jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Shuguang Zhang
Source: Protein Science (article, 2020-09-17)
Field: Materials Science — Biomaterials

Self‐assembling peptides: From a discovery in a yeast protein to diverse uses and beyond Well-defined nanofiber scaffold hydrogels made of self-assembling peptides have found their way into various 3D tissue culture and clinical products. I reflect initial puzzlement of the unexpected discovery, gradual understanding of how these peptides undergo self-assembly, to eventually translating designer biological scaffolds into commercial products. Peptides are ubiquitous in nature and useful in many fields. They are found as hormones, pheromones, antibacterial, and antifungal agents in innate immunity systems, toxins, as well anti-inset pesticides. However, the concept of peptides as materials was not recognized until 1990 when a self-assembling peptide as a repeating segment in a yeast protein was serendipitously discovered. The peptide materials have bona fide materials properties and are made from simple amino acids with well-ordered nanostructures under physiological conditions. Some current applications include: (a) Real 3D tissue cell cultures of diverse tissue cells and various stem cells; (b) reparative and regenerative medicine as well as tissue engineering; (c) 3D tissue printing; (d) sustained releases of small molecules, growth factors and monoclonal antibodies; and (e) accelerated wound healing of skin and diabetic ulcers as well as instant hemostasis in surgery. Self-assembling peptide nanobiotechnology will likely continue to expand in many directions in the coming years. I will also briefly introduce my current research using a simple QTY code for membrane protein design. I am greatly honored and humbled to be invited to contribute an Award Winner Recollection of the 2020 Emil Thomas Kaiser Award from the Protein Society. Self-assembling peptide ; Regenerative medicine ; Nanobiotechnology ; Scaffold ; Peptide ; Tissue engineering ; Nanotechnology ; Chemistry ; Biology ; Computational biology ; Biochemistry ; Stem cell ; Cell biology ; Computer science ; Materials science Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Antimicrobial Peptides and Activities
Authors: Katherine S. Lefroy | Brent S. Murray | Michael E. Ries
Source: Cellulose (article, 2020-12-11)
Field: Materials Science — Biomaterials

Advances in the use of microgels as emulsion stabilisers and as a strategy for cellulose functionalisation Abstract Microgel particles have recently emerged as an alternative route to emulsion stabilisation. Classed as soft colloidal particles, their ability to swell to differing degrees in certain solvents and to rearrange once attached to an interface makes them highly suitable for systems requiring long-term stabilization, such as formulations in the food, agricultural, cosmetic and pharmaceutical industries. Microgels made with biocompatible polymers such as proteins and polysaccharides in particular offer an environmental advantage and currently form a very active area of research. Cellulose, being a natural, biodegradable polymer, is an attractive ingredient for gels and microgels. However, its use as a functional material is often somewhat hindered by its insolubility in water and most other organic solvents. Furthermore, the surface activity of cellulose has proven difficult to harness and therefore its ability to act as an emulsion stabiliser has been almost exclusively applied to oil-in-water (O/W) emulsions, with very few reports on its water in oil (W/O) activity. This review aims to summarise some of the recent progress made in the microgel field including their ability to act as emulsion stabilisers, with a focus on cellulose microgels (CMGs). A brief overview of cellulose processing is also given, describing the dissolution and reprecipitation routes used to functionalise cellulose without covalent modification and the potential for cellulose particles and CMGs to act as O/W and W/O emulsion stabilisers. Graphic abstract Stabiliser ; Cellulose ; Emulsion ; Dissolution ; Polymer ; Chemical engineering ; Materials science ; Organic chemistry ; Polymer science ; Chemistry ; Nanotechnology Advanced Cellulose Research Studies ; Pickering emulsions and particle stabilization ; Hydrogels: synthesis, properties, applications
Authors: Michal Langer | Markéta Paloncýová | Miroslav Medveď | Michal Otyepka
Source: The Journal of Physical Chemistry Letters (article, 2020-08-17)
Field: Materials Science — Materials Chemistry

