jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Abeer A. Ghoniem | Khaled M. Elattar | Fatimah Al-Otibi | Ashraf Elsayed | Mohammed S. El-Hersh | Ayman Y. El-Khateeb | Yosra A. Helmy | WesamEldin I. A. Saber
Source: RSC Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Turmeric extract-mediated biogenic synthesis of Ag@SeO<sub>2</sub> magnetic nanoparticles: characterization, optimization, antibacterial and antioxidant activities This study bio-synthesized Ag@SeO<sub>2</sub> bmNPs successfully, using turmeric ethanol extract, and characterized them using various techniques. The FT-IR analysis reveals the involvement of these plant-derived compounds, especially phenolics, in the reduction process by acting as electron donors and stabilizing/capping agents. Zeta potential analysis showed a slight negative surface charge for the stability of Ag@SeO<sub>2</sub> NPs, where TEM revealed spherical nanoparticles with an average size of 20 nm. The XRD confirmed crystallinity and a core-shell structure, and EDX identified elements consistent with Ag@SeO<sub>2</sub> and a 3 : 1 Ag/Se atomic ratio. Further, SEM supported the spherical shape and uniform size. These findings highlight the successful biosynthesis of Ag@SeO<sub>2</sub> bmNPs with promising properties for diverse applications. Moreover, the Box-Behnken design (BBD) and artificial neural network (ANN) model were engaged to optimize Ag@SeO<sub>2</sub> bmNP biosynthesis. BBD identified significant influences of pH, bioconversion temperature, time, and turmeric concentration on bmNP yield, with adjusted <i>R</i><sup>2</sup> and predictive <i>R</i><sup>2</sup> being 0.9075 and 0.8829, respectively. However, its limitations were revealed by a significant lack of fit. ANN modeling with a 3-5-7-1 topology showed superior predictive accuracy and identified optimal conditions for maximizing yield (pH 9.83, 51.7 °C, 1.0 h, 3.71 mg mL<sup>-1</sup> turmeric). Validation experiments confirmed the model's reliability. Turmeric extract exhibited significantly higher amounts of phenolics, and flavonoids compared to the bmNPs, suggesting its potential for strong antioxidant activity. Both turmeric extract and bmNPs displayed antioxidant activity in ABTS and DPPH assays, with turmeric extract being the most potent due to its curcuminoid content. The potential activity of Ag@SeO<sub>2</sub> bmNPs against <i>S. aureus</i>, <i>K. pneumonia</i>, <i>E. coli</i>, and <i>B. cereus</i> was investigated, with inhibition zones ranging from 22 to 32 mm. The MIC values of tested NPs towards pathogenic bacteria ranged from 165.625 and 331.25 μg mL<sup>-1</sup>. Antioxidant ; Chemistry ; Characterization (materials science) ; Nanoparticle ; Nuclear chemistry ; Antibacterial activity ; Curcumin ; Biosynthesis ; Combinatorial chemistry ; Nanotechnology ; Biochemistry ; Materials science ; Enzyme ; Bacteria ; Biology Advanced Nanomaterials in Catalysis ; Selenium in Biological Systems ; Nanoparticles: synthesis and applications
Authors: Dongxun Lyu | Katharina Märker | Yuning Zhou | Evan Wenbo Zhao | Anna B. Gunnarsdóttir | Samuel P. Niblett | Alexander C. Forse | Clare P. Grey
Source: Journal of the American Chemical Society (article, 2024-04-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Understanding Sorption of Aqueous Electrolytes in Porous Carbon by NMR Spectroscopy Ion adsorption at solid-water interfaces is crucial for many electrochemical processes involving aqueous electrolytes including energy storage, electrochemical separations, and electrocatalysis. However, the impact of the hydronium (H<sub>3</sub>O<sup>+</sup>) and hydroxide (OH<sup>-</sup>) ions on the ion adsorption and surface charge distributions remains poorly understood. Many fundamental studies of supercapacitors focus on non-aqueous electrolytes to avoid addressing the role of functional groups and electrolyte pH in altering ion uptake. Achieving microscopic level characterization of interfacial mixed ion adsorption is particularly challenging due to the complex ion dynamics, disordered structures, and hierarchical porosity of the carbon electrodes. This work addresses these challenges starting with pH measurements to quantify the adsorbed H<sub>3</sub>O<sup>+</sup> concentrations, which reveal the basic nature of the activated carbon YP-50F commonly used in supercapacitors. Solid-state NMR spectroscopy is used to study the uptake of lithium bis(trifluoromethanesulfonyl)-imide (LiTFSI) aqueous electrolyte in the YP-50F carbon across the full pH range. The NMR data analysis highlights the importance of including the fast ion-exchange processes for accurate quantification of the adsorbed ions. Under acidic conditions, more TFSI<sup>-</sup> ions are adsorbed in the carbon pores than Li<sup>+</sup> ions, with charge compensation also occurring via H<sub>3</sub>O<sup>+</sup> adsorption. Under neutral and basic conditions, when the carbon's surface charge is close to zero, the Li<sup>+</sup> and TFSI<sup>-</sup> ions exhibit similar but lower affinities toward the carbon pores. Our experimental approach and evidence of H<sub>3</sub>O<sup>+</sup> uptake in pores provide a methodology to relate the local structure to the function and performance in a wide range of materials for energy applications and beyond. Chemistry ; Adsorption ; Electrolyte ; Aqueous solution ; Inorganic chemistry ; Electrochemistry ; Activated carbon ; Ion ; Surface charge ; Carbon fibers ; Physical chemistry ; Organic chemistry ; Electrode ; Materials science Supercapacitor Materials and Fabrication ; Advanced Battery Materials and Technologies ; Advancements in Battery Materials
Authors: Natalia Jurga | Marcin Runowski | Tomasz Grzyb
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Lanthanide-based nanothermometers for bioapplications: excitation and temperature sensing in optical transparency windows Review article summarizing the current state of knowledge on remote optical nanothermometers based on the properties of lanthanide ions, both excitable and emitting within the biological windows range. Materials science ; Transparency (behavior) ; Lanthanide ; Excitation ; Nanotechnology ; Optoelectronics ; Computer science ; Ion Luminescence Properties of Advanced Materials ; Gas Sensing Nanomaterials and Sensors ; Atomic and Subatomic Physics Research
Authors: Yuan Liao | Yulong Fan | Dangyuan Lei
Source: Nanophotonics (article, 2024-02-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Thermally tunable binary‐phase VO <sub>2</sub> metasurfaces for switchable holography and digital encryption Metasurface holography has aroused immense interest in producing holographic images with high quality, higher-order diffraction-free, and large viewing angles by using a planar artificial sheet consisting of subwavelength nanostructures. Despite remarkable progress, dynamically tunable metasurface holography in the visible band has rarely been reported due to limited available tuning methods. In this work, we propose and numerically demonstrate a thermally tunable vanadium dioxide (VO<sub>2</sub>) nanofin based binary-phase metasurface, which generates holographic information in the visible varying with temperature. The insulator-to-metal phase transition in VO<sub>2</sub> nanofins allows two independent binary-phase holograms generated by machine learning to be encoded in the respective phases of VO<sub>2</sub> and switched under thermal regulation. By elaborately designing the dimensions and compensated phase of VO<sub>2</sub> nanofins, high-quality images are reconstructed at corresponding temperatures under appropriate chiral illumination. In contrast, much poorer images are produced under inappropriate chiral illumination. We further demonstrate the advantage of applying the VO<sub>2</sub> phase-compensated metasurface in high-security digital encryption, where two desired character combinations are read out with appropriate excitations and temperatures, whereas one identical fraudulent message is received with inappropriate excitations. Our design approach offers a new and efficient method to realize tunable metasurfaces, which is promisingly adopted in dynamic display, information encryption, optical anti-counterfeiting, etc. Binary number ; Holography ; Encryption ; Materials science ; Phase (matter) ; Nanomaterials ; Digital holography ; Optoelectronics ; Optics ; Computer science ; Physics ; Nanotechnology ; Computer network ; Mathematics ; Arithmetic Metamaterials and Metasurfaces Applications ; Optical Wireless Communication Technologies ; Advanced Memory and Neural Computing
Authors: Hasan Özdoğan | Yiğit Ali Üncü | F. Akman | H. Polat | M.R. Kaçal
Source: Polymers (article, 2024-06-24)
Field: Materials Science — Materials Chemistry

Detailed Analysis of Gamma-Shielding Characteristics of Ternary Composites Using Experimental, Theoretical and Monte Carlo Simulation Methods Ionizing radiation is vital in various fields but poses health risks, necessitating effective shielding. This study investigated the photon-shielding properties of polyester-based ternary composites with barite (BaSO<sub>4</sub>) and tungsten (W) using experimental methods, theoretical calculations, and Monte Carlo simulations for energies between 81 keV and 1332.5 keV. WINXCOM was utilized for the theoretical predictions, and the MCNP6 and PHITS 3.22 algorithms were employed for the simulations. According to the results, the simulation, theoretical, and experimental data all closely aligned. At 81 keV, the composite containing the highest amount of tungsten (PBaW50) had the highest mass attenuation coefficient (3.7498 cm<sup>2</sup>/g) and linear attenuation coefficient (12.9676 cm<sup>-1</sup>). Furthermore, for a sample that was 1 cm thick, PBaW50 offered 99.88% protection at 81 keV and had the lowest HVL and TVL values. PBaW50 exhibited attenuation capabilities, making it appropriate for use in industrial, medical, and aerospace settings. In summary, the findings of this study underscore the potential of polyester-based composites doped with barite and tungsten as effective materials for gamma radiation shielding. The PBaW50 sample, in particular, stands out for its attenuation performance, making it a viable option for a wide range of applications where durable and efficient radiation shielding is essential. Electromagnetic shielding ; Materials science ; Attenuation ; Monte Carlo method ; Mass attenuation coefficient ; Tungsten ; Composite material ; Ternary operation ; Radiation shielding ; Computational physics ; Nuclear engineering ; Optics ; Computer science ; Physics Radiation Shielding Materials Analysis ; Graphite, nuclear technology, radiation studies ; Nuclear materials and radiation effects
Authors: Yuling Wang | Xingqi Ou | Hong-Ju He | Mohammed Kamruzzaman
Source: Food Chemistry X (article, 2024-02-16)
Field: Chemistry — Analytical Chemistry

Advancements, limitations and challenges in hyperspectral imaging for comprehensive assessment of wheat quality: An up-to-date review The potential of hyperspectral imaging technology (HIT) for the determination of physicochemical and nutritional components, evaluation of fungal/mycotoxins contamination, wheat varieties classification, identification of non-mildew-damaged wheat kernels, as well as detection of flour adulteration is comprehensively illustrated and reviewed. The latest findings (2018-2023) of HIT in wheat quality evaluation through internal and external attributes are compared and summarized in detail. The limitations and challenges of HIT to improve assessment accuracy are clearly described. Additionally, various practical recommendations and strategies for the potential application of HIT are highlighted. The future trends and prospects of HIT in evaluating wheat quality are also mentioned. In conclusion, HIT stands as a cutting-edge technology with immense potential for revolutionizing wheat quality evaluation. As advancements in HIT continue, it will play a pivotal role in shaping the future of wheat quality assessment and contributing to a more sustainable and efficient food supply chain. Hyperspectral imaging ; Quality (philosophy) ; Quality assessment ; Identification (biology) ; Computer science ; Biotechnology ; Risk analysis (engineering) ; Agricultural engineering ; Environmental science ; Engineering ; Business ; Evaluation methods ; Artificial intelligence ; Biology Spectroscopy and Chemometric Analyses ; Listeria monocytogenes in Food Safety ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Haipeng Wang | Liang Hu | W. J. Xie | J. Chang | Chenhui Zheng | Mingxing Li | Qing Wang | Hui Liao | D. Liu | B. Wei
Source: Angewandte Chemie International Edition (article, 2024-02-02)
Field: Materials Science — Materials Chemistry

