jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mostafa F. Al-Hakkani | Nourhan Ahmed | Mohammad H.A. Hassan
Source: Scientific Reports (article, 2023-06-25)
Field: Chemistry — Spectroscopy

Rapidly, sensitive quantitative assessment of thiopental via forced stability indicating validated RP-HPLC method and its in-use stability activities Thiopental sodium (Tho) is an intravenous anesthetic. The current study aimed to find a rapid RP-HPLC method of Tho analysis with high linearity, repeatability, sensitivity, selectivity, and inexpensive. In our developed method, there is no need to use special chemical reagents, a high percentage of organic solvent, a high flow rate, or a further guard column. The chromatographic system consists of an ODS column (150 mm × 4.6 mm × 5 μm). The mobile phase was prepared by mixing KH<sub>2</sub>PO<sub>4</sub> solution: methanol (40:60) with a flow rate of 1.2 mL/min at a detection wavelength of 230 nm, at room temperature using an injection volume of 10 μL. The method manifested a satisfied linearity regression R<sup>2</sup> (0.9997) with a good repeatability precision range (0.16-0.47%) with LOD and LOQ; 14.4 μg/mL and 43.6 μg/mL respectively. Additionally, the method proved its efficiency via system suitability achievement in robustness and ruggedness, according to the validation guidelines. The shorter analysis time makes the method very valuable in quality control to quantify the commercial Tho in pharmaceutical preparations. This improved HPLC method has been successfully applied for Tho analysis for Thiopental UP Pharma 500 mg vials and Thiopental Eipico 1.0 g vials in our routine finished and stability studies testing laboratories. Additionally, the detection limit of Tho has been tested in our quality control lab to detect the smallest amount of traces that may be present after the cleaning process of the production machines for cephalosporins preparations. The method has shown positive results for Tho in low-level raw materials and pharmaceutical formulations. Repeatability ; Chromatography ; High-performance liquid chromatography ; Detection limit ; Volumetric flow rate ; Solvent ; Reproducibility ; Accuracy and precision ; Chemistry ; Linearity ; Methanol ; Analytical Chemistry (journal) ; Mathematics Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Sensors
Authors: Md. Shah Alam | Ryan Laing | Zhanibek Bolatbek | Remona Heenkenda | Rudra Gnawali | Tamara Payne | Andrew Sarangan | Joshua R. Hendrickson | Imad Agha
Source: Advanced Functional Materials (article, 2023-12-22)
Field: Materials Science — Materials Chemistry

Fast Cycling Speed with Multimillion Cycling Endurance of Ultra‐Low Loss Phase Change Material (Sb<sub>2</sub>Se<sub>3</sub>) by Engineered Laser Pulse Irradiation Abstract Programmable and reconfigurable photonics is revolutionized the next generation of Si/SiN‐based photonics processors, optical signal processing, and neural and quantum networks. Ultra‐low loss phase‐change technology has the enormous potential to offer energy‐efficient, extra large‐scale integrated (ELSI) nonvolatile programmable photonics that can overcome the limitations of commonly used volatile and energy‐hungry programmable photonic systems. So far, most of the phase change materials (PCM) devices have already shown to be suitable for programmable and reconfigurable photonic circuit applications that do not require extreme endurance or ultra‐fast switching speeds. However, applications with ultra‐fast speed and multi‐million cycling requirements, such as memory cells, quantum computing, optical displays, and optical modulators necessitate enormous improvements in the existing cycling speed and endurance of PCMs, for high‐performance device configuration. Here, optical switching of an ultra‐low loss PCM (Sb 2 Se 3 ) is demonstrated with an unprecedented combination of rapid cycling speed (0.6 × 10 5 cycles s −1 ) and extreme endurance (&gt; 2 × 10 6 cycles) that pave the way for ultrafast, large‐scale, programmable, and reconfigurable integrated photonic circuits and devices. Photonics ; Materials science ; Optical switch ; Ultrashort pulse ; Optoelectronics ; Laser ; Optics ; Physics Phase-change materials and chalcogenides ; Photonic and Optical Devices ; Neural Networks and Reservoir Computing
Authors: Mhanna Mhanna | Mohamed Sy | Aamir Farooq
Source: Scientific Reports (article, 2023-01-28)
Field: Chemistry — Spectroscopy

