jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Petr Rozhin | Simone Adorinni | Daniel Iglesias | Tino Mackiol | Slavko Kralj | Matteo Bisetto | Michela Abrami | Mario Grassi | Manuela Bevilacqua | Paolo Fornasiero | Silvia Marchesan
Source: Chemistry - A European Journal (article, 2023-09-23)
Field: Materials Science — Biomaterials

Nanocomposite Hydrogels with Self‐Assembling Peptide‐Functionalized Carbon Nanostructures Carbon nanostructures (CNSs) are attractive components to attain nanocomposites, yet their hydrophobic nature and strong tendency to aggregate often limit their use in aqueous conditions and negatively impact their properties. In this work, carbon nanohorns (CNHs), multi-walled carbon nanotubes (CNTs), and graphene (G) are first oxidized, and then reacted to covalently anchor the self-assembling tripeptide L-Leu-D-Phe-D-Phe to improve their dispersibility in phosphate buffer, and favor the formation of hydrogels formed by the self-organizing L-Leu-D-Phe-D-Phe present in solution. The obtained nanocomposites are then characterized by transmission electron microscopy (TEM), oscillatory rheology, and conductivity measurements to gain useful insights as to the key factors that determine self-healing ability for the future design of this type of nanocomposites. Nanocomposite ; Self-healing hydrogels ; Carbon nanotube ; Materials science ; Tripeptide ; Self-assembly ; Chemical engineering ; Carbon fibers ; Nanotechnology ; Graphene ; Transmission electron microscopy ; Aqueous solution ; Nanostructure ; Polymer chemistry ; Chemistry ; Composite number ; Peptide ; Composite material ; Organic chemistry Supramolecular Self-Assembly in Materials ; Lipid Membrane Structure and Behavior ; Photochromic and Fluorescence Chemistry
Authors: Angeliki Maragkaki | Christos Tsompanidis | Kelly Velonia | Thrassyvoulos Manios
Source: Sustainability (article, 2023-07-12)
Field: Materials Science — Biomaterials

Pilot-Scale Anaerobic Co-Digestion of Food Waste and Polylactic Acid Bioplastics are frequently utilized in daily life, particularly for food packaging and carrier bags. They can be delivered to biogas plants through a separate collection of the organic fraction of municipal waste (OFMSW). The increased demand for and use of bioplastics aimed at mitigating plastic pollution raises significant questions concerning their life cycle and compatibility with waste management units. Anaerobic digestion (AD) in OFMSW is a valuable resource for biogas production. In this work, the valorization of poly-L-lactic acid (PLLA) composed of food waste within the Biowaste to Bioplastic (B2B) Project framework was studied in laboratory and pilot-scale anaerobic liquid conditions. Taking into account that the addition of PLLA to biowaste can increase biogas production, we performed laboratory-scale anaerobic tests on food waste enriched with different molecular-weight PLLAs produced from food waste or commercial PLLA at a mesophilic temperature of 37 °C. PLLA with the highest molecular weight was subjected to AD on the pilot scale to further validate our findings. The addition of PLLA increased biogas production and had no apparent negative impact on the operation of the reactors used in the laboratory or on the pilot scale. Biogas production was higher when using PLLA with the lowest molecular weight. In the pilot-scale experiments, co-digestion of FW with PLLA increased biogas production by 1.1 times. When PLLA was added to the feed, biomethane was 8% higher, while volatile solids (VS) and total chemical oxygen demand (TCOD) removal were almost the same. Importantly, no effect was observed in the operation of the digesters. Bioplastic ; Biogas ; Anaerobic digestion ; Food waste ; Waste management ; Mesophile ; Municipal solid waste ; Polylactic acid ; Biodegradable waste ; Environmental science ; Pulp and paper industry ; Bioenergy ; Biofuel ; Chemistry ; Engineering ; Methane ; Biology biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Recycling and Waste Management Techniques
Authors: Sutang Wu | Yihan Zhu | Xuehua Yan | Wenjing Zhang | Mengyang Zhang | Xinpeng Huang | Jianmei Pan | Zohreh Shahnavaz | Jamile Mohammadi Moradian
Source: Chemistry - A European Journal (article, 2023-10-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dense NiCo<sub>2</sub>O<sub>4</sub> Nanoneedles Grown on Carbon Foam Showing Excellent Electrochemical and Microwave Absorption Properties Electromagnetic pollution could harm sensitive electronic equipment due to the rising use of electronic devices and communication infrastructure. The supercapacitor's electrochemical performance should be enhanced, and electromagnetic damage should be prevented. This study proposes NiCo<sub>2</sub> O<sub>4</sub> /CF composites for supercapacitors and microwave absorption. They are made by combining hydrothermal and annealing processes. Dense NiCo<sub>2</sub> O<sub>4</sub> nanoneedles were uniformly grown on the outer layer of carbon foam (CF) as a growth skeleton, preventing the agglomeration of NiCo<sub>2</sub> O<sub>4</sub> . The composite had a specific capacitance of 537.5 F/g at 1 A/g. When the current density was set to 1 A/g, the supercapacitor that used NiCo<sub>2</sub> O<sub>4</sub> /CF as the cathode had a specific capacitance of 70.7 F/g, and when the current density was increased to 10 A/g, the original specific capacitance of 87.2 % could still be maintained after 5000 charge-discharge cycles. At a power density of 3695.5 W/kg, an energy density of 22.1 Wh/kg could be maintained. Furthermore, we performed a microwave absorption test and determined its reflection loss curve for various sample thicknesses. Recombination enhanced the composite material's microwave absorption capability by greatly reducing the dielectric loss and the magnetic loss. Materials science ; Supercapacitor ; Microwave ; Capacitance ; Current density ; Absorption (acoustics) ; Composite number ; Electrochemistry ; Power density ; Reflection loss ; Composite material ; Optoelectronics ; Nanotechnology ; Electrode ; Chemistry Electromagnetic wave absorption materials ; Supercapacitor Materials and Fabrication ; Conducting polymers and applications
Authors: Tomáš Ječmen | Roman Tuzhilkin | Miroslav Šulc
Source: International Journal of Molecular Sciences (article, 2023-07-22)
Field: Chemistry — Spectroscopy

