jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Maria Strianese | Gerard Joseph D'Auria | Marina Lamberti | Alessandro Landi | Andrea Peluso | Antonio Varriale | Sabato D’Auria | Claudio Pellecchia
Source: Dalton Transactions (article, 2023-01-01)
Field: Chemistry — Spectroscopy

Salen, salan and salalen zinc(<scp>ii</scp>) complexes in the interaction with HS<sup>−</sup>: time-resolved fluorescence applications In the current work we investigate the route of interaction of a newly synthesized family of zinc complexes with HS<sup>-</sup> by a plethora of different spectroscopic techniques. A computational analysis on the time dependent density functional theory (TD-DFT) level explored the overall fluorescence properties of the title complexes and their different fluorescence responses to HS<sup>-</sup>. Time-resolved fluorescence experiments were also performed and highlight the great potential of the current systems to be implemented as HS<sup>-</sup> fluorescent sensors. Fluorescence ; Zinc ; Chemistry ; Density functional theory ; Computational chemistry ; Physics ; Organic chemistry ; Optics Molecular Sensors and Ion Detection ; Lanthanide and Transition Metal Complexes ; Metal complexes synthesis and properties
Authors: Debora Santonocito | Agata Campisi | Rosalia Pellitteri | Giovanni Sposito | Manuela Giovanna Basilicata | Giovanna Aquino | Giacomo Pepe | Maria Grazia Sarpietro | Maria Gaetana Giovanna Pittalà | Aurélie Schoubben | Rosario Pignatello | Carmelo Puglia
Source: Pharmaceutics (article, 2023-11-02)
Field: Chemistry — Organic Chemistry

Lipid Nanoparticles Loading Steroidal Alkaloids of Tomatoes Affect Neuroblastoma Cell Viability in an In Vitro Model Tomato by-products represent a good source of phytochemical compounds with health properties, such as the steroidal glycoalkaloid α-tomatine (α-TM) and its aglycone tomatidine (TD). Both molecules have numerous beneficial properties, such as potential anticancer activity. Unfortunately, their therapeutic application is limited due to stability and bioavailability issues. Therefore, a valid strategy seems to be their encapsulation into Solid Lipid Nanoparticles (SLN). The nanoformulations containing α-TM (α-TM-SLN) and TD (TD-SLN) were prepared by <i>solvent-diffusion</i> technique and subsequently characterized in terms of technological parameters (particle size, polydispersity index, zeta potential, microscopy, and calorimetric studies). To assess the effect of α-TM and TD on the percentage of cellular viability in Olfactory Ensheathing Cells (OECs), a peculiar glial cell type of the olfactory system used as normal cells, and in SH-SY5Y, a neuroblastoma cancer cell line, an MTT test was performed. In addition, the effects of empty, α-TM-SLN, and TD-SLN were tested. Our results show that the treatment of OECs with blank-SLN, free α-TM (0.25 µg/mL), and TD (0.50 µg/mL) did not induce any significant change in the percentage of cell viability when compared with the control. In contrast, in SH-SY5Y-treated cells, a significant decrease in the percentage of cell viability when compared with the control was found. In particular, the effect appeared more evident when SH-SY5Y cells were exposed to α-TM-SLN and TD-SLN. No significant effect in blank-SLN-treated SH-SY5T cells was observed. Therefore, SLN is a promising approach for the delivery of α-TM and TD. Solid lipid nanoparticle ; Viability assay ; Zeta potential ; Chemistry ; Bioavailability ; Neuroblastoma ; MTT assay ; Pharmacology ; Particle size ; Cell growth ; Dispersity ; In vitro ; Cell culture ; Nanoparticle ; Biochemistry ; Biology ; Nanotechnology ; Materials science ; Organic chemistry Edible Oils Quality and Analysis ; Essential Oils and Antimicrobial Activity ; Listeria monocytogenes in Food Safety
Authors: Diego Hidalgo‐Rojas | Juan M. Garcia-Garfido | Javier Enríquez | Ricardo Rojas‐Aedo | Robert Wheatley | Rubén A. Fritz | Dinesh Pratap Singh | Felipe Herrera | Birger Seifert
Source: Advanced Optical Materials (article, 2023-07-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Phase‐Coherent Optical Frequency Up‐Conversion with Millimeter‐Size Zn(3‐ptz)<sub>2</sub> Metal‐Organic Framework Single Crystals Abstract Metal‐organic frameworks (MOFs) have emerged as candidate materials for nonlinear optics due to their enhanced optical and chemical stability in comparison with conventional organic crystals. However, producing large single crystals that support perfect phase matching conditions for frequency conversion is a long‐standing challenge due to the highly metastable conditions in which MOF crystals tend to self‐assemble in solution. By modulating the synthesis and growth conditions, this limitation is overcome to produce millimeter–sized Zn(3‐ptz) 2 uniaxial MOF single crystals. Optimized MOF crystals with large birefringence in the visible Δ n ≈ −0.3 and high transparency allow for the observation of strong second‐harmonic (SHG) and third‐harmonic generation (THG) signals for the first time, using femtosecond near‐infrared pump pulses. For conditions of type‐I SHG phase‐matching, the measured effective nonlinear coefficient of Zn(3‐ptz) 2 is d eff ≈ 0.10 pm V −1 , the largest measured nonlinearity for MOF materials to date. The experiments quantitatively agree with first‐principles simulations based on the crystal lattice structure. The damage threshold is estimated on the order of 0.2 TW cm −2 for raw single crystals, which can be further increased with additional crystal engineering steps. The demonstration of efficient frequency up‐conversion of light with long‐range phase coherence establishes MOF single crystals as promising materials for nonlinear optical devices. Materials science ; Birefringence ; Femtosecond ; Second-harmonic generation ; Nonlinear optics ; Optoelectronics ; Millimeter ; Phase (matter) ; Metastability ; Crystal (programming language) ; Single crystal ; Laser ; Optics ; Crystallography Nonlinear Optical Materials Research ; Metal-Organic Frameworks: Synthesis and Applications ; Crystallography and molecular interactions
Authors: Jianbo Jiang | Nannan Li | Qinglin Li | Zaihao Jiang | Bingqin Wang | Yinyin He | Fangfang Liu | Chao Liu
Source: Metals (article, 2023-04-23)
Field: Materials Science — Materials Chemistry