A selective laser-based sensor for fugitive methane emissions A mid-infrared laser-based sensor is reported for the quantification of fugitive methane emissions. The sensor is based on a distributed feedback inter-band cascade laser operating near 3.3 μm. Wavelength tuning with cepstral analysis is employed to isolate methane absorbance from (1) fluctuations in the baseline laser intensity, and (2) interfering species. Cepstral analysis creates a modified form of the time-domain molecular free-induction-decay (m-FID) signal to temporally separate optical and molecular responses. The developed sensor is insensitive to baseline laser intensity imperfections and spectral interference from other species. Accurate measurements of methane in the presence of a representative interfering species, benzene, are performed by careful selection of the scan index (ratio of laser tuning range to spectral linewidth) and initial and final time of m-FID signal fitting. The minimum detection limit of the sensor is ~ 110 ppm which can be enhanced with an optical cavity. The proposed sensing strategy can be utilized to measure methane leaks in harsh environments and in the presence of interfering species in environment-monitoring applications. Laser linewidth ; Methane ; Laser ; Absorbance ; Materials science ; SIGNAL (programming language) ; Interference (communication) ; Wavelength ; Detection limit ; Optics ; Environmental science ; Analytical Chemistry (journal) ; Optoelectronics ; Chemistry ; Computer science ; Physics ; Environmental chemistry ; Telecommunications Spectroscopy and Laser Applications ; Atmospheric and Environmental Gas Dynamics ; Atmospheric Ozone and Climate
Authors: Wenrong Chen | Zhengming Ding | Yong Zang | Xiaowen Liu
Source: Journal of Proteome Research (article, 2023-09-20)
Field: Chemistry — Spectroscopy

Characterization of Proteoform Post-Translational Modifications by Top-Down and Bottom-Up Mass Spectrometry in Conjunction with Annotations Many proteoforms can be produced from a gene due to genetic mutations, alternative splicing, post-translational modifications (PTMs), and other variations. PTMs in proteoforms play critical roles in cell signaling, protein degradation, and other biological processes. Mass spectrometry (MS) is the primary technique for investigating PTMs in proteoforms, and two alternative MS approaches, top-down and bottom-up, have complementary strengths. The combination of the two approaches has the potential to increase the sensitivity and accuracy in PTM identification and characterization. In addition, protein and PTM knowledge bases, such as UniProt, provide valuable information for PTM characterization and verification. Here, we present a software pipeline PTM-TBA (PTM characterization by Top-down and Bottom-up MS and Annotations) for identifying and localizing PTMs in proteoforms by integrating top-down and bottom-up MS as well as PTM annotations. We assessed PTM-TBA using a technical triplicate of bottom-up and top-down MS data of SW480 cells. On average, database search of the top-down MS data identified 2000 mass shifts, 814.5 (40.7%) of which were matched to 11 common PTMs and 423 of which were localized. Of the mass shifts identified by top-down MS, PTM-TBA verified 435 mass shifts using the bottom-up MS data and UniProt annotations. UniProt ; Top-down proteomics ; Mass spectrometry ; Pipeline (software) ; Chemistry ; Computational biology ; Top-down and bottom-up design ; Proteome ; Identification (biology) ; Computer science ; Alternative splicing ; Tandem mass spectrometry ; Gene ; Biology ; Selected reaction monitoring ; Chromatography ; Biochemistry ; Messenger RNA ; Programming language Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; RNA and protein synthesis mechanisms
Authors: Soheila Sharafinia | Alimorad Rashidi | Farnoush Tabarkhoon | Fahime Dehghan | Farnaz Tabarkhoon | Mohammad Bazmi
Source: Scientific Reports (article, 2023-12-20)
Field: Chemistry — Organic Chemistry

Effective adsorption of amoxicillin by using UIO-66@ Cr-MIL-101 nanohybrid: isotherm, kinetic, thermodynamic, and optimization by central composite design In this research, the amoxicillin (AMX) removal was studied on a prepared nanosorbent from MOFs. The aim of this research work is to prepare nanohybrids based on metal-organic frameworks (MOFs) as an efficient nanosorbent for the absorption of amoxicillin drug. In this study, UIO-66 nanoparticles (UIO-66 NPs) were prepared from Zirconium (Zr) metal and 1,4-benzene dicarboxylic acid (BDC). Then UIO-66@Cr-MIL-101 nanohybrid was synthesized by hydrothermal method. Structural and physicochemical properties of nanohybrid UIO-66@Cr-MIL-101 were characterized by different analyses such as X-ray diffraction analysis (XRD), fourier transform infrared spectrometer (FT-IR), scanning electron microscopy (SEM), energy dispersive X-ray (EDX), transmission electron microscopy (TEM), therapeutic goods administration (TGA), and Brunauer-Emmett-Teller (BET). The effect of four fundamental variables effective on adsorption was optimized by the central composite response surface methodology (CCRSM). This parameters including loading percentage of Cr-MIL-101 NPs (10-30%), initial concentration of AMX (20-140 mg L<sup>-1</sup>), contact time (20-60 min), and pH (20-10). The removal percentage (Re%) of AMX equal to 99.50% was obtained under the following conditions: The loading value of 20% Wt%, the initial concentration of AMX 80 mg L<sup>-1</sup>, contact time 20 min, and pH = 6. Also, the experimental data were investigated with famous kinetic models and isotherms, and it was observed that AMX removal by nanohybrid is correlated with the PSO kinetic model and Langmuir isotherm. Adsorption ; Composite number ; Amoxicillin ; Kinetic energy ; Kinetics ; Thermodynamics ; Central composite design ; Materials science ; Chemistry ; Chemical engineering ; Physical chemistry ; Chromatography ; Physics ; Biochemistry ; Response surface methodology ; Composite material ; Engineering ; Antibiotics Nanomaterials for catalytic reactions ; Analytical chemistry methods development ; Adsorption and biosorption for pollutant removal
Authors: Cezar C. Comanescu
Source: Crystals (article, 2023-05-27)
Field: Materials Science — Materials Chemistry