Photo-Methionine, Azidohomoalanine and Homopropargylglycine Are Incorporated into Newly Synthesized Proteins at Different Rates and Differentially Affect the Growth and Protein Expression Levels of Auxotrophic and Prototrophic E. coli in Minimal Medium Residue-specific incorporation of non-canonical amino acids (ncAAs) introduces bio-orthogonal functionalities into proteins. As such, this technique is applied in protein characterization and quantification. Here, we studied protein expression with three methionine analogs, namely photo-methionine (pMet), azidohomoalanine (Aha) and homopropargylglycine (Hpg), in prototrophic <i>E. coli</i> BL-21 and auxotrophic <i>E. coli</i> B834 to maximize ncAA content, thereby assessing the effect of ncAAs on bacterial growth and the expression of cytochrome b<sub>5</sub> (b<sub>5</sub>M46), green fluorescence protein (MBP-GFP) and phage shock protein A. In auxotrophic <i>E. coli</i>, ncAA incorporation ranged from 50 to 70% for pMet and reached approximately 50% for Aha, after 26 h expression, with medium and low expression levels of MBP-GFP and b<sub>5</sub>M46, respectively. In the prototrophic strain, by contrast, the protein expression levels were higher, albeit with a sharp decrease in the ncAA content after the first hours of expression. Similar expression levels and 70-80% incorporation rates were achieved in both bacterial strains with Hpg. Our findings provide guidance for expressing proteins with a high content of ncAAs, highlight pitfalls in determining the levels of methionine replacement by ncAAs by MALDI-TOF mass spectrometry and indicate a possible systematic bias in metabolic labeling techniques using Aha or Hpg. Auxotrophy ; Methionine ; Escherichia coli ; Protein expression ; Biochemistry ; Green fluorescent protein ; Biology ; Cold-shock domain ; Amino acid ; Protein biosynthesis ; Chemistry ; Gene ; RNA Advanced Proteomics Techniques and Applications ; Bacteriophages and microbial interactions ; Mass Spectrometry Techniques and Applications
Authors: Rishi Bodlos | Daniel Scheiber | Jürgen Spitaler | Lorenz Romaner
Source: Metals (article, 2023-02-09)
Field: Materials Science — Materials Chemistry

Modification of the Cu/W Interface Cohesion by Segregation Cu/W composites are widely used in various industrial fields as they show thermomechanical properties suitable for a wide range of applications. Additionally, in semiconductor products, WTi in contact with Cu acts as a barrier material between Cu and Si/SiO2. Therefore, the bonding behavior of both Cu/W and Cu/WTi is of great economical interest, also with respect to the effects that impurities could have on the behaviour of the Cu/W(Ti) interface. The segregation behavior of relevant impurities has not been studied in detail before. In this work, we create atomistic models of the Cu/W and Cu/WTi interfaces, compare their energetics to previously known interfaces and study the effect of segregation on the interface cohesion. We find that all investigated segregants, i.e. Ti, Cl, S, Al, H, O, and vacancies weaken the cohesion of the interface. Cohesion (chemistry) ; Impurity ; Materials science ; Copper ; Interface (matter) ; Work (physics) ; Crystallography ; Metallurgy ; Composite material ; Thermodynamics ; Chemistry ; Contact angle ; Physics ; Sessile drop technique Microstructure and mechanical properties ; Aluminum Alloys Composites Properties ; Electronic Packaging and Soldering Technologies
Authors: Aiji Liang | Zhilin Li | Shihao Zhang | Shucui Sun | Shuai Liu | Cheng Chen | Haifeng Yang | Shengtao Cui | Sung‐Kwan Mo | Shuai Yang | Yongqing Li | Meixiao Wang | Lexian Yang | Jianpeng Liu | Zhongkai Liu | Yulin Chen
Source: Physical review. B./Physical review. B (article, 2023-05-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electronic origin of half-metal to semiconductor transition and colossal magnetoresistance in spinel <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Hg</mml:mi><mml:msub><mml:mi>Cr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Se</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math> Half metals are ferromagnets hosting spin-polarized conducting carriers and are crucial for spintronics applications. The chromium spinel $\mathrm{Hg}{\mathrm{Cr}}_{2}{\mathrm{Se}}_{4}$ represents a unique type of half-metal, which features a half-metal to semiconductor transition (HMST) and exhibits colossal magnetoresistance (CMR) across the ferromagnetic-paramagnetic (FM-PM) transition. Using angle-resolved photoemission spectroscopy, we find that the Fermi surface of $n$-type $\mathrm{Hg}{\mathrm{Cr}}_{2}{\mathrm{Se}}_{4}$ ($n\text{\ensuremath{-}}\mathrm{Hg}{\mathrm{Cr}}_{2}{\mathrm{Se}}_{4}$) consists of a single electron pocket which moves above the Fermi level $({E}_{\mathrm{F}})$ upon the FM-PM transition, leading to the HMST. Such a Lifshitz transition manifests a giant band splitting which originates from the exchange interaction unveiled with a specific chemical nonstoichiometry. The exchange band splitting and the chemical nonstoichiometry are two key ingredients to the HMST and CMR, consistent with our ab initio calculation. Our findings provide spectroscopic evidence of the electronic origin of the anomalous properties of $\mathrm{Hg}{\mathrm{Cr}}_{2}{\mathrm{Se}}_{4}$, which address the unique phase transition in half-metals. Colossal magnetoresistance ; Condensed matter physics ; Paramagnetism ; Ferromagnetism ; Magnetoresistance ; Physics ; Materials science ; Transition metal ; Fermi level ; Crystallography ; Electron ; Chemistry ; Quantum mechanics ; Magnetic field Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; Multiferroics and related materials
Authors: Ahmad Daher | Asmae Bousfiha | Iogann Tolbatov | Clève Dionel Mboyi | Hélène Cattey | Thierry Roisnel | Paul Fleurat‐Lessard | Muriel Hissler | Jean‐Cyrille Hierso | Pierre‐Antoine Bouit | Julien Roger
Source: Angewandte Chemie International Edition (article, 2023-01-30)
Field: Chemistry — Organic Chemistry

Tetrazo[1,2‐<i>b</i>]indazoles: Straightforward Access to Nitrogen‐Rich Polyaromatics from<i>s</i>‐Tetrazines The straightforward access to a new class of aza-polyaromatics is reported. Starting from readily available fluorinated s-tetrazine, a cyclization process with azide leads to the formation of an unprecedented tetrazo[1,2-b]indazole or a bis-tetrazo[1,2-b]indazole (cis and trans conformers). Based on the new nitrogen core, further N-directed palladium-catalyzed ortho-C-H bond functionalization allows the introduction of halides or acetates. The physicochemical properties of these compounds were studied by a joint experimental/theoretical approach. The tetrazo[1,2-b]indazoles display solid-state π-stacking, low reduction potential, absorption in the visible range up to the near-infrared, and intense fluorescence, depending on the molecular structure. Chemistry ; Indazole ; Palladium ; Tetrazine ; Stacking ; Halide ; Fluorescence ; Photochemistry ; Azide ; Combinatorial chemistry ; Medicinal chemistry ; Catalysis ; Organic chemistry Synthesis of Tetrazole Derivatives ; Click Chemistry and Applications ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Matteo Tommasini | Andrea Lucotti | Luca Stefani | Sebastiano Trusso | P.M. Ossi
Source: Molecules (article, 2023-05-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

SERS Detection of the Anti-Epileptic Drug Perampanel in Human Saliva Surface-Enhanced Raman Scattering (SERS) can obtain the spectroscopic response of specific analytes. In controlled conditions, it is a powerful quantitative technique. However, often the sample and its SERS spectrum are complex. Pharmaceutical compounds in human biofluids with strong interfering signals from proteins and other biomolecules are a typical example. Among the techniques for drug dosage, SERS was reported to detect low drug concentrations, with analytical capability comparable to that of the assessed High-Performance Liquid Chromatography. Here, for the first time, we report the use of SERS for Therapeutic Drug Monitoring of the Anti-Epileptic Drug Perampanel (PER) in human saliva. We used inert substrates decorated with gold NPs deposited via Pulsed Laser Deposition as SERS sensors. We show that it is possible to detect PER in saliva via SERS after an optimized treatment of the saliva sample. Using a phase separation process, it is possible to extract all the diluted PER in saliva from the saliva phase to a chloroform phase. This allows us to detect PER in the saliva at initial concentrations of the order of 10<sup>-7</sup> M, thus approaching those of clinical interest. Saliva ; Drug detection ; Chromatography ; Drug ; Chemistry ; Biomolecule ; Analyte ; Materials science ; Nanotechnology ; Pharmacology ; Medicine ; Biochemistry Gold and Silver Nanoparticles Synthesis and Applications ; Advancements in Transdermal Drug Delivery ; Advanced Drug Delivery Systems
Authors: Kalpana Manne | Sofia Magkiriadou | Pavel Yazhgur | Ahmet F. Demirörs | Frank Scheffold
Source: Frontiers in Soft Matter (article, 2023-09-13)
Field: Materials Science — Materials Chemistry

Structurally colored silica foams using colloidal templating We produce solid silica dry foam structures that exhibit structural color. For this purpose, we use densely packed colloidal microgels decorated with silica nanoparticles that are much smaller than the microgels. By concentrating and overpacking the microgel particles, we can control their morphology so that the silica nanoparticles spontaneously form honeycomb-like structures or networks. We obtain pure silica dry foam structures by burning the organic polymer, leaving behind silica networks. The resulting foams exhibit vivid structural colors. We can control the color by changing the microgel particles’ size and degree of compression. Furthermore, thanks to the softness of the particles, compression can also lead to the appearance of facets. This faceting behavior distinguishes microgels from hard spherical particles. We present details about the synthesis and fabrication strategies and report on a comprehensive characterization of optical and structural properties. Our study provides insight into the fabrication of innovative self-assembled materials with structural colors by colloidal templating. Structural coloration ; Materials science ; Fabrication ; Polymer ; Colloid ; Nanotechnology ; Nanoparticle ; Chemical engineering ; Self-assembly ; Colloidal silica ; Composite material ; Photonic crystal Pickering emulsions and particle stabilization ; Photonic Crystals and Applications ; Aerogels and thermal insulation
Authors: Hugo B. Muller | Georges Scholl | Johann Far | Edwin De Pauw | Gauthier Eppe
Source: Analytical Chemistry (article, 2023-11-17)
Field: Chemistry — Spectroscopy

Sliding Windows in Ion Mobility (SWIM): A New Approach to Increase the Resolving Power in Trapped Ion Mobility-Mass Spectrometry Hyphenated with Chromatography Over the past decade, the separation efficiency achieved by linear IMS instruments has increased substantially, with state-of-the-art IM technologies, such as the trapped ion mobility (TIMS), the cyclic traveling wave ion mobility (cTWIMS), and the structure for lossless ion manipulation (SLIM) platforms commonly demonstrating resolving powers in excess of 200. However, for complex sample analysis that require front end separation, the achievement of such high resolving power in TIMS is significantly hampered, since the ion mobility range must be broad enough to analyze all the classes of compounds of interest, whereas the IM analysis time must be short enough to cope with the time scale of the preseparation technique employed. In this paper, we introduce the concept of sliding windows in ion mobility (SWIM) for chromatography hyphenated TIMS applications that bypasses the need to use a wide and fixed IM range by using instead narrow and mobile ion mobility windows that adapt to the analytes' ion mobility during chromatographic separation. GC-TIMS-MS analysis of a mixture of 174 standards from several halogenated persistent organic pollutant (POP) classes, including chlorinated and brominated dioxins, biphenyls, and PBDEs, demonstrated that the average IM resolving power could be increased up to 40% when the SWIM mode was used, thereby greatly increasing the method selectivity for the analysis of complex samples. Ion-mobility spectrometry ; Chemistry ; Ion ; Mass spectrometry ; Analyte ; Analytical Chemistry (journal) ; Range (aeronautics) ; Ion chromatography ; Chromatography ; Aerospace engineering ; Organic chemistry Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies
Authors: Basant Roondhe | Vaishali Roondhe | Alok Shukla | Shobha Shukla | Wei Luo | Rajeev Ahuja | Sumit Saxena
Source: Advanced Electronic Materials (article, 2023-06-28)
Field: Materials Science — Materials Chemistry

Janus Functionalized Boron‐Nitride Nanosystems as a Potential Application for Absorber Layer in Solar Cells Abstract Janus nanosystems enable one to achieve complementary properties in a single entity. In the current study, the fundamental properties like structural, electronic, and dynamical of Janus hexagonal boron nitride (h‐BN) by selectively hydrogenating and fluorinating a h‐BN surface are systematically examined, using density functional theory. Functionalization of h‐BN introduces partial sp 3 (buckled) character in the predicted materials as compared to planar sp 2 h‐BNs. Fully fluorinated and hydrogenated h‐BN have a direct bandgap of 3.42 and 3.37 eV, respectively. All the investigated configurations are predicted to be dynamically stable. Furthermore, optical properties including dielectric function, absorption spectra, refractive index, and reflectivity are evaluated to realize the optical and photocatalytic behavior of considered systems. The dielectric function ɛ 2 ( ω ) shows fundamental absorption edge arising at 3.2, 3.9, 2.8, and 3.4 eV for hydrogen on boron and nitrogen, hydrogen on boron and fluorine on nitrogen, fluorine on boron and hydrogen on nitrogen (FBNH) and fluorine on boron and nitrogen which is comparable to the bandgap of respective monolayers. Solar cell parameters of all considered BN structures are calculated using the Shockley–Queisser (SQ) limit. The highest short‐circuit current density ( J sc ) for FBNH is found to be 2.1 mA cm −2 providing the efficiency of 8.27% making FBNH a potential candidate for absorber layer in solar cells. Materials science ; Boron ; Band gap ; Janus ; Monolayer ; Boron nitride ; Dielectric ; Absorption (acoustics) ; Density functional theory ; Surface modification ; Solar cell ; Optoelectronics ; Absorption edge ; Chemical engineering ; Nanotechnology ; Computational chemistry ; Organic chemistry ; Composite material ; Chemistry Boron and Carbon Nanomaterials Research ; Graphene research and applications ; ZnO doping and properties
Authors: Enrico Paradisi | Pedro J. Plaza-González | Giovanni Baldi | José M. Catalá‐Civera | Cristina Leonelli
Source: Materials Letters (article, 2023-01-30)
Field: Chemistry — Organic Chemistry

On the use of microwaves during combustion/calcination of N-doped TiO2 precursor: An EMW absorption study combined with TGA-DSC-FTIR results For the first time, dielectric properties and electromagnetic wave (EMW) absorbing performance of a precursor for N-doped TiO2 nanoparticles undergoing combustion synthesis are reported. The precursor contains titania, NH4Cl as source of N atoms for TiO2 nanoparticles doping, and organics. Thermogravimetric analysis (TGA) reveals that the 180-450°C temperature range accounts for the overall weight loss of the process. High-temperature gas evolution analysis confirms combustion of the organic component. Aiming to optimize output power and time schedule of the material’s microwave (MW) calcination, in situ high temperature dielectric properties measurements were recorded during MW irradiation in a dedicated cavity. Results revealed that after a first stage of non-combustive decomposition, in a second stage the EMW absorption decreases, so MW power is no longer necessary and hybrid heating is suggested to reach the desired calcination temperature (375-400°C). Thermogravimetric analysis ; Materials science ; Calcination ; Combustion ; Absorption (acoustics) ; Microwave ; Doping ; Fourier transform infrared spectroscopy ; Dielectric ; Chemical engineering ; Thermal decomposition ; Nanoparticle ; Analytical Chemistry (journal) ; Composite material ; Nanotechnology ; Organic chemistry ; Catalysis ; Optoelectronics ; Chemistry Microwave-Assisted Synthesis and Applications ; Catalytic Processes in Materials Science ; Flame retardant materials and properties