Effect of Ca and Sb on the Corrosion Resistance of E690 Steel in Marine Atmosphere Environment This study investigates the impact of Ca and Sb elements on the corrosion resistance of E690 steel in a simulated marine environment. Electrochemical testing and dry/wet cyclic corrosion testing were conducted on prepared E690 steel specimens. The eroded specimens’ microstructure was observed under a scanning electron microscope, and the inclusion morphology was analyzed using an energy-dispersive spectrometer (EDS). The simulating liquid was designed to emulate the severe marine atmospheric environment in Xisha. Results showed that the addition of Ca and Sb elements effectively enhances the corrosion resistance of E690 steel in the simulated marine environment. The corrosion rates of E690 steel specimens with Ca and Sb additions were lower than those without, and the corrosion morphology was more uniform. These findings suggest that the addition of Ca and Sb elements can improve the corrosion resistance of E690 steel in simulated marine environments and have potential for use in marine engineering applications. Corrosion ; Metallurgy ; Materials science ; Scanning electron microscope ; Microstructure ; Atmosphere (unit) ; Optical microscope ; Morphology (biology) ; Composite material ; Geology Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Hojung Kwak | Joonggon Kim | Eun Jin Lee | Jinho Hyun
Source: ACS Omega (article, 2023-12-26)
Field: Materials Science — Biomaterials

Enhanced Preservation of Climacteric Fruit with a Cellulose Nanofiber-Based Film Coating Bananas are a typical climacteric fruit with high respiration and ethylene production rates after harvest, and they show rapid ripening-senescence phenotypes. Here, we demonstrate that carboxymethylcellulose nanofibers (CM-CNFs) and red cabbage extracts (RCE) can be used as a unique film coating formulation for enhancement of the shelf-life of fruit. A CM-CNF suspension solution is created through a process involving chemical modification, followed by mechanical grinding. It has a high aspect ratio that allows for the creation of a thin and transparent film on the surface of bananas. The cross-linked CM-CNF hydrogel forms a dense film layer on the banana surface during dehydration and prevents respiration and weight loss. RCE contains polyphenols acting as antioxidants, which prevent the appearance of black dots on the banana peels. It serves to mitigate the browning of banana skins and also hinders the respiration process, consequently slowing the aging of bananas. Climacteric ; Coating ; Ripening ; Cellulose ; Browning ; Nanofiber ; Materials science ; Dehydration ; Shelf life ; Ethylene ; Respiration ; Respiration rate ; Chemistry ; Food science ; Botany ; Composite material ; Biochemistry ; Biology ; Catalysis Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Electrospun Nanofibers in Biomedical Applications
Authors: Son‐Tung Nguyen | Cuong Q. Nguyen | Nguyen N. Hieu | Huynh V. Phuc | Chương V. Nguyen
Source: Nanoscale Advances (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

First-principles investigations of metal–semiconductor MoSH@MoS<sub>2</sub> van der Waals heterostructures Two-dimensional (2D) metal-semiconductor heterostructures play a critical role in the development of modern electronics technology, offering a platform for tailored electronic behavior and enhanced device performance. Herein, we construct a novel 2D metal-semiconductor MoSH@MoS<sub>2</sub> heterostructure and investigate its structures, electronic properties and contact characteristics using first-principles investigations. We find that the MoSH@MoS<sub>2</sub> heterostructure exhibits a p-type Schottky contact, where the specific Schottky barrier height varies depending on the stacking configurations employed. Furthermore, the MoSH@MoS<sub>2</sub> heterostructures possess low tunneling probabilities, indicating a relatively low electron transparency across all the patterns of the MoSH@MoS<sub>2</sub> heterostructures. Interestingly, by modulating the electric field, it is possible to modify the Schottky barriers and achieve a transformation from a p-type Schottky contact into an n-type Schottky contact. Our findings pave the way for the development of advanced electronics technology based on metal-semiconductor MoSH@MoS<sub>2</sub> heterostructures with enhanced tunability and versatility. Heterojunction ; Semiconductor ; van der Waals force ; Electronics ; Materials science ; Optoelectronics ; Nanotechnology ; Semiconductor device ; Metal ; Engineering physics ; Physics ; Electrical engineering ; Engineering ; Quantum mechanics ; Molecule 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: M. C. Anish | Krishna K. Pandey | Rakesh Kumar
Source: Scientific Reports (article, 2023-09-09)
Field: Materials Science — Biomaterials

Transparent wood composite prepared from two commercially important tropical timber species Transparent wood (TW) has garnered significant global attention due to its unique properties. In this study, TW composites were fabricated using two timber species of different density classes: Ailanthus triphysa (common name: Ailanthus wood) and Hevea brasiliensis (common name: Rubberwood). Sodium hydroxide (NaOH) and Hydrogen peroxide-based alkali method was used to modify the lignin in these veneer samples, producing a white cellulose template with a fully intact hierarchical cell structure. Subsequently, a cost-effective thermosetting unsaturated polyester resin (UPR) was infiltrated into the redesigned framework and polymerized to create rigid nanostructured transparent composites. High optical haze (of 94% and 89%) and favourable light transmittance of 59 and 55 percent were exhibited by the UPR-TW composites made from rubberwood and ailanthus wood, respectively. TW was characterised using Scanning electron microscopy and Fourier-transform infrared spectroscopy. The mechanical properties of TW were measured and compared with those of natural wood and pure-polymer. Furthermore, the anisotropic light diffusion behaviour displayed by TW in accordance with the fibre orientation indicates the utility of material as a potential light shaping device. Therefore, a cost-effective and commercially viable strategy to fabricate multipurpose TW composites using a combination of lesser-known timber species (LKTS) and UPR resin was successfully demonstrated. Materials science ; Composite material ; Lignin ; Sodium hydroxide ; Cellulose ; Pulp and paper industry ; Chemical engineering ; Chemistry Advanced Cellulose Research Studies ; Lignin and Wood Chemistry ; Wood Treatment and Properties
Authors: A. Mazzone | Mattia Lopresti | Benny Danilo Belviso | Rocco Caliandro
Source: Journal of Applied Crystallography (article, 2023-10-20)
Field: Materials Science — Materials Chemistry

New features of the <i>RootProf</i> program for model-free analysis of unidimensional profiles The RootProf computer program applies multivariate model-free analysis to crystallographic data and to any x , y experimental data in general. It has been enhanced with several new features, including a graphical user interface, multithreading implementation and additional pre-processing options. The program also includes novel qualitative analysis methods, such as semiquantitative estimates derived from principal component analysis (PCA) and restrained PCA to extract the diffraction signal from active atoms. Additional quantitative analysis methods have been included, involving the combination of different datasets or the application of the standard addition method as well as tools for crystallinity analysis, kinetic analysis and extraction of free crystal cell parameters from a pair distribution function profile. The ROOT data analysis framework supports the program and can be installed on the current major platforms such as Windows, Linux and Mac OSX with detailed user documentation included. Applications of the new developments are presented and discussed in the paper, and related command files are provided as supporting information. Principal component analysis ; Computer science ; Multithreading ; Graphical user interface ; Documentation ; Crystallinity ; Data mining ; Computer program ; Computational science ; Crystallography ; Chemistry ; Programming language ; Artificial intelligence X-ray Diffraction in Crystallography ; Crystallization and Solubility Studies ; Crystallography and molecular interactions
Authors: Muhammad Sufyan Ramzan | Caterina Cocchi
Source: Nanomaterials (article, 2023-10-10)
Field: Materials Science — Materials Chemistry

Strained Monolayer MoTe2 as a Photon Absorber in the Telecom Range To achieve the atomistic control of two-dimensional materials for emerging technological applications, such as valleytronics, spintronics, and single-photon emission, it is of paramount importance to gain an in-depth understanding of their structure-property relationships. In this work, we present a systematic analysis, carried out in the framework of density-functional theory, on the influence of uniaxial strain on the electronic and optical properties of monolayer MoTe<sub>2</sub>. By spanning a ±10% range of deformation along the armchair and zigzag direction of the two-dimensional sheet, we inspect how the fundamental gap, the dispersion of the bands, the frontier states, and the charge distribution are affected by strain. Under tensile strain, the system remains a semiconductor but a direct-to-indirect band gap transition occurs above 7%. Compressive strain, instead, is highly direction-selective. When it is applied along the armchair edge, the material remains a semiconductor, while along the zigzag direction a semiconductor-to-metal transition happens above 8%. The characteristics of the fundamental gap and wave function distribution are also largely dependent on the strain direction, as demonstrated by a thorough analysis of the band structure and of the charge density. Additional ab initio calculations based on many-body perturbation theory confirm the ability of strained MoTe<sub>2</sub> to absorb radiation in the telecom range, thus suggesting the application of this material as a photon absorber upon suitable strain modulation. Zigzag ; Materials science ; Condensed matter physics ; Valleytronics ; Semiconductor ; Band gap ; Density functional theory ; Spintronics ; Electronic band structure ; Direct and indirect band gaps ; Optoelectronics ; Nanotechnology ; Physics ; Ferromagnetism ; Quantum mechanics 2D Materials and Applications ; Topological Materials and Phenomena ; Perovskite Materials and Applications
Authors: Jun Yang | Samik Mukherjee | Sebastian Lehmann | Fabian Krahl | Xiaoyu Wang | Pavel Potapov | Axel Lubk | Tobias Ritschel | J. Geck | Kornelius Nielsch
Source: Small (article, 2023-10-25)
Field: Materials Science — Materials Chemistry

Low‐Temperature ALD of SbO<i><sub>x</sub></i>/Sb<sub>2</sub>Te<sub>3</sub> Multilayers with Boosted Thermoelectric Performance Nanoscale superlattice (SL) structures have proven to be effective in enhancing the thermoelectric (TE) properties of thin films. Herein, the main phase of antimony telluride (Sb<sub>2</sub> Te<sub>3</sub> ) thin film with sub-nanometer layers of antimony oxide (SbO<sub>x</sub> ) is synthesized via atomic layer deposition (ALD) at a low temperature of 80 °C. The SL structure is tailored by varying the cycle numbers of Sb<sub>2</sub> Te<sub>3</sub> and SbO<sub>x</sub> . A remarkable power factor of 520.8 µW m<sup>-1</sup> K<sup>-2</sup> is attained at room temperature when the cycle ratio of SbO<sub>x</sub> and Sb<sub>2</sub> Te<sub>3</sub> is set at 1:1000 (i.e., SO:ST = 1:1000), corresponding to the highest electrical conductivity of 339.8 S cm<sup>-1</sup> . The results indicate that at the largest thickness, corresponding to ten ALD cycles, the SbOx layers act as a potential barrier that filters out the low-energy charge carriers from contributing to the overall electrical conductivity. In addition to enhancing the scattering of the mid-to-long-wavelength at the SbO<sub>x</sub> /Sb<sub>2</sub> Te<sub>3</sub> interface, the presence of the SbO<sub>x</sub> sub-layer induces the confinement effect and strain forces in the Sb<sub>2</sub> Te<sub>3</sub> thin film, thereby effectively enhancing the Seebeck coefficient and reducing the thermal conductivity. These findings provide a new perspective on the design of SL-structured TE materials and devices. Thermoelectric effect ; Seebeck coefficient ; Atomic layer deposition ; Antimony ; Materials science ; Thermoelectric materials ; Optoelectronics ; Thermal conductivity ; Superlattice ; Thin film ; Electrical resistivity and conductivity ; Nanotechnology ; Electrical engineering ; Physics ; Composite material ; Metallurgy Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; Thermal Radiation and Cooling Technologies
Authors: Seoung Young Ryu | Hyunji Lee | Younggi Hong | Harshad A. Bandal | Munju Goh | Hern Kim | Joohyung Lee
Source: Advanced Materials Interfaces (article, 2023-03-21)
Field: Materials Science — Materials Chemistry

Vitrification of Liquid Metal‐in‐Oil Emulsions Using Nano‐Mineral Oxides Abstract Ga and Ga‐based alloys have recently received significant attention as “liquid metals (LMs)” with the combined advantages of a low toxicity, low melting point, high fluidity, and high conductivity. An important method for modifying LMs for enhanced processabilities and new applications is to tailor them into colloidal microdroplets suspended in a liquid medium. In this study, the unique vitrification behavior of oil‐based colloidal systems is shown with suspended LM microdroplets induced by various mineral oxide (MO) nanoparticles that are added as solid rheology modifiers. MOs exhibit a high affinity for the surfaces of suspended LM droplets in an apolar oil medium due to the polar interaction between the MO surface and the oxide skin of the LM. Thus, even minute amounts of added MOs (Φ MO &lt; 0.01) transform a free‐flowing LM suspension (Φ MO ≈ 0.55) into a highly viscoelastic fluid that enables advanced processing (e.g., 3D printing). At high MO loadings (Φ MO ≥ 0.1), an emulsion with unprecedentedly high rheological strength is obtained, characterized by a yield stress of ≈10 4 Pa. In highly vitrified emulsions, partial sintering effects are induced by high internal sample stress, which improves the thermophysical properties of emulsions that may be useful for several practical applications. Materials science ; Rheology ; Vitrification ; Chemical engineering ; Colloid ; Suspension (topology) ; Mineral oil ; Sintering ; Emulsion ; Oxide ; Metal ; Composite material ; Metallurgy Pickering emulsions and particle stabilization ; Surface Modification and Superhydrophobicity ; Polymer composites and self-healing
Authors: Tianlong Guo | Fangfang Li | M. Roussey
Source: Nanomaterials (article, 2023-04-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dielectric Cavity-Insulator-Metal (DCIM) Metamaterial Absorber in Visible Range For many years, metamaterial absorbers have received much attention in a wide range of application fields. There is an increasing need to search for new design approaches that fulfill more and more complex tasks. According to the specific application requirements, design strategy can vary from structure configurations to material selections. A new combination of a dielectric cavity array, dielectric spacer, and gold reflector as a metamaterial absorber is proposed and theoretically studied in this work. The complexity of the dielectric cavities leads to a more flexible optical response than traditional metamaterial absorbers. It gives a new dimension of freedom for a real three-dimensional metamaterial absorber design. Metamaterial ; Metamaterial absorber ; Dielectric ; Materials science ; Optoelectronics ; Reflector (photography) ; Optics ; Tunable metamaterials ; Physics ; Light source Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Enildo Tales Ferreira | Nayely Pineda-Romero | Walter José Botta Filho | Guilherme Zepon | Claudia Zlotea
Source: Intermetallics (article, 2023-07-04)
Field: Materials Science — Materials Chemistry

Tuning the hydride stability of the TiVNb-based alloys by equimolar Cr/Al addition Hydride ; Materials science ; Alloy ; Desorption ; Decomposition ; Microstructure ; Hydrogen ; Hydrogen storage ; Plateau (mathematics) ; Bar (unit) ; Absorption (acoustics) ; Chemical stability ; Thermodynamics ; Analytical Chemistry (journal) ; Chemical engineering ; Physical chemistry ; Metallurgy ; Metal ; Composite material ; Chemistry ; Adsorption ; Organic chemistry Hydrogen Storage and Materials ; High Entropy Alloys Studies ; Nuclear Materials and Properties