jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Liyan Ming | Irene Zabala Gutiérrez | Óscar G. Calderón | Sonia Melle | Erving Ximendes | Jorge Rubio‐Retama | Riccardo Marin
Source: Optical Materials (article, 2023-06-03)
Field: Materials Science — Materials Chemistry

A brighter era for silver chalcogenide semiconductor nanocrystals Silver chalcogenide semiconductor nanocrystals (Ag2E SNCs) have become a household name in the biomedical field, where they are used as contrast agents in bioimaging, photothermal therapy agents, and luminescent nanothermometers. The prominent position they have come to occupy in this field stems from a unique combination of features, above all near-infrared excitation and emission alongside low cytotoxicity. However, the first reports on Ag2E SNCs showed that a great limitation of these luminescent nanomaterials resided in their low photoluminescence quantum yield, which results in reduced brightness: a crippling feature in bioimaging and biosensing. In this article, we provide an overview of the strategies developed to overcome this hurdle. These strategies aim to remedy the presence of defects in the SNC core and/or surface, the presence of metallic silver, and off-stoichiometric composition. These features stem from the high mobility and redox potential of Ag+ ions, alongside the difficulty in controlling the nucleation and growth rate of Ag2E SNCs. The effectiveness of each approach is discussed. Lastly, a perspective on future research efforts to make Ag2E SNCs even brighter – and thus more effective in biomedical applications – is provided, with the hope of inspiring further investigation on these nanomaterials with a rich, complex set of physicochemical and spectroscopic properties. Chalcogenide ; Nanomaterials ; Nanotechnology ; Nanocrystal ; Photoluminescence ; Materials science ; Photothermal therapy ; Quantum dot ; Luminescence ; Optoelectronics Quantum Dots Synthesis And Properties ; Nanocluster Synthesis and Applications ; Chalcogenide Semiconductor Thin Films
Authors: Valerie Hsieh | Dorri Halbertal | Nathan Finney | Ziyan Zhu | Eli Gerber | Michele Pizzochero | Emine Küçükbenli | Gabriel R. Schleder | Mattia Angeli | Kenji Watanabe | Takashi Taniguchi | Eun-Ah Kim | Efthimios Kaxiras | James Hone | Cory R. Dean | D. N. Basov
Source: Nano Letters (article, 2023-04-10)
Field: Materials Science — Materials Chemistry

Domain-Dependent Surface Adhesion in Twisted Few-Layer Graphene: Platform for Moiré-Assisted Chemistry Twisted van der Waals multilayers are widely regarded as a rich platform to access novel electronic phases thanks to the multiple degrees of freedom available for controlling their electronic and chemical properties. Here, we propose that the stacking domains that form naturally due to the relative twist between successive layers act as an additional "knob" for controlling the behavior of these systems and report the emergence and engineering of stacking domain-dependent surface chemistry in twisted few-layer graphene. Using mid-infrared near-field optical microscopy and atomic force microscopy, we observe a selective adhesion of metallic nanoparticles and liquid water at the domains with rhombohedral stacking configurations of minimally twisted double bi- and trilayer graphene. Furthermore, we demonstrate that the manipulation of nanoparticles located at certain stacking domains can locally reconfigure the moiré superlattice in their vicinity at the micrometer scale. Our findings establish a new approach to controlling moiré-assisted chemistry and nanoengineering. Graphene ; Moiré pattern ; Adhesion ; Nanotechnology ; Layer (electronics) ; Chemistry ; Domain (mathematical analysis) ; Surface (topology) ; Materials science ; Physics ; Optics ; Geometry ; Mathematics ; Organic chemistry Graphene research and applications ; 2D Materials and Applications ; Molecular Junctions and Nanostructures
Authors: Priyanka Kolhar | Basavaraja Sannakki | Meenakshi Verma | Prabhakar S.V. | Mansoor H. Alshehri | Nehad Ali Shah
Source: Nanomaterials (article, 2023-07-31)
Field: Materials Science — Polymers and Plastics

Synthesis, Characterization and Investigation of Optical and Electrical Properties of Polyaniline/Nickel Ferrite Composites Nickel ferrite nanoparticles are prepared by using a low-temperature self-propagating solution combustion method using urea as fuel. The prepared nickel ferrite nanoparticles were doped with polyaniline in the three different weight ratios of 10%, 30% and 50% by using an in situ polymerization method and by adding ammonium persulfate as an oxidizing agent. The obtained samples were characterized by using XRD, FTIR, SEM and a UV–visible spectrophotometer. XRD examined crystalline peaks of ferrites and amorphous peak of polyaniline and confirmed the formation of the composites. FTIR examined the chemical nature of samples and showed peaks due to polyaniline and the characteristic peaks that were less than 1000 cm−1 wavenumber were due to metal–oxygen bond vibrations of ferrites. AC conductivity increased with frequency in all samples and the highest AC conductivity was seen in polyaniline/nickel ferrite 50%. DC conductivity increased in all samples with the temperature showing the semiconducting nature of the samples. Activation energy was evaluated by using Arrhenius plots and there was a decrease in activation energy with the addition of ferrite content. The UV–visible absorption peaks of polyaniline showed shifting in the composites. The optical direct and indirect band gaps were evaluated by plotting Tauc plots and the values of the optical band gap decreased with addition of ferrite in polyaniline and the Urbach energy increased in the samples with 10%, 30% and 50% polyaniline/nickel ferrite composites. The optical properties of these composites with a low band gap can find applications in devices such as solar cells. Polyaniline ; Materials science ; Ferrite (magnet) ; Band gap ; Composite material ; Ammonium persulfate ; Fourier transform infrared spectroscopy ; Nickel ; Activation energy ; Polyaniline nanofibers ; Analytical Chemistry (journal) ; Chemical engineering ; Polymerization ; Polymer ; Metallurgy ; Chemistry ; Organic chemistry Conducting polymers and applications ; Electrochemical sensors and biosensors ; Electromagnetic wave absorption materials
Authors: Maria Mathieu‐Gaedke | Alexander Böker | Ulrich Glebe
Source: Macromolecular Chemistry and Physics (article, 2023-01-09)
Field: Materials Science — Materials Chemistry

How to Characterize the Protein Structure and Polymer Conformation in Protein‐Polymer Conjugates – a Perspective Abstract Proteins, having miscellaneous properties perfected by nature over millions of years, are attractive for many biomedical and industrial applications. The exploitation of proteins offers great opportunities to increase, among others, the selectivity, biocompatibility, and sustainability of artificial materials. However, the stability of proteins is limited and exposure to conditions like heat or organic solvents often leads to denaturation or aggregation. The modification with synthetic polymers is a powerful possibility to increase the stability of proteins. Throughout the last few years, various methods have been established to characterize obtained conjugates regarding the conjugation efficiency, protein stability, their self‐assembly behavior, and beyond. Nevertheless, it is still very challenging to determine if the protein structure is unaltered in the biohybrid materials and how the polymer chains arrange around the protein surface. Here, an overview of different analysis techniques is presented, their applicability and feasibility are discussed, and current literature examples are provided. The focus of this Perspective lies on nuclear magnetic resonance spectroscopy, size exclusion chromatography coupled with multi‐angle laser light scattering, analytical ultracentrifugation, and small‐angle scattering techniques as these methods shed light into the structure of proteins in conjugates and the polymer conformation around proteins. Polymer ; Chemistry ; Size-exclusion chromatography ; Denaturation (fissile materials) ; Protein structure ; Nanotechnology ; Biophysics ; Materials science ; Organic chemistry ; Biochemistry Enzyme Structure and Function ; Protein Structure and Dynamics ; Protein purification and stability
Authors: Ravindra B. Malabadi | Kiran P. Kolkar | Raju K. Chalannavar
Source: World Journal of Biology Pharmacy and Health Sciences (article, 2023-11-05)
Field: Materials Science — Polymers and Plastics

Industrial Cannabis sativa: Role of hemp (fiber type) in textile industries This review paper highlights the importance and role of hemp fibre in textile industries. In recent years, there has been a resurgence of interest in hemp as a sustainable and versatile textile fibre in fashion and textile industry. Hemp is a sustainable and environmental friendly crop that can provide valuable raw materials to a large number of industrial applications. Hemp fibre is very strong compared with other natural fibres such as cotton, flax and nettle. The cultivation of hemp has significantly less environmental impact compared to cotton. The industrial hemp contains primary and secondary fibres of which the primary fibres are utilisable for the textile end use. Hemp has been the mostly blended with cotton and synthetic fibres due to barriers in the industrial process of the production of full hemp-based textiles. Hemp clothing is stronger and more durable than cotton clothing and does not deform as easily. Apparel made from hemp merges easily with dyes and does not discolour easily. Hemp has outstanding antibacterial properties that surpass those of cotton and also any other natural fibre. Hemp textile fibre is hypoallergenic and has natural antimicrobial properties, making it an excellent choice for individuals with sensitive skin. However, despite its many benefits, hemp is still relatively expensive in India compared to other cellulosic fibres such as cotton, linen, and rayon etc. Hemp has a great cultural and historical value in India because it has been grown and used here for thousands of years. This cultural history can be conserved and honoured by using hemp in the fashion and textile business. Textile ; Bast fibre ; Pulp and paper industry ; Textile industry ; Raw material ; Cannabis sativa ; Clothing ; Bamboo ; Materials science ; Composite material ; Engineering ; Horticulture ; Biology ; Geography ; Ecology Natural Fiber Reinforced Composites
Authors: Hossein Babashah | Hoda Shirzad | Elena Losero | V. Goblot | Christophe Galland | Mayeul Chipaux
Source: SciPost Physics Core (article, 2023-10-09)
Field: Materials Science — Materials Chemistry

Optically detected magnetic resonance with an open source platform Localized electronic spins in solid-state environments form versatile and robust platforms for quantum sensing, metrology and quantum information processing. With optically detected magnetic resonance (ODMR), it is possible to prepare and readout highly coherent spin systems, up to room temperature, with orders of magnitude enhanced sensitivities and spatial resolutions compared to induction-based techniques, allowing for single spin manipulations. While ODMR was first observed in organic molecules, many other systems have since then been identified. Among them is the nitrogen-vacancy (NV) center in diamond, which is used both as a nanoscale quantum sensor for external fields and as a spin qubit. Other systems permitting ODMR are rare earth ions used as quantum memories and many other color centers trapped in bulk or 2-dimensional host materials. In order to allow the broadest possible community of researchers and engineers to investigate and develop novel ODMR-based materials and applications, we review here the setting up of ODMR experiments using commercially available hardware. We also present in detail the dedicated collaborative open-source interface named Qudi and describe the features we added to speed-up data acquisition, relax instrument requirements and extend its applicability to ensemble measurements. Covering both hardware and software development, this article aims to overview the setting of ODMR experiments and provide an efficient, portable and collaborative interface to implement innovative experiments to optimize the development time of ODMR experiments for scientists of any backgrounds. Spins ; Quantum sensor ; Spin (aerodynamics) ; Qubit ; Computer science ; Interface (matter) ; Software ; Quantum ; Quantum technology ; Nanotechnology ; Quantum information ; Quantum dot ; Physics ; Quantum network ; Materials science ; Molecule ; Open quantum system ; Condensed matter physics Diamond and Carbon-based Materials Research ; Atomic and Subatomic Physics Research ; Quantum optics and atomic interactions
Authors: Qing Zhou | Li Zhang | Yujiao Li | Jiao Wang | Xiaolu He | Jieyu Zhang | Youbei Qiao | Hong Wu | Lin Zhu
Source: Cancer Nanotechnology (article, 2023-05-19)
Field: Materials Science — Biomaterials

Targeting and sensitizing MDR cancer by an MMP2 and pH dual-responsive ZnO-based nanomedicine Abstract Zinc oxide nanoparticles (ZnO NPs) have been known as a therapeutic agent and drug delivery system for treating various diseases, including infectious diseases and cancer. However, due to the low biocompatibility, short in vivo half-life, and potential toxicity, the previous studies on ZnO NPs were mainly focused on their in vitro applications. The effective and safe ZnO NP-based systems which can be used for in vivo drug delivery have been rarely reported. In this study, we developed a novel dual-responsive hybrid ZnO NP (ZnO/DPPG/PEG-pp-PE) consisting of the ZnO NPs, phospholipid (DPPG), and enzyme-sensitive amphiphilic polymer (PEG-pp-PE), which could respond to both tumoral matrix metalloproteinase 2 (MMP2) and intracellular acidic pH, for tumor-targeted drug delivery and multidrug resistant (MDR) cancer treatment. The dual-responsive ZnO/DPPG/PEG-pp-PE could easily load the model drug, doxorubicin (DOX), and showed excellent physicochemical properties, stability, and MMP2 and pH dual sensitivity. The ZnO/DPPG/PEG-pp-PE/DOX showed the MMP2-dependent cellular uptake, enhanced cell penetration, and improved anticancer activity in the MDR cancer cells and their spheroids. In the MDR tumor-bearing mice, the ZnO/DPPG/PEG-pp-PE/DOX improved the biocompatibility, tumor targetability, and anticancer activity of DOX and ZnO without significant toxicity compared to the free DOX, ZnO/DOX, and nonsensitive ZnO NPs. The data suggested that the dual-sensitive ZnO-based nanomedicine could be a promising delivery system for targeted drug delivery and therapy against the MDR cancer. Nanomedicine ; Biocompatibility ; Doxorubicin ; Drug delivery ; In vivo ; Pharmacology ; Cancer cell ; Drug ; Chemistry ; Materials science ; Nanotechnology ; Cancer ; Cancer research ; Medicine ; Nanoparticle ; Chemotherapy ; Biology ; Internal medicine Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Nanoplatforms for cancer theranostics
Authors: Ali Alnasif | Syed Mashruk | Masao Hayashi | Joanna Jójka | Hao Shi | Akihiro Hayakawa | Agustín Valera-Medina
Source: Energies (article, 2023-04-29)
Field: Materials Science — Materials Chemistry

Performance Investigation of Currently Available Reaction Mechanisms in the Estimation of NO Measurements: A Comparative Study Ammonia (NH3) has been receiving the attention of researchers as an alternative promising green fuel to replace fossil sources for energy production. However, the high NOx emissions are one of the drawbacks and restrictions of using NH3 on a broad scale. The current study investigates NO production/consumption for a 70/30 (vol%) NH3/H2 mixture using kinetic reaction mechanism concepts to shed light on the essential reaction routes that promote/inhibit NO formation. Sixty-seven kinetic reaction mechanisms from the literature have been investigated and compared with recently reported measurements at a wide range of equivalence ratios (ϕ) (0.6–1.4), atmospheric pressure and temperature conditions. Both numerical simulations and experimental measurements used the same combustion reactor configuration (premixed stabilized stagnation flame). To highlight the best kinetic model for the predicting of the NO experimental measurements of NO, a symmetric mean absolute percentage error (SMAPE) has been determined as a preliminary estimation by comparing both numerical and experimental measurements. The results found that the kinetic reaction mechanism of Glarborg showed an accurate prediction with a minor error percentage of 2% at all lean and stoichiometric conditions. Meanwhile, the kinetic model of Wang accurately predicted the experimental data with 0% error at ϕ = 1.2 and underestimated the mole fraction of NO at 1.4 ϕ with an error of 10%. The sensitivity analysis and rate of production/consumption of NO mole fractions analysis have also been implemented to highlight the most important reactions that promote/inhibit NO formation. At lean and stoichiometric conditions, Glarborg kinetic model shows that the kinetic reactions of HNO + H ⇌ NO + H2, HNO + O ⇌ NO + OH, and NH + O ⇌ NO + H are the most important reaction routes with considerable effect on NO formation for 70/30 (vol%) NH3/H2 mixture. In contrast, the reactions of NH2 + NO ⇌ N2 + H2O, NH2 + NO ⇌ NNH + OH, NH + NO ⇌ N2O + H, and N + NO ⇌ N2 + O significantly consume NO to N2, NNH, and N2O. Further, Wang’s mechanism illustrated the dominant effect of each HNO + H ⇌ NO + H2, N + OH ⇌ NO + H, NH + O ⇌ NO + H in NO formation and NH + NO ⇌ N2O + H, NH2 + NO ⇌ NNH + OH, and NH2 + NO ⇌ N2 + H2O in the consumption of NO mole fractions. Kinetic energy ; Combustion ; Stoichiometry ; Mole fraction ; Chemistry ; Thermodynamics ; NOx ; Reaction rate ; Mass fraction ; Reaction mechanism ; Range (aeronautics) ; Approximation error ; Analytical Chemistry (journal) ; Materials science ; Physical chemistry ; Environmental chemistry ; Organic chemistry ; Mathematics ; Statistics ; Catalysis ; Physics Catalytic Processes in Materials Science ; Advanced Combustion Engine Technologies ; Atmospheric chemistry and aerosols
Authors: Vignesh Vivekanandan | Benjamin Anglin | Anter El‐Azab
Source: International Journal of Plasticity (article, 2023-03-17)
Field: Materials Science — Materials Chemistry

A data driven approach for cross-slip modelling in continuum dislocation dynamics Slip (aerodynamics) ; Dislocation ; Materials science ; Stress field ; Mechanics ; Burgers vector ; Statistical physics ; Peierls stress ; Geometry ; Dislocation creep ; Physics ; Mathematics ; Finite element method ; Thermodynamics ; Composite material Microstructure and mechanical properties ; Fusion materials and technologies ; Nuclear Materials and Properties
Authors: Monidipa Pramanik | Mukta V. Limaye | Mahendra S. Pawar | Dattatray J. Late | Shashi B. Singh
Source: The Journal of Physical Chemistry C (article, 2023-02-27)
Field: Materials Science — Materials Chemistry

Post-Ammonia-Treated V<sub>2</sub>CT<i><sub>x</sub></i> MXene at Different Pressures: Effects on Morphology, Electronic, and Optical Properties In the present work, vanadium carbide (V2CTx) MXene was synthesized successfully and then treated with an ammonia solution (NH4OH) under different pressures using a hydrothermal process. The sample morphology reveals that the V2CTx MXene gradually changed from uneven multilayered micrometre-size sheets to uniform few-layered nanometer-size sheets as the pressure increased. The optical emission spectra show broad emission and a blue shift due to nitrogen-related defects and quantum confinement. X-ray photoelectron spectroscopy shows the presence of nitrogen in all of the samples. The ultraviolet photoelectron spectroscopy study shows a modified density of states near the Fermi level and a maximum of ∼0.6 eV valence band edge shift towards a higher binding energy side after post-treatment with ammonia. More interestingly, the E1g Raman band becomes degenerate and the E1g band upshifts (∼15 cm–1) with increasing pressure treatment. The Raman results suggest that the induced lattice strain due to post-ammonia treatment plays a crucial role in deciding the optical and electronic properties. X-ray photoelectron spectroscopy ; Raman spectroscopy ; Materials science ; Blueshift ; Band gap ; Analytical Chemistry (journal) ; Fermi level ; Carbide ; Binding energy ; Ammonia ; Ultraviolet photoelectron spectroscopy ; Chemistry ; Photoluminescence ; Optics ; Atomic physics ; Composite material ; Nuclear magnetic resonance ; Optoelectronics ; Physics MXene and MAX Phase Materials ; 2D Materials and Applications ; Graphene research and applications
Authors: Naser Aldulaijan | Joe A. Marsden | Jamie A. Manson | Adam D. Clayton
Source: Reaction Chemistry & Engineering (article, 2023-10-17)
Field: Materials Science — Materials Chemistry

Adaptive mixed variable Bayesian self-optimisation of catalytic reactions A novel adaptive latent Bayesian optimisation (ALaBO) algorithm accelerates the development of mixed variable catalytic reactions. Bayesian probability ; Variable (mathematics) ; Computer science ; Chemistry ; Artificial intelligence ; Mathematics Machine Learning in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation ; Machine Learning and Algorithms
Authors: Markus Mohr | Yue Dong | G. P. Bracker | R. W. Hyers | Douglas M. Matson | Robert Zboray | Ruggero Frison | Alex Dommann | A. Neels | Xiao Xiao | Jürgen Brillo | Ralf Busch | R. Novaković | P. Srirangam | H.‐J. Fecht
Source: npj Microgravity (review, 2023-05-02)
Field: Materials Science — Materials Chemistry

Electromagnetic levitation containerless processing of metallic materials in microgravity: thermophysical properties Transitions from the liquid to the solid state of matter are omnipresent. They form a crucial step in the industrial solidification of metallic alloy melts and are greatly influenced by the thermophysical properties of the melt. Knowledge of the thermophysical properties of liquid metallic alloys is necessary in order to gain a tight control over the solidification pathway, and over the obtained material structure of the solid. Measurements of thermophysical properties on ground are often difficult, or even impossible, since liquids are strongly influenced by earth's gravity. Another problem is the reactivity of melts with container materials, especially at high temperature. Finally, deep undercooling, necessary to understand nucleus formation and equilibrium as well as non-equilibrium solidification, can only be achieved in a containerless environment. Containerless experiments in microgravity allow precise benchmark measurements of thermophysical properties. The electromagnetic levitator ISS-EML on the International Space Station (ISS) offers perfect conditions for such experiments. This way, data for process simulations is obtained, and a deeper understanding of nucleation, crystal growth, microstructural evolution, and other details of the transformation from liquid to solid can be gained. Here, we address the scientific questions in detail, show highlights of recent achievements, and give an outlook on future work. Supercooling ; Levitation ; Nucleation ; Materials science ; Magnetic levitation ; Work (physics) ; Thermodynamics ; Alloy ; Liquid metal ; Benchmark (surveying) ; Mechanical engineering ; Mechanics ; Chemical physics ; Metallurgy ; Physics ; Magnet ; Geology Solidification and crystal growth phenomena ; Metallurgical Processes and Thermodynamics ; nanoparticles nucleation surface interactions