Molecular Fluorophores Self-Organize into C-Dot Seeds and Incorporate into C-Dot Structures Various molecular fluorophores have been identified to be present during carbon-dot (C-dot) syntheses. However, the organization of such fluorophores in C-dots is still unknown. We study the self-assembly of 5-oxo-1,2,3,5-tetrahydroimidazo-[1,2-α]-pyridine-7-carboxylic acid (IPCA), a molecular fluorophore present during the synthesis of C-dots from citric acid and ethylenediamine. Both forms of IPCA (neutral and anionic) show a tendency to self-assemble into stacked systems, forming seeds of C-dots during their synthesis. IPCA also interacts with graphitic C-dot building blocks, fragments easily, and incorporates into their structures via π-π stacking. Both IPCA forms are able to create adlayers internally stabilized by an extensive hydrogen bonding network, with an arrangement of layers similar to that in ordinary graphitic C-dots. The results show the tendency of molecular fluorophores to form organized stacked seeds of C-dots and incorporate into C-dot structures. Such noncovalent structures can be further covalently interlinked via the carbonization process during C-dot growth. Stacking ; Quantum dot ; Fluorophore ; Ethylenediamine ; Covalent bond ; Nanotechnology ; Materials science ; Hydrogen bond ; Self-assembly ; Chemistry ; Molecule ; Fluorescence ; Organic chemistry ; Physics Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Claire E. Meyer | Sarah‐Luise Abram | Ioana Craciun | Cornelia G. Palivan
Source: Physical Chemistry Chemical Physics (review, 2020-01-01)
Field: Materials Science — Surfaces, Coatings and Films

Biomolecule–polymer hybrid compartments: combining the best of both worlds Compartmentalization is a fundamental principle in biology that is needed for the temporal and spatial separation of chemically incompatible reactions and biomolecules. Nano- or micro-sized compartments made of synthetic polymers are used to mimick this principle. The self-assembly of these polymers into vesicular objects is highly compatible with the integration of biomolecules, either into the lumen, the membrane or onto the surface of the vesicles. Thus, a great variety of biohybrid nano- and microscaled compartments has been developed exploiting the specific function and properties of targeting peptides, antibodies, enzymes, nucleic acids or lipids. Such biohybrid compartments have moved from simple systems encapsulating e.g. a model protein into complex multicompartmentalized structures that are able to combine the activity of different biomolecular cargos getting closer to the realization of artifical organelles or cells. Encapsulation of medically relevant cargos combined with careful design of the polymeric scaffold and specific surface functionalization have led to a significant progress in therapeutical applications such as targeted drug delivery or enzyme replacement therapy. Biomolecule ; Polymer ; Nanotechnology ; Biosensor ; Chemistry ; Materials science ; Organic chemistry Polymer Surface Interaction Studies ; Supramolecular Chemistry and Complexes ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Farah Rehan | Nafees Ahemad | Rowshan Ara Islam | Manish Gupta | Siew Hua Gan | Ezharul Hoque Chowdhury
Source: Pharmaceutics (article, 2020-10-18)
Field: Materials Science — Biomaterials

Optimization and Formulation of Nanostructured and Self-Assembled Caseinate Micelles for Enhanced Cytotoxic Effects of Paclitaxel on Breast Cancer Cells We conclude that the newly developed NaCNs is a promising carrier of PTX to enhance tumor accumulation of the drug while addressing its toxicity issues as well. Paclitaxel ; Micelle ; Cytotoxicity ; Cancer cell ; Toxicity ; Drug delivery ; Chemistry ; In vivo ; Cancer ; Materials science ; Pharmacology ; Nanotechnology ; In vitro ; Medicine ; Biochemistry ; Biology ; Internal medicine ; Organic chemistry Nanoparticle-Based Drug Delivery ; Proteins in Food Systems ; Advanced Drug Delivery Systems
Authors: Jonas Schaub | Achim Zielesny | Christoph Steinbeck | Maria Sorokina
Source: Journal of Cheminformatics (article, 2020-11-04)
Field: Chemistry — Organic Chemistry

Too sweet: cheminformatics for deglycosylation in natural products Sugar units in natural products are pharmacokinetically important but often redundant and therefore obstructing the study of the structure and function of the aglycon. Therefore, it is recommended to remove the sugars before a theoretical or experimental study of a molecule. Deglycogenases, enzymes that specialized in sugar removal from small molecules, are often used in laboratories to perform this task. However, there is no standardized computational procedure to perform this task in silico. In this work, we present a systematic approach for in silico removal of ring and linear sugars from molecular structures. Particular attention is given to molecules of biological origin and to their structural specificities. This approach is made available in two forms, through a free and open web application and as standalone open-source software. Cheminformatics ; In silico ; Computer science ; Virtual screening ; Task (project management) ; Open source ; Function (biology) ; Biochemical engineering ; Computational biology ; Software ; Chemistry ; Drug discovery ; Biochemistry ; Computational chemistry ; Biology ; Programming language Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Enzyme Production and Characterization
Authors: Gregor Pfeifer | Faouzi Chahdoura | Martin Papke | Manuela Weber | Rózsa Szűcs | Bernard Geffroy | Denis Tondelier | László Nyulászi | Muriel Hissler | Christian Müller
Source: Chemistry - A European Journal (article, 2020-02-24)
Field: Chemistry — Inorganic Chemistry

Synthesis, Electronic Properties and OLED Devices of Chromophores Based on λ<sup>5</sup>‐Phosphinines A new series of 2,4,6-triaryl-λ<sup>5</sup> -phosphinines have been synthesized that contain different substituents both on the carbon backbone and the phosphorus atom of the six-membered heterocycle. Their optical and redox properties were studied in detail, supported by in-depth theoretical calculations. The modularity of the synthetic strategy allowed the establishment of structure-property relationships for this class of compounds and an OLED based on a blue phosphinine emitter could be developed for the first time. OLED ; Chromophore ; Common emitter ; Modularity (biology) ; Carbon fibers ; Materials science ; Carbon chain ; Carbon atom ; Combinatorial chemistry ; Chemistry ; Photochemistry ; Optoelectronics ; Nanotechnology ; Organic chemistry ; Ring (chemistry) Synthesis and characterization of novel inorganic/organometallic compounds ; Organoboron and organosilicon chemistry ; Radical Photochemical Reactions
Authors: Ia. A. Mogunov | Sergiy Lysenko | Anatolii E. Fedianin | Félix E. Fernández | Armando Rúa | A. J. Kent | А. В. Акимов | A. M. Kalashnikova
Source: Nature Communications (article, 2020-04-03)
Field: Materials Science — Polymers and Plastics

Large non-thermal contribution to picosecond strain pulse generation using the photo-induced phase transition in VO2 Picosecond strain pulses are a versatile tool for investigation of mechanical properties of meso- and nano-scale objects with high temporal and spatial resolutions. Generation of such pulses is traditionally realized via ultrafast laser excitation of a light-to-strain transducer involving thermoelastic, deformation potential, or inverse piezoelectric effects. These approaches unavoidably lead to heat dissipation and a temperature rise, which can modify delicate specimens, like biological tissues, and ultimately destroy the transducer itself limiting the amplitude of generated picosecond strain. Here we propose a non-thermal mechanism for generating picosecond strain pulses via ultrafast photo-induced first-order phase transitions (PIPTs). We perform experiments on vanadium dioxide VO<sub>2</sub> films, which exhibit a first-order PIPT accompanied by a lattice change. We demonstrate that during femtosecond optical excitation of VO<sub>2</sub> the PIPT alone contributes to ultrafast expansion of this material as large as 0.45%, which is not accompanied by heat dissipation, and, for excitation density of 8 mJ cm<sup>-2</sup>, exceeds the contribution from thermoelastic effect by a factor of five. Thermoelastic damping ; Ultrashort pulse ; Picosecond ; Materials science ; Femtosecond ; Excitation ; Laser ; Phase transition ; Dissipation ; Optics ; Thermal ; Optoelectronics ; Condensed matter physics ; Physics ; Thermodynamics Transition Metal Oxide Nanomaterials ; Photoacoustic and Ultrasonic Imaging ; Thermography and Photoacoustic Techniques
Authors: Can Aztekin | Tom W. Hiscock | Richard Butler | Francisco De Jesús Andino | Jacques Robert | J. B. Gurdon | Jérôme Jullien
Source: Development (article, 2020-01-27)
Field: Materials Science — Biomaterials

The myeloid lineage is required for the emergence of a regeneration-permissive environment following <i>Xenopus</i> tail amputation Regeneration-competent vertebrates are considered to suppress inflammation faster than non-regenerating ones. Hence, understanding the cellular mechanisms affected by immune cells and inflammation can help develop strategies to promote tissue repair and regeneration. Here, we took advantage of naturally occurring tail regeneration-competent and -incompetent developmental stages of <i>Xenopus</i> tadpoles. We first establish the essential role of the myeloid lineage for tail regeneration in the regeneration-competent tadpoles. We then reveal that upon tail amputation there is a myeloid lineage-dependent change in amputation-induced apoptosis levels, which in turn promotes tissue remodelling, and ultimately leads to the relocalization of the regeneration-organizing cells responsible for progenitor proliferation. These cellular mechanisms failed to be executed in regeneration-incompetent tadpoles. We demonstrate that regeneration incompetency is characterized by inflammatory myeloid cells whereas regeneration competency is associated with reparative myeloid cells. Moreover, treatment of regeneration-incompetent tadpoles with immune-suppressing drugs restores myeloid lineage-controlled cellular mechanisms. Collectively, our work reveals the effects of differential activation of the myeloid lineage on the creation of a regeneration-permissive environment and could be further exploited to devise strategies for regenerative medicine purposes. Biology ; Permissive ; Xenopus ; Regeneration (biology) ; Lineage (genetic) ; Amputation ; Cell biology ; Evolutionary biology ; Genetics ; Gene Silk-based biomaterials and applications ; Tissue Engineering and Regenerative Medicine ; RNA Interference and Gene Delivery
Authors: Maria Cristina Larciprete | Marco Centini | S. Paoloni | Ilaria Fratoddi | Sina Abedini Dereshgi | Kechao Tang | Junqiao Wu | Koray Aydın
Source: Scientific Reports (article, 2020-07-14)
Field: Materials Science — Polymers and Plastics

Adaptive tuning of infrared emission using VO2 thin films Phase-transition materials provide exciting opportunities for controlling optical properties of photonic devices dynamically. Here, we systematically investigate the infrared emission from a thin film of vanadium dioxide (VO<sub>2</sub>). We experimentally demonstrate that such thin films are promising candidates to tune and control the thermal radiation of an underlying hot body with different emissivity features. In particular, we studied two different heat sources with completely different emissivity features, i.e. a black body-like and a mirror-like heated body. The infrared emission characteristics were investigated in the 3.5-5.1 μm spectral range using the infrared thermography technique which included heating the sample, and then cooling back. Experimental results were theoretically analyzed by modelling the VO<sub>2</sub> film as a metamaterial for a temperature range close to its critical temperature. Our systematic study reveals that VO<sub>2</sub> thin films with just one layer 80 nm thick has the potential to develop completely different dynamic tuning of infrared radiation, enabling both black-body emission suppression and as well as mirror emissivity boosting, in the same single layer device. Understanding the dynamics and effects of thermal tuning on infrared emission will benefit wide range of infrared technologies including thermal emitters, sensors, active IR filters and detectors. Emissivity ; Infrared ; Materials science ; Optoelectronics ; Black-body radiation ; Thin film ; Thermal radiation ; Optics ; Metamaterial ; Vanadium dioxide ; Radiation ; Nanotechnology ; Physics Transition Metal Oxide Nanomaterials ; Thermal Radiation and Cooling Technologies ; Photoacoustic and Ultrasonic Imaging
Authors: Yantao Li | H. A. Fertig | Babak Seradjeh
Source: Physical Review Research (article, 2020-11-23)
Field: Materials Science — Materials Chemistry

Floquet-engineered topological flat bands in irradiated twisted bilayer graphene We propose a tunable optical setup to engineer topologically nontrivial flat bands in twisted bilayer graphene under circularly polarized light. Using both analytical and numerical calculations, we demonstrate that nearly flat bands can be engineered at small twist angles near the magic angles of the static system. The flatness and the gaps between these bands can be tuned optically by varying laser frequency and amplitude. We study the effects of interlayer hopping variations on Floquet flat bands and find that changes associated with lattice relaxation favor their formation. Furthermore, we find that, once formed, the flat bands carry nonzero Chern numbers. We show that at currently known values of parameters, such topological flat bands can be realized using circularly polarized UV laser light. Thus, our work opens the way to creating optically tunable, strongly correlated topological phases of electrons in moir superlattices. Floquet theory ; Bilayer graphene ; Physics ; Graphene ; Laser ; Condensed matter physics ; Topology (electrical circuits) ; Optics ; Quantum mechanics Graphene research and applications ; Topological Materials and Phenomena ; 2D Materials and Applications
Authors: Chen Zhang | Yewei Yu | Yifan Wang | Miaolei Zhou
Source: International Journal of Fuzzy Systems (article, 2020-04-16)
Field: Materials Science — Materials Chemistry

Takagi–Sugeno Fuzzy Neural Network Hysteresis Modeling for Magnetic Shape Memory Alloy Actuator Based on Modified Bacteria Foraging Algorithm Actuator ; Hysteresis ; Nonlinear system ; Control theory (sociology) ; Artificial neural network ; Gradient descent ; Computer science ; Fuzzy logic ; Computational intelligence ; Algorithm ; Artificial intelligence ; Physics ; Control (management) Shape Memory Alloy Transformations ; Piezoelectric Actuators and Control ; Laser and Thermal Forming Techniques
Authors: Hitarth Choubisa | Mikhail Askerka | Kevin Ryczko | Oleksandr Voznyy | Kyle Mills | Isaac Tamblyn | Edward H. Sargent
Source: Matter (article, 2020-05-12)
Field: Materials Science — Materials Chemistry

Crystal Site Feature Embedding Enables Exploration of Large Chemical Spaces Crystal (programming language) ; Embedding ; Atom (system on chip) ; Autoencoder ; Materials science ; Crystal structure ; Band gap ; Doping ; Density functional theory ; Representation (politics) ; Feature (linguistics) ; Computer science ; Physics ; Chemistry ; Artificial neural network ; Artificial intelligence ; Computational chemistry ; Crystallography ; Optoelectronics Machine Learning in Materials Science ; Perovskite Materials and Applications ; Electronic and Structural Properties of Oxides
Authors: Sydney R. Provence | Suresh Thapa | Rajendra Paudel | Tristan K. Truttmann | Abhinav Prakash | Bharat Jalan | Ryan B. Comes
Source: Physical Review Materials (article, 2020-08-21)
Field: Materials Science — Materials Chemistry

Machine learning analysis of perovskite oxides grown by molecular beam epitaxy Reflection high-energy electron diffraction (RHEED) is a ubiquitous in situ molecular beam epitaxial (MBE) characterization tool. Although RHEED can be a powerful means for crystal surface structure determination, it is often used as a static qualitative surface characterization method at discrete intervals during a growth. A full analysis of RHEED data collected during the entirety of MBE growths is made possible using principle component analysis (PCA) and $k$-means clustering to examine significant boundaries that occur in the temporal clusters grouped from RHEED data and identify statistically significant patterns. This process is applied to data from homoepitaxial $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ growths, heteroepitaxial $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ grown on scandate substrates, $\mathrm{Ba}\mathrm{Sn}{\mathrm{O}}_{3}$ films grown on $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ substrates, and ${\mathrm{LaNiO}}_{3}$ films grown on $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ substrates. This analysis may provide additional insights into the surface evolution and transitions in growth modes at precise times and depths during growth, and that video archival of an entire RHEED image sequence may be able to provide more insight and control overgrowth processes and film quality. Reflection high-energy electron diffraction ; Molecular beam epitaxy ; Characterization (materials science) ; Electron diffraction ; Reflection (computer programming) ; Epitaxy ; Perovskite (structure) ; Crystal (programming language) Electronic and Structural Properties of Oxides ; Machine Learning in Materials Science ; Advanced Electron Microscopy Techniques and Applications
Authors: Arturo Ponce | Jeffery A. Aguilar | Jess Tate | Miguel José Yacamán
Source: Nanoscale Advances (review, 2020-11-16)
Field: Materials Science — Materials Chemistry

Advances in the electron diffraction characterization of atomic clusters and nanoparticles Nanoparticles and metallic clusters continue to make a remarkable impact on novel and emerging technologies. In recent years, there have been impressive advances in the controlled synthesis of clusters and their advanced characterization. One of the most common ways to determine the structures of nanoparticles and clusters is by means of X-ray diffraction methods. However, this requires the clusters to crystallize in a similar way to those used in protein studies, which is not possible in many cases. Novel methods based on electron diffraction have been used to efficiently study individual nanoparticles and clusters and these can overcome the obstacles commonly encountered during X-ray diffraction methods without the need for large crystals. These novel methodologies have improved with advances in electron microscopy instrumentation and electron detection. Here, we review advanced methodologies for characterizing metallic nanoparticles and clusters using a variety of electron diffraction procedures. These include selected area electron diffraction, nanobeam diffraction, coherent electron diffraction, precession electron diffraction, scanning transmission electron microcopy diffraction, and high throughput data analytics, which leverage deep learning to reduce the propensity for data errors and translate nanometer and atomic scale measurements into material data. Characterization (materials science) ; Nanoparticle ; Nanotechnology ; Materials science ; Electron diffraction ; Diffraction ; Metal ; Physics ; Optics ; Metallurgy Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Quantum Dots Synthesis And Properties