Metastable Liquid Properties and Surface Flow Patterns of Ultrahigh Temperature Alloys Explored in Outer Space The metastable liquid properties and chemical bonds beyond 2000 K remain a huge challenge for ground-based research on liquid materials chemistry. We show the strong undercooling capability, metastable liquid properties and surface wave patterns of refractory Nb-Si and Zr-V binary alloys explored in space environment. The floating droplet of Nb<sub>82.7</sub>Si<sub>17.3</sub> eutectic alloy superheated up to 2338 K exhibited an extreme undercooling of 437 K, approaching the 0.2T<sub>E</sub> threshold for homogeneous nucleation of liquid-solid reaction. The microgravity state endowed alloy droplets with nearly perfect sphericity and thus ensured the high accuracy to determine metastable undercooled liquid properties. A special kind of swirling flow was induced for liquid alloy owing to Marangoni convection, which resulted in the spiral microstructures on Zr<sub>64</sub>V<sub>36</sub> alloy surface during liquid-solid phase transition. The coupled impacts of surface nucleation and surface flow brought in a novel olivary shape for these binary alloys. Furthermore, the chemical bonds and atomic structures of high temperature liquids were revealed to understand the liquid properties in outer space circumstances. Supercooling ; Metastability ; Materials science ; Eutectic system ; Nucleation ; Surface tension ; Thermodynamics ; Alloy ; Chemical physics ; Melting point ; Superheating ; Metallurgy ; Composite material ; Chemistry ; Organic chemistry Solidification and crystal growth phenomena ; nanoparticles nucleation surface interactions ; Material Dynamics and Properties
Authors: Javad Esmaeili | Saeedeh Zare Jalise | Silvia Pisani | Gaël Y. Rochefort | Farbod Ghobadinezhad | Zeynab Mirzaei | Riaz Ur Rehman Mohammed | Mehdi Fathi | Amir Tebyani | Zohre Mousavi Nejad
Source: International Journal of Biological Macromolecules (review, 2024-06-01)
Field: Materials Science — Biomaterials

Development and characterization of Polycaprolactone/chitosan-based scaffolds for tissue engineering of various organs: A review Polycaprolactone ; Tissue engineering ; Biomaterial ; Extracellular matrix ; Regeneration (biology) ; Scaffold ; Nanotechnology ; Materials science ; Biomedical engineering ; Computer science ; Chemistry ; Engineering ; Biology ; Cell biology ; Polymer ; Biochemistry Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Bone Tissue Engineering Materials
Authors: Alaa Mahmoud | Alaa A. El‐Sayed | Ayman M. Aboraya | Islam N. Fathy | Mohamed A. Abouelnour | Islam M. Nabil
Source: Scientific Reports (article, 2024-09-24)
Field: Materials Science — Materials Chemistry

Influence of sustainable waste granite, marble and nano-alumina additives on ordinary concretes: a physical, structural, and radiological study This study investigates the individual and combined effects of enhancing the radiation shielding properties of waste concrete using the optimal mix design of two waste material powders of different compositions. Marble (MD) and granite (GD) waste dust were individually utilized as partial replacements for cement at a replacement ratio of 6%. Furthermore, two additional mixes were prepared by incorporating 1% by cement weight of nano alumina (NA) to enhance the microstructure of the studied waste concrete. The MGA-concrete was analyzed using X-ray Fluorescence, Energy dispersive X-ray, X-ray diffraction analysis, transmission electron microscopy, and scanning electron microscope techniques. The radiation shielding assets of the examined Concrete samples, such as the linear attenuation coefficient (μ), half value layer (H<sub>1/2</sub>), tenth value layer (T<sub>1/10</sub>), and fast neutron removal cross-section were evaluated using the MCS5 Monte Carlo simulation algorithm and Phy-X software. The results showed that the linear attenuation for the GMN-concretes' order is CO < MD < GD < NA < MD + NA < GD + NA. The GD + Na concrete sample presents the best neutron performance. The studied GMN-concrete samples provide the best protection against γ-rays and fast neutrons. Lastly, the excellent performance of the mixes of waste Granite, Marble, and Nano-Alumina on ordinary would pave the way for their employment as radiation shielding in various nuclear and medical facilities. Materials science ; Half-value layer ; Electromagnetic shielding ; Microstructure ; Radioactive waste ; Cement ; Scanning electron microscope ; Neutron ; Neutron radiation ; Nano- ; Attenuation coefficient ; Composite material ; Nuclear chemistry ; Radiation shielding ; Chemistry ; Physics ; Optics Radiation Shielding Materials Analysis ; Nuclear materials and radiation effects ; Graphite, nuclear technology, radiation studies
Authors: Salah Elkun | Mohsen Ghali | T. Sharshar | M.M. Mosaad
Source: Scientific Reports (article, 2024-11-13)
Field: Materials Science — Materials Chemistry

Green synthesis of fluorescent N-doped carbon quantum dots from castor seeds and their applications in cell imaging and pH sensing Water-soluble fluorescent N-doped carbon quantum dots (N-CQDs) were hydrothermally prepared through a green synthesis route using castor seeds as a single precursor and a hydrothermal method. Several experimental techniques have been used to characterize synthesized N-CQDs to confirm their structure and to verify their applicability in cell imaging and pH sensing. The synthesized N-CQDs were found to have are characterized by amorphous nature with a spherical shape with an average particle size of 6.57 nm as revealed from XRD and TEM measurements. The FTIR results reveal the presence of carboxylic and hydroxyl functional groups on the surface of the CQDs, which was also confirmed by XPS analysis. The fluorescence characterization of the synthesized N-CQDs showed blue emission and excitation dependence with good photostability. It was found that the optimal excitation and emission wavelengths were (λ<sub>Ex</sub> = 360) and (λ<sub>Em</sub> = 432) nm, respectively. The fluorescence quantum yield (QY) of about 9.6% at the optimum excitation wavelength 360 nm. Moreover, the fluorescence intensity of N-CQDs showed good linear dependence with the pH values in ranges of 3.5 - 7.5 and 8 - 12 as well as high sensitivity for slight changes of pH values. According to these results, two fluorescent pH sensors were created based on acidic and basic media. The obtained N-CQDs have zeta potential of -21.86 mV and thus have excellent stability in water. Moreover, N-CQDs derived from the castor seeds have antimicrobial activity and exhibits low cytotoxicity to WI-13 cells with IC<sub>50</sub> = 394.4 ± 13.8 µg/mL. The results of this study demonstrated that the synthesized N-CQDs derived from castor seeds can be used as pH sensing and antimicrobial materials. On the other hand, they are also promising in applications in cell imaging, thermo-sensing and optoelectronics. Fluorescence ; Quantum yield ; Zeta potential ; X-ray photoelectron spectroscopy ; Materials science ; Analytical Chemistry (journal) ; Carbon fibers ; Hydrothermal circulation ; Nuclear chemistry ; Luminescence ; Fourier transform infrared spectroscopy ; Chemistry ; Nanoparticle ; Chemical engineering ; Nanotechnology ; Chromatography ; Optoelectronics ; Optics Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Kyle D. Duncan | Helena Pětrošová | Julian J. Lum | David R. Goodlett
Source: Current Opinion in Biotechnology (review, 2024-02-07)
Field: Chemistry — Spectroscopy

Mass spectrometry imaging methods for visualizing tumor heterogeneity Profiling spatial distributions of lipids, metabolites, and proteins in tumors can reveal unique cellular microenvironments and provide molecular evidence for cancer cell dysfunction and proliferation. Mass spectrometry imaging (MSI) is a label-free technique that can be used to map biomolecules in tumors in situ. Here, we discuss current progress in applying MSI to uncover molecular heterogeneity in tumors. First, the analytical strategies to profile small molecules and proteins are outlined, and current methods for multimodal imaging to maximize biological information are highlighted. Second, we present and summarize biological insights obtained by MSI of tumor tissue. Finally, we discuss important considerations for designing MSI experiments and several current analytical challenges. Mass spectrometry imaging ; Biomolecule ; Computational biology ; Profiling (computer programming) ; Molecular imaging ; Mass spectrometry ; Tumor heterogeneity ; Proteomics ; Computer science ; Chemistry ; Biology ; Cancer ; Biochemistry ; Chromatography Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Tanja Habeck | Kyle A. Brown | Benjamin J. Des Soye | Carter Lantz | Mowei Zhou | Novera Alam | Md Amin Hossain | Wonhyeuk Jung | James E. Keener | Michael Volný | Jesse Wilson | Yujia Ying | Jeffrey N. Agar | Paul O. Danis | Ying Ge | Neil L. Kelleher | Huilin Li | Joseph A. Loo | Michael T. Marty | Ljiljana Paša‐Tolić | Wendy Sandoval | Frederik Lermyte
Source: Nature Methods (article, 2024-05-14)
Field: Chemistry — Spectroscopy

Top-down mass spectrometry of native proteoforms and their complexes: a community study Top-down proteomics ; Proteomics ; Fragmentation (computing) ; Mass spectrometry ; Electrospray ionization ; Chemistry ; Computational biology ; Computer science ; Chromatography ; Protein mass spectrometry ; Biology ; Biochemistry Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies