; Microfluidic and Capillary Electrophoresis Applications
Authors: Min Fang | Jianyang Ke | Zhao‐Jie Wang | Qing Fu | Qing Yang | Lin Xu | Yuepeng Lu | Yong Yang | Xiaoming Jiang | Yongning Wu | Zhiyong Gong | Xin Liu
Source: Food Chemistry X (article, 2024-12-09)
Field: Chemistry — Analytical Chemistry

Preparation of sulfonic acid functionalized metal organic frameworks and their application in the online solid phase extraction of parabens and sulfonamides in pre-cooked foods Sulfonic acid functionalized metal-organic frameworksParabensSulfonamidesOnline solid phase extractionPre-cooked foods. Solid phase extraction ; Extraction (chemistry) ; Sulfonic acid ; Chemistry ; Phase (matter) ; Materials science ; Organic chemistry Analytical chemistry methods development ; Electrochemical sensors and biosensors ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Juliana Camila Fischer Karnopp | Juliana Jorge | Da Silva | Diego Boldo | Kristiane Fanti Del Pino Santos | Adriana Pereira Duarte | Gustavo R. Castro | Ricardo Bentes Azevedo | Ariadna Lafourcade Prada | Jesús Rafael Rodríguez Amado | Marco António Utrera Martines
Source: Pharmaceutics (article, 2024-08-19)
Field: Materials Science — Biomaterials

Synthesis, Characterization, and Cytotoxicity Evaluation of Chlorambucil-Functionalized Mesoporous Silica Nanoparticles This study describes the synthesis and characterization of chlorambucil (CLB)-functionalized mesoporous silica nanoparticles (MSNs) for potential application in cancer therapy. The nanoparticles were designed with a diameter between 20 and 50 nm to optimize cellular uptake and avoid rapid clearance from the bloodstream. The synthesis method involved modifying a previously reported technique to reduce particle size. Successful functionalization with CLB was confirmed through various techniques, including Fourier transform infrared spectroscopy (FTIR) and elemental analysis. The cytotoxicity of the CLB-functionalized nanoparticles (MSN@NH<sub>2</sub>-CLB) was evaluated against human lung adenocarcinoma cells (A549) and colon carcinoma cells (CT26WT). The results suggest significantly higher cytotoxicity of MSN@NH<sub>2</sub>-CLB compared to unbound CLB, with improved selectivity towards cancer cells over normal cells. This suggests that MSN@NH<sub>2</sub>-CLB holds promise as a drug delivery system for targeted cancer therapy. Chlorambucil ; Cytotoxicity ; Nanoparticle ; Mesoporous silica ; Characterization (materials science) ; Chemistry ; Mesoporous material ; Nanotechnology ; Materials science ; Combinatorial chemistry ; Chemical engineering ; Organic chemistry ; Biochemistry ; Medicine ; Chemotherapy ; In vitro ; Engineering ; Catalysis Nanoparticle-Based Drug Delivery ; Mesoporous Materials and Catalysis ; Dendrimers and Hyperbranched Polymers
Authors: Laurance Erasto | Harieth Hellar-Kihampa | Quintino Alphonce Mgani | Esther Lugwisha
Source: International Journal of Biological and Chemical Sciences (article, 2024-01-18)
Field: Materials Science — Biomaterials

Absorbance enhancement of a treated Tanzanian kaolin for removal of synthetic dyes from contaminated water Kaolin possesses unique features suitable for removing pollutants from aqueous solutions, in this regard, improving its effectiveness as an adsorbent is important. This study focused on refining the absorbance efficiency of Pugu kaolin clay from Tanzania to enhance its utilization in removing textile dyes from contaminated water. The process involved acid-activation after calcination at 750oC. Characterization using X-ray Fluorescence (XRF), X-ray diffraction (XRD), Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) and Porosimeter techniques revealed the presence of kaolinite [Al2Si2O5(OH)4], silica (SiO2) and microcline [KAlSi3O8] as the main phases. Acid treatment resulted in an increase in silica content from 44.18% to 58.81% due to the appearance of tridymite, while alumina decreased from 26.70% to 12.74% due to the removal of kaolinite. Surface area significantly expanded from 15.36 to 149.61 m2/g as acid-soluble impurities were eliminated. Chemical composition was also altered, with a decrease in Fe2O3 and increase in other major oxides. The impact of acid activation on the adsorption capacity of the clay was investigated by studying various parameters such as contact time, temperature, adsorbent dose, initial pH and adsorbate concentration. Basic Blue 9 (BB9) and Direct Red 28 (DR28) dyes were used as model adsorbates. The results obtained at optimal conditions of 3 hours contact time, 27oC temperature, 0.9 g adsorbent dose, initial pH of 11 and initial adsorbate concentration of 90 mg/L, showed that acid modification of the clay increased its capacity to adsorb BB9 from 96.82% to 99.91%, and DR28 from 86.33% to 95.04%. These findings underscore the positive impact of modifying the raw clay, enhancing its suitability for dye removal applications. Contamination ; Absorbance ; Environmental chemistry ; Chemistry ; Water contamination ; Contaminated water ; Chromatography ; Biology Clay minerals and soil interactions ; Adsorption and biosorption for pollutant removal
Authors: J. Lohr | Dina Tobia | Teobaldo E. Torres | Luis M. Rodríguez | I. Puente Orench | G.J. Cuello | Myriam H. Aguirre | Javier Campo | G. Aurelio | Enio Lima
Source: Journal of Applied Physics (article, 2024-07-23)
Field: Materials Science — Materials Chemistry

Structure of Zn<i>x</i>Fe3−<i>x</i>O4 nanoparticles studied by neutron diffraction and its relation with their response in magnetic hyperthermia experiments The mixed zinc-ferrite spinel magnetic nanoparticles (MNPs) with the general formula ZnxFe3−xO4 are among the most extensively studied families of Fe oxides due to their interesting and diverse chemical, electronic, and magnetic properties. These systems offer the possibility of surface functionalization and possess high biocompatibility, making them highly attractive for applications in biomedicine, such as magnetic fluid hyperthermia (MFH). The efficiency of the MFH process relies on the magnetic, structural and morphological properties of the MNPs. The substitution with the Zn ion and the cationic distribution, as well as the synthesis process employed, have a direct impact on the final properties of these oxides. Therefore, it is essential to have tools that enable a comprehensive characterization of the system to assess its performance in MFH. In this study, we have synthesized four ZnxFe3−xO4 MNP systems using three different methods: two by thermal decomposition at high temperatures, one by co-precipitation, and another by co-precipitation followed by ball milling. We analyze the effect of these various synthesis processes on the magnetic and crystallographic properties, aiming to correlate them with the response of each system in MFH. Neutron diffraction data are employed to determine the cation site occupation and to investigate the correlation with the synthesis method. MFH measurements were conducted in media of diverse viscosities, revealing different values of specific loss power, thus demonstrating a clear dependence on the synthesis process and Zn content. Neutron diffraction ; Nanoparticle ; Materials science ; Neutron ; Magnetic nanoparticles ; X-ray crystallography ; Condensed matter physics ; Radiochemistry ; Diffraction ; Chemistry ; Nuclear magnetic resonance ; Analytical Chemistry (journal) ; Crystallography ; Physics ; Nuclear physics ; Nanotechnology ; Crystal structure ; Optics ; Organic chemistry Magnetic Properties and Synthesis of Ferrites ; Characterization and Applications of Magnetic Nanoparticles ; Multiferroics and related materials
Authors: Mohammed Irziqat | Hiruni Weerahennedige | Dinushika Vithanage | Kazi Jannatul Tasnim | Md Rajib Khan Musa | Hansaka Weerarathne | Gamini Sumanasekera | Jacek B. Jasiński | Ming Yu
Source: Journal of Alloys and Compounds (article, 2024-04-23)
Field: Materials Science — Materials Chemistry

Angle-resolved polarized Raman study of layered b-AsxPx-1 alloys: Identification of As-P vibrational modes Raman spectroscopy ; Anisotropy ; Zigzag ; Polarization (electrochemistry) ; Molecular vibration ; Superposition principle ; Polar ; Molecular physics ; Normal mode ; Stacking ; Materials science ; Brewster's angle ; Vibration ; Hot band ; Chemistry ; Condensed matter physics ; Optics ; Physics ; Geometry ; Physical chemistry 2D Materials and Applications ; Graphene research and applications ; MXene and MAX Phase Materials
Authors: Yun Young Choi | Dung Thi Hanh To | Sewoon Kim | David M. Cwiertny | Nosang V. Myung
Source: Frontiers in Chemistry (article, 2024-09-09)
Field: Materials Science — Biomaterials

Mechanically durable tri-composite polyamide 6/hematite nanoparticle/tetra-n-butylammonium bromide (PA6/α-Fe2O3/TBAB) nanofiber based membranes for phosphate remediation Essential properties for a Point of Use (POU) water filter include maintaining high removal capacity and rate, with excellent mechanical properties to withstand pressure drop. Herein, mechanically robust tri-composite polyamide 6/iron oxide nanoparticles/tetra-n-butylammonium bromide (PA6/α-Fe<sub>2</sub>O<sub>3</sub>/TBAB) nanofiber composite membranes were electrospun for phosphate (P) remediation, where the diameter and composition were tuned by controlling solution compositions and electrospinning conditions. Tri-composite composition and morphology affect phosphate uptake where the adsorption capacity followed Langmuir isotherm whereas the adsorption kinetics followed pseudo second order behavior. Mechanical properties (i.e., Young's Modulus (<i>E</i>) and toughness) were significantly influenced by the composition and morphology of the tri-composite, as well. Although additional TBAB and iron oxide decreased toughness, there are optimum composition ranges which resulted in maximum Young's Modulus. Of the synthesized nanofiber membranes, PA6/α-Fe<sub>2</sub>O<sub>3</sub>/TBAB nanofibers with 17% α-Fe<sub>2</sub>O<sub>3</sub> and 2% TBAB showed excellent phosphate uptake capacity [i.e.<i>,</i> 8.9 mg/g (52 mg of P/g of α-Fe<sub>2</sub>O<sub>3</sub>)] while it is bendable, stretchable, and able to plastically deform without fracturing (i.e., Young's modulus of 2.06 × 10<sup>8</sup> Pa and Toughness of 1.35 × 10<sup>6</sup> J m<sup>-3</sup>). With concerns over the impact of P on water resources and the long-term availability of limited P resources, this tri-composite membrane is well suited for applications in both wastewater treatment and resource recovery. Polyamide ; Nanofiber ; Hematite ; Membrane ; Bromide ; Phosphate ; Materials science ; Composite number ; Nanocomposite ; Nanoparticle ; Tetra ; Chemical engineering ; Chemistry ; Composite material ; Inorganic chemistry ; Nanotechnology ; Organic chemistry ; Metallurgy Electrospun Nanofibers in Biomedical Applications ; Membrane Separation Technologies ; Supercapacitor Materials and Fabrication
Authors: Ana M. García | Juan A. Garcia-Romero | Sara H. Mejías | Pilar Prieto | Vittorio Saggiomo | Aldrik H. Velders | M. Laura Soriano | Víctor Ruiz-Díez | Juan Cabanillas‐González | M. Victoria Gómez
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Biomaterials

Microfluidic-driven short peptide hydrogels with optical waveguiding properties Supramolecular hydrogels of D Leu– L Phe– L Phe tripeptide were prepared employing microfluidics, resulting in fibrillar structures with optical waveguiding ability in conjunction with dyes, which enable emission modulation across spectral regions. Self-healing hydrogels ; Tripeptide ; Materials science ; Microfluidics ; Supramolecular chemistry ; Nanotechnology ; Peptide ; Soft materials ; Optoelectronics ; Crystallography ; Polymer chemistry ; Chemistry ; Crystal structure ; Biochemistry Supramolecular Self-Assembly in Materials ; Photoreceptor and optogenetics research ; Chemical Synthesis and Analysis
Authors: Tianyan Liu | Julian Kompa | Jing Ling | Nicolas Lardon | Yuan Zhang | Jingting Chen | Luc Reymond | Peng R. Chen | Mai Tran | Zhongtian Yang | Haolin Zhang | Yitong Liu | Stefan Pitsch | Peng Zou | Lu Wang | Kai Johnsson | Zhixing Chen
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-02-08)
Field: Chemistry — Organic Chemistry

Gentle rhodamines for live-cell fluorescence microscopy Abstract Rhodamines have been continuously optimized in brightness, biocompatibility, and colors to fulfill the demands of modern bioimaging. However, the problem of phototoxicity caused by the excited fluorophore under long-term illumination has been largely neglected, hampering their use in time-lapse imaging. Here we introduce cyclooctatetraene (COT) conjugated rhodamines that span the visible spectrum and exhibit significantly reduced phototoxicity. We identified a general strategy for the generation of Gentle Rhodamines, which preserved their outstanding spectroscopic properties and cell permeability while showing an efficient reduction of singlet-oxygen formation and diminished cellular photodamage. Paradoxically, their photobleaching kinetics do not go hand in hand with reduced phototoxicity. By combining COT-conjugated spirocyclization motifs with targeting moieties, these gentle rhodamines compose a toolkit for time-lapse imaging of mitochondria, DNA, and actin and synergize with covalent and exchangeable HaloTag labeling of cellular proteins with less photodamage than their commonly used precursors. Taken together, the Gentle Rhodamines generally offer alleviated phototoxicity and allow advanced video recording applications, including voltage imaging. Photobleaching ; Phototoxicity ; Fluorophore ; Fluorescence ; Chemistry ; Autofluorescence ; Rhodamine ; Microscopy ; Biophysics ; Singlet oxygen ; Fluorescence-lifetime imaging microscopy ; Optics ; Oxygen ; Biochemistry ; Biology ; Physics Click Chemistry and Applications ; Photochromic and Fluorescence Chemistry ; Advanced Fluorescence Microscopy Techniques