Graphene Supports for Metal Hydride and Energy Storage Applications Energy production, distribution, and storage remain paramount to a variety of applications that reflect on our daily lives, from renewable energy systems, to electric vehicles and consumer electronics. Hydrogen is the sole element promising high energy, emission-free, and sustainable energy, and metal hydrides in particular have been investigated as promising materials for this purpose. While offering the highest gravimetric and volumetric hydrogen storage capacity of all known materials, metal hydrides are plagued by some serious deficiencies, such as poor kinetics, high activation energies that lead to high operating temperatures, poor recyclability, and/or stability, while environmental considerations related to the treatment of end-of-life fuel disposal are also of concern. A strategy to overcome these limitations is offered by nanotechnology, namely embedding reactive hydride compounds in nanosized supports such as graphene. Graphene is a 2D carbon material featuring unique mechanical, thermal, and electronic properties, which all recommend its use as the support for metal hydrides. With its high surface area, excellent mechanical strength, and thermal conductivity parameters, graphene can serve as the support for simple and complex hydrides as well as RHC (reactive hydride composites), producing nanocomposites with very attractive hydrogen storage properties. Hydrogen storage ; Hydride ; Materials science ; Energy storage ; Graphene ; Renewable energy ; Thermal stability ; Nanocomposite ; Hydrogen fuel ; Nanotechnology ; Hydrogen ; Chemical engineering ; Metal ; Composite material ; Metallurgy ; Chemistry ; Organic chemistry ; Electrical engineering ; Engineering ; Thermodynamics Hydrogen Storage and Materials ; Ammonia Synthesis and Nitrogen Reduction ; Nanomaterials for catalytic reactions
Authors: Sandra Vasilijević | Rassen Boukraa | Nicolas Battaglini | Benoı̂t Piro
Source: Synthetic Metals (article, 2023-04-24)
Field: Materials Science — Materials Chemistry

Graphene-based materials and their applications in electrolyte-gated transistors for sensing Graphene ; Nanotechnology ; Materials science ; Field-effect transistor ; Biosensor ; Transistor ; Oxide ; Fabrication ; Doping ; Electrolyte ; Optoelectronics ; Electrical engineering ; Voltage ; Chemistry ; Electrode ; Engineering Graphene research and applications ; Graphene and Nanomaterials Applications ; Electrochemical sensors and biosensors
Authors: Hyunsu Jeon | Runyao Zhu | Gaeun Kim | Yichun Wang
Source: Frontiers in Chemistry (article, 2023-08-02)
Field: Materials Science — Materials Chemistry

Chirality-enhanced transport and drug delivery of graphene nanocarriers to tumor-like cellular spheroid Chirality, defined as "a mirror image," is a universal geometry of biological and nonbiological forms of matter. This geometry of molecules determines how they interact during their assembly and transport. With the development of nanotechnology, many nanoparticles with chiral geometry or chiroptical activity have emerged for biomedical research. The mechanisms by which chirality originates and the corresponding synthesis methods have been discussed and developed in the past decade. Inspired by the chiral selectivity in life, a comprehensive and in-depth study of interactions between chiral nanomaterials and biological systems has far-reaching significance in biomedicine. Here, we investigated the effect of the chirality of nanoscale drug carriers, graphene quantum dots (GQDs), on their transport in tumor-like cellular spheroids. Chirality of GQDs (<i>L/D</i>-GQDs) was achieved by the surface modification of GQDs with <i>L/D</i>-cysteines. As an <i>in-vitro</i> tissue model for drug testing, cellular spheroids were derived from a human hepatoma cell line (i.e<i>.</i>, HepG2 cells) using the Hanging-drop method. Our results reveal that the <i>L</i>-GQDs had a 1.7-fold higher apparent diffusion coefficient than the <i>D</i>-GQDs, indicating that the <i>L</i>-GQDs can enhance their transport into tumor-like cellular spheroids. Moreover, when loaded with a common chemotherapy drug, Doxorubicin (DOX), via π-π stacking, <i>L</i>-GQDs are more effective as nanocarriers for drug delivery into solid tumor-like tissue, resulting in 25% higher efficacy for cancerous cellular spheroids than free DOX. Overall, our studies indicated that the chirality of nanocarriers is essential for the design of drug delivery vehicles to enhance the transport of drugs in a cancerous tumor. Nanocarriers ; Chirality (physics) ; Drug delivery ; Nanotechnology ; Spheroid ; Nanomaterials ; Nanomedicine ; Biophysics ; Graphene ; Nanoparticle ; Drug carrier ; Targeted drug delivery ; Materials science ; Chemistry ; In vitro ; Physics ; Biochemistry Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Graphene and Nanomaterials Applications
Authors: Nicola Antonio Di Spirito | Nino Grizzuti | Mosè Casalegno | Franca Castiglione | Rossana Pasquino
Source: International Journal of Pharmaceutics (article, 2023-08-28)
Field: Chemistry — Organic Chemistry

Phase transitions of aqueous solutions of Pluronic F68 in the presence of Diclofenac Sodium In recent years, advancements in bioengineering and materials science have witnessed increasing interest in synthetic polymers capable of fulfilling various applications. Owing to their distinctive properties, Pluronics can be used as nano-drug carriers, to deliver poorly water-soluble drugs, and as model systems to study colloidal science by tuning amphiphilic properties. In this work, we investigated the effect of diclofenac sodium on the self-assembly and thermoresponsive crystallization of Pluronic F68 in water solutions, by employing experimental rheology and Nuclear Magnetic Resonance (NMR). We built a complete phase diagram as a function of temperature and concentration for 45 wt% Pluronic F68 with various amounts of diclofenac sodium in water. The morphological transitions were followed as a function of temperature via linear rheology. We extrapolated the transition temperatures - identifying distinct phases - as a function of the drug concentration and proposed an empirical model for their prediction. NMR analysis provided further information on the structural characteristics of the systems, shedding light on the interactions between F68 and diclofenac sodium. Although dealing with a pharmaceutical salt, the study is focused on a colloidal system and its interaction with a binding molecule, that is of general interest for colloidal science. Diclofenac Sodium ; Poloxamer ; Aqueous solution ; Colloid ; Amphiphile ; Rheology ; Chemical engineering ; Polymer ; Chemistry ; Materials science ; Phase (matter) ; Sodium ; Chromatography ; Organic chemistry ; Copolymer Surfactants and Colloidal Systems ; Rheology and Fluid Dynamics Studies ; Material Dynamics and Properties
Authors: Songshan Cao | Jun Cao | Hualun Zhu | Yaji Huang | Baosheng Jin | Massimiliano Materazzi
Source: Fuel (article, 2023-08-09)
Field: Materials Science — Materials Chemistry

Removal of HCl from gases using modified calcined Mg-Al-CO3 hydrotalcite: Performance, mechanism, and adsorption kinetics Hydrotalcite ; Calcination ; Chemistry ; Coprecipitation ; Adsorption ; Chlorine ; Kinetics ; Nuclear chemistry ; Magnesium ; Inorganic chemistry ; Catalysis ; Organic chemistry Layered Double Hydroxides Synthesis and Applications ; Industrial Gas Emission Control ; Carbon Dioxide Capture Technologies
Authors: Dawei Yao | Phuoc Hoang Ho | Rojin Feizie Ilmasani | Johann C. Wurzenberger | Thomas Glatz | Derek Creaser | Louise Olsson
Source: Chemical Engineering Journal (article, 2023-02-02)
Field: Materials Science — Materials Chemistry

Enhanced CO resistance of Pd/SSZ-13 for passive NOx adsorption Passive NOx adsorption (PNA) is a novel technology to control NOx emissions during cold start. However, the recent generation of PNA material, Pd/zeolite, suffers from major degradation under high CO concentrations. In this work, we developed a novel form of Pd/SSZ-13 by using a freeze-drying process after incipient wetness impregnation. This Pd/SSZ-13 showed a better stability than the sample synthesized by the common process. Several characterization measurements were conducted and it was found that the Pd sites on the freeze-dried sample were more resistant towards CO-induced agglomeration. By combing in-situ characterization and kinetic modeling, we found that the freeze-dried Pd/SSZ-13 had more ion-exchanged Pd sites, which provided greater resistance towards the CO-induced Ostwald ripening process, and consequently suppressed the sintering behavior under a high CO concentration. This material offers a potentially improved stability of PNAs under extremely high CO concentration pulses from incomplete diesel combustion during engine cold start. NOx ; Chemical engineering ; Chemistry ; Adsorption ; Diesel fuel ; Incipient wetness impregnation ; Materials science ; Combustion ; Catalysis ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Industrial Gas Emission Control
Authors: Morteza Nadi | Seyed Hassan Sedighy | A. Cheldavi
Source: Scientific Reports (article, 2023-09-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multimode OAM beam generation through 1-bit programmable metasurface antenna modern wireless communication, the orbital angular momentum (OAM) beam is considered as an important technology. Some considerable efforts have been devoted to using this technology for channel capacity enhancement as much as possible. Nowadays, programmable metasurfaces provide an innovational scenario for generating multi-mode OAM beams due to their ability for digital electromagnetic waves modulation. However, the current programmable metasurfaces for generating OAM beams are typically based on reflective and transmissive modes, which have low aperture efficiency due to spillover and illumination effects. In this paper, a 1-bit programmable metasurface antenna is proposed with capability of producing highly efficient dynamic multi-mode OAM beams. The proposed structure is consisted of electronically reconfigurable meta-radiating elements loaded by PIN diodes to generate two-phase states of electric field. The designed Field Programmable Gate Array (FPGA) can assign a code sequence of 0 or 1 to the metasurface antenna in real-time to generate multi-mode OAM beams. Hence, a dynamical surface is obtained by switching PIN diodes to change the phase distribution on the surface. To verify the concept, the metasurface antenna is fabricated and measured with different OAM beam states, which are in agreement with the full-wave simulations, properly. The designed structure introduces a capable multi-mode OAM alternative for high throughput mm-wave communications. PIN diode ; Antenna (radio) ; Computer science ; Beam (structure) ; Optics ; Field-programmable gate array ; Gate array ; Beam steering ; Modulation (music) ; Angular momentum ; Reconfigurable antenna ; Diode ; Physics ; Electronic engineering ; Optoelectronics ; Telecommunications ; Radiation pattern ; Computer hardware ; Engineering ; Acoustics ; Antenna efficiency Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Emigdio Chávez‐Ángel | Polychronis Tsipas | Peng Xiao | Mohammad Taghi Ahmadi | Abdalghani Daaoub | Hatef Sadeghi | Clivia M. Sotomayor Torres | A. Dimoulas | Alexandros El Sachat
Source: Nano Letters (article, 2023-07-19)
Field: Materials Science — Materials Chemistry

Engineering Heat Transport Across Epitaxial Lattice-Mismatched van der Waals Heterointerfaces Artificially engineered 2D materials offer unique physical properties for thermal management, surpassing naturally occurring materials. Here, using van der Waals epitaxy, we demonstrate the ability to engineer extremely insulating thermal metamaterials based on atomically thin lattice-mismatched Bi<sub>2</sub>Se<sub>3</sub>/MoSe<sub>2</sub> superlattices and graphene/PdSe<sub>2</sub> heterostructures with exceptional thermal resistances (70-202 m<sup>2</sup> K/GW) and ultralow cross-plane thermal conductivities (0.012-0.07 W/mK) at room temperature, comparable to those of amorphous materials. Experimental data obtained using frequency-domain thermoreflectance and low-frequency Raman spectroscopy, supported by tight-binding phonon calculations, reveal the impact of lattice mismatch, phonon-interface scattering, size effects, temperature, and interface thermal resistance on cross-plane heat dissipation, uncovering different thermal transport regimes and the dominant role of long-wavelength phonons. Our findings provide essential insights into emerging synthesis and thermal characterization methods and valuable guidance for the development of large-area heteroepitaxial van der Waals films of dissimilar materials with tailored thermal transport characteristics. Materials science ; van der Waals force ; Phonon ; Condensed matter physics ; Raman spectroscopy ; Thermal conductivity ; Heterojunction ; Amorphous solid ; Epitaxy ; Thermal ; Superlattice ; Chemical physics ; Nanotechnology ; Optoelectronics ; Optics ; Chemistry ; Composite material ; Thermodynamics ; Crystallography ; Physics Thermal properties of materials ; Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies