jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Robert Bücker | Carolin Seuring | Cornelia Cazey | Katharina Veith | María García-Alai | Kay Grünewald | Meytal Landau
Source: Nature Communications (article, 2022-07-27)
Field: Materials Science — Biomaterials

The Cryo-EM structures of two amphibian antimicrobial cross-β amyloid fibrils The amyloid-antimicrobial link hypothesis is based on antimicrobial properties found in human amyloids involved in neurodegenerative and systemic diseases, along with amyloidal structural properties found in antimicrobial peptides (AMPs). Supporting this hypothesis, we here determined the fibril structure of two AMPs from amphibians, uperin 3.5 and aurein 3.3, by cryogenic electron microscopy (cryo-EM), revealing amyloid cross-β fibrils of mated β-sheets at atomic resolution. Uperin 3.5 formed a 3-blade symmetrical propeller of nine peptides per fibril layer including tight β-sheet interfaces. This cross-β cryo-EM structure complements the cross-α fibril conformation previously determined by crystallography, substantiating a secondary structure switch mechanism of uperin 3.5. The aurein 3.3 arrangement consisted of six peptides per fibril layer, all showing kinked β-sheets allowing a rounded compactness of the fibril. The kinked β-sheets are similar to LARKS (Low-complexity, Amyloid-like, Reversible, Kinked Segments) found in human functional amyloids. Fibril ; Cryo-electron microscopy ; Amyloid fibril ; Biophysics ; Amyloid (mycology) ; Chemistry ; Beta sheet ; Crystallography ; Peptide ; Biochemistry ; Biology ; Amyloid β Supramolecular Self-Assembly in Materials ; Alzheimer's disease research and treatments ; Protein Structure and Dynamics
Authors: Ahmad Musa | Mohammad Lutful Hakim | Touhidul Alam | Mohammad Tariqul Islam | Ahmed S. Alshammari | Kamarulzaman Mat | M. Salaheldeen M. | Sami H. A. Almalki | Md. Shabiul Islam
Source: Materials (article, 2022-05-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Polarization Independent Metamaterial Absorber with Anti-Reflection Coating Nanoarchitectonics for Visible and Infrared Window Applications The visible and infrared wavelengths are the most frequently used electromagnetic (EM) waves in the frequency spectrum; able to penetrate the atmosphere and reach Earth's surface. These wavelengths have attracted much attention in solar energy harvesting; thermography; and infrared imaging applications for the detection of electrical failures; faults; or thermal leakage hot spots and inspection of tapped live energized components. This paper presents a numerical analysis of a compact cubic cross-shaped four-layer metamaterial absorber (MA) structure by using a simple metal-dielectric-metal-dielectric configuration for wideband visible and infrared applications. The proposed MA achieved above 80% absorption in both visible and near-infrared regions of the spectrum from 350 to 1250 nm wavelength with an overall unit cell size of 0.57λ × 0.57λ × 0.59λ. The SiO<sub>2</sub> based anti-reflection coating of sandwiched tungsten facilitates to achieve the wide high absorption bandwidth. The perceptible novelty of the proposed metamaterial is to achieve an average absorptivity of 95.3% for both visible and infrared wavelengths with a maximum absorptivity of 98% from 400 nm to 900 nm. Furthermore, the proposed structure provides polarization insensitivity with a higher oblique incidence angle tolerance up to 45°. Materials science ; Infrared ; Metamaterial ; Molar absorptivity ; Optoelectronics ; Optics ; Visible spectrum ; Metamaterial absorber ; Dielectric ; Wavelength ; Coating ; Electromagnetic radiation ; Polarization (electrochemistry) ; Nanotechnology Metamaterials and Metasurfaces Applications ; Thermal Radiation and Cooling Technologies ; Advanced Antenna and Metasurface Technologies
Authors: Alexandru B. Georgescu | Andrew J. Millis
Source: Communications Physics (article, 2022-05-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Quantifying the role of the lattice in metal–insulator phase transitions Abstract Many materials exhibit phase transitions at which both the electronic properties and the crystal structure change. Some authors have argued that the change in electronic order is primary, with the lattice distortion a relatively minor side-effect, and others have argued that the lattice distortions play an essential role in the energetics of the transition. In this paper, we introduce a formalism that resolves this long-standing problem. The methodology works with any electronic structure method that produces solutions of the equation of state determining the electronic order parameter as a function of lattice distortion. We use the formalism to settle the question of the physics of the metal–insulator transitions in the rare-earth perovskite nickelates ( R NiO 3 ) and Ruddlesden–Popper calcium ruthenates (Ca 2 RuO 4 ) in bulk, heterostructure, and epitaxially strained thin film forms, finding that electron-lattice coupling is key to stabilizing the insulating state in both classes of materials. Condensed matter physics ; Lattice (music) ; Phase transition ; Colossal magnetoresistance ; Metal–insulator transition ; Formalism (music) ; Crystal structure ; Electronic structure ; Heterojunction ; Materials science ; Physics ; Metal ; Chemistry ; Quantum mechanics ; Magnetoresistance ; Crystallography ; Magnetic field Magnetic and transport properties of perovskites and related materials ; Electronic and Structural Properties of Oxides ; Advanced Condensed Matter Physics
Authors: Farshad Hamidi | Mohammad Hadi Dehghani | Mahboobeh Kasraee | Mehdi Salari | Leila Shiri | Amir Hossein Mahvi
Source: Scientific Reports (article, 2022-03-19)
Field: Chemistry — Organic Chemistry

Acid red 18 removal from aqueous solution by nanocrystalline granular ferric hydroxide (GFH); optimization by response surface methodology &amp; genetic-algorithm The need for fresh water is more than before by population growth, and industrial development have affected the quality of water supplies, one of the important reason for water contamination is synthetic dyes and their extensive use in industries. Adsorption has been considered as a common methods for dye removal from waters. In this study, Acid Red18 removal in batch mode by using Granular Ferric Hydroxide (GFH) was investigated. The GFH characterized by XRD, FESEM and FTIR analysis. Experiments were designed using RSM-CCD method. The maximum removal efficiency was obtained 78.59% at pH = 5, GFH dosage = 2 g/l, AR18 concentration = 77.5 mg/l and 85 min of contact time. Optimization with RSM and Genetic Algorithm carried out and is similar together. The non-linear adsorption Isotherm and kinetic fitted with Freundlich (R2 = 0.978) and pseudo-second-order (R2 = 0.989) models, respectively. Thermodynamic studies showed that the AR18 adsorption is endothermic process and GFH nature was found spontaneous. Response surface methodology ; Adsorption ; Endothermic process ; Freundlich equation ; Aqueous solution ; Chemistry ; Fourier transform infrared spectroscopy ; Central composite design ; Population ; Chromatography ; Chemical engineering ; Nuclear chemistry ; Organic chemistry Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Environmental remediation with nanomaterials
Authors: Jing Wang | Madison E. Pursell | Amanda DeVor | Olanrewaju Awoyemi | Stephen J. Valentine | Peng Li
Source: PROTEOMICS (review, 2022-11-09)
Field: Chemistry — Spectroscopy

Portable mass spectrometry system: instrumentation, applications, and path to ‘omics analysis Mass spectrometry (MS) is an information rich analytical technique and plays a key role in various 'omics studies. Standard mass spectrometers are bulky and operate at high vacuum, which hinder their adoption by the broader community and utility in field applications. Developing portable mass spectrometers can significantly expand the application scope and user groups of MS analysis. This review discusses the basics and recent advancements in the development of key components of portable mass spectrometers including ionization source, mass analyzer, detector, and vacuum system. Further, major areas where portable mass spectrometers are applied are also discussed. Finally, a perspective on the further development of portable mass spectrometers including the potential benefits for 'omics analysis is provided. Mass spectrometry ; Instrumentation (computer programming) ; Scope (computer science) ; Key (lock) ; Spectrometer ; Computer science ; Analytical Chemistry (journal) ; Systems engineering ; Biochemical engineering ; Nanotechnology ; Chemistry ; Engineering ; Physics ; Chromatography ; Materials science ; Operating system Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Analytical Chemistry and Chromatography
Authors: Yiran Li | Glib Baryshnikov | Farhan Siddique | Peng Wei | Hongwei Wu | Tao Yi
Source: Angewandte Chemie International Edition (article, 2022-10-08)
Field: Materials Science — Materials Chemistry

Vibration‐Regulated Multi‐State Long‐Lived Emission from Star‐Shaped Molecules How to utilize molecular vibration to tune triplet-involved emissions in multiple states is highly challenging. Here, star-shaped triphenylamine derivatives have been employed as model systems to understand how molecular vibration affects thermally activated delayed fluorescence (TADF) and room temperature phosphorescence (RTP) emissions in multiple states. Nonplanar, star-shaped conformations allow molecules to generate appropriate vibrations in the solution state, facilitating vibronic coupling between their T<sub>1</sub> and T<sub>2</sub> states to generate effective TADF. More importantly, a relatively dispersed state can allow the molecules to efficiently vibrate in the solid state, and a crystalline environment further promotes a more efficient TADF. Lastly, by suppressing molecular vibration to inhibit the TADF, ultra-long RTP was observed upon doping these molecules into polymers. These molecules can be used in information encryption and storage as well as bioimaging. Triphenylamine ; Phosphorescence ; Molecule ; Materials science ; Vibration ; Fluorescence ; Solid-state ; Polymer ; Star (game theory) ; Doping ; Photochemistry ; Chemical physics ; Optoelectronics ; Nanotechnology ; Chemistry ; Physics ; Physical chemistry ; Optics ; Composite material ; Organic chemistry ; Acoustics Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Catalytic Cross-Coupling Reactions
Authors: Yuh‐Shan Ho | A. F. M. Fahad Halim | Mohammad Tajul Islam
Source: Frontiers in Bioengineering and Biotechnology (review, 2022-01-17)
Field: Materials Science — Biomaterials

The Trend of Bacterial Nanocellulose Research Published in the Science Citation Index Expanded From 2005 to 2020: A Bibliometric Analysis To gain insight into the trend of bacterial nanocellulose research, a bibliometric analysis was performed using the Science Citation Index Expanded database from 2005 to 2020. The study concentrated on the publication's performance in terms of annual outputs and citations, mainstream journals, categories of the Web of Sciences, leading countries, prominent institutions, and trends in research. Current research priorities and future trends were analyzed after summarizing the most commonly used keywords extracted from words in the paper title analysis, authors' keyword analysis, and <i>KeyWords Plus</i>. The findings revealed that the annual output in the form of scholarly articles on bacterial nanocellulose research steadily increased during the first quartile of the study period, followed by a very rapid increase in the last five-years of the study. Increasing mechanical strength would remain the main future focus of bacterial nanocellulose research to create its scope in different field of applications. Nanocellulose ; Citation ; Science Citation Index ; Web of science ; Citation analysis ; Library science ; Data science ; Political science ; Computer science ; Engineering ; MEDLINE Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Nanoparticles: synthesis and applications
Authors: Pankaj Kumar | Saurabh Kabra | Jacqueline M. Cole
Source: Scientific Data (article, 2022-06-09)
Field: Materials Science — Materials Chemistry

Auto-generating databases of Yield Strength and Grain Size using ChemDataExtractor Abstract The emerging field of material-based data science requires information-rich databases to generate useful results which are currently sparse in the stress engineering domain. To this end, this study uses the’materials-aware’ text-mining toolkit, ChemDataExtractor, to auto-generate databases of yield-strength and grain-size values by extracting such information from the literature. The precision of the extracted data is 83.0% for yield strength and 78.8% for grain size. The automatically-extracted data were organised into four databases: a Yield Strength, Grain Size, Engineering-Ready Yield Strength and Combined database. For further validation of the databases, the Combined database was used to plot the Hall-Petch relationship for, the alloy, AZ31, and similar results to the literature were found, demonstrating how one can make use of these automatically-extracted datasets. Database ; Grain size ; Yield (engineering) ; Domain (mathematical analysis) ; Computer science ; Plot (graphics) ; Field (mathematics) ; Data mining ; Materials science ; Mathematics ; Statistics ; Metallurgy Machine Learning in Materials Science ; Hydrogen embrittlement and corrosion behaviors in metals ; Microstructure and Mechanical Properties of Steels
Authors: Foad Mashayekhi | Seyed Mosayeb Daryanavard | Abbi Abdel‐Rehim | Fatma Bassyouni | Mohamed Abdel‐Rehim
Source: Chemical Papers (review, 2022-09-30)
Field: Chemistry — Analytical Chemistry

Recent molecularly imprinted polymers applications in bioanalysis Bioanalysis ; Molecularly imprinted polymer ; Analyte ; Nanotechnology ; Sample preparation ; Computer science ; Biochemical engineering ; Chromatography ; Materials science ; Chemistry ; Engineering Analytical chemistry methods development ; Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography
Authors: Saeedeh Mokarian Zanjani | Francesco Tintori | Sadra Sadeghi | Pavel Linkov | Sergey Dayneko | Afshin Shahalizad | Hamid Pahlevaninezhad | Majid Pahlevani
Source: Advanced Photonics Research (article, 2022-08-19)
Field: Materials Science — Materials Chemistry

Tailored ZnO Functional Nanomaterials for Solution‐Processed Quantum‐Dot Light‐Emitting Diodes Recent improvements in efficiency and luminance of quantum‐dot light‐emitting diodes (QLEDs) promise a versatile technology for next‐generation lighting and display applications. This is accomplished due to the advances in colloidal quantum‐dot (CQD) synthetic methods together with proper engineering of the charge balance in these devices. The exciton quenching mechanisms occurring at the interface between the QD emissive layer and the zinc oxide (ZnO) electron transport layer (ETL) are one of the important parts of the charge transport path, affecting efficiency and long‐term stability. Herein, a comprehensive overview of the advances in the engineering of ZnO‐based ETLs, in terms of device efficiency and operational stability, is attempted. It is specifically highlighted that significant improvements can be achieved using various ZnO ETL defect passivation methods. This review also describes the key requirements for high‐performance QLEDs from the ETL engineering aspect and catalyzes for further interdisciplinary explorations to realize reliable devices for practical applications. Quantum dot ; Passivation ; Optoelectronics ; Materials science ; Light-emitting diode ; Diode ; Nanomaterials ; Nanotechnology ; Computer science ; Quenching (fluorescence) ; Exciton ; Layer (electronics) ; Physics ; Optics Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; ZnO doping and properties
Authors: Hyunpil Boo | Yoo Seung Lee | Hangbo Yang | Brian W. Matthews | Tom G. Lee | Chee Wei Wong
Source: Scientific Reports (article, 2022-04-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Metasurface wavefront control for high-performance user-natural augmented reality waveguide glasses Augmented reality (AR) devices, as smart glasses, enable users to see both the real world and virtual images simultaneously, contributing to an immersive experience in interactions and visualization. Recently, to reduce the size and weight of smart glasses, waveguides incorporating holographic optical elements in the form of advanced grating structures have been utilized to provide light-weight solutions instead of bulky helmet-type headsets. However current waveguide displays often have limited display resolution, efficiency and field-of-view, with complex multi-step fabrication processes of lower yield. In addition, current AR displays often have vergence-accommodation conflict in the augmented and virtual images, resulting in focusing-visual fatigue and eye strain. Here we report metasurface optical elements designed and experimentally implemented as a platform solution to overcome these limitations. Through careful dispersion control in the excited propagation and diffraction modes, we design and implement our high-resolution full-color prototype, via the combination of analytical-numerical simulations, nanofabrication and device measurements. With the metasurface control of the light propagation, our prototype device achieves a 1080-pixel resolution, a field-of-view more than 40°, an overall input-output efficiency more than 1%, and addresses the vergence-accommodation conflict through our focal-free implementation. Furthermore, our AR waveguide is achieved in a single metasurface-waveguide layer, aiding the scalability and process yield control. Computer science ; Augmented reality ; Wavefront ; Optics ; Virtual reality ; Waveguide ; Holography ; Scalability ; Adaptive optics ; Grating ; Visualization ; Optoelectronics ; Materials science ; Artificial intelligence ; Physics Metamaterials and Metasurfaces Applications ; Advanced Optical Imaging Technologies ; Photonic Crystals and Applications
Authors: Di Zhang | Jie Zou | Weilong Chen | Shek‐Man Yiu | Man‐Kit Tse | Jingdong Luo | Alex K.‐Y. Jen
Source: Chemistry of Materials (article, 2022-04-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Efficient, Stable, and Scalable Push–Pull Heptamethines for Electro-Optics Currently, there is increasing interest in the use of push–pull heptamethine chromophores containing the 2-dicyanomethylidene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran (TCF) electron acceptor for electro-optic (EO) applications. Compared with the benchmark push–pull tetraenes with a stronger trifluoromethyl-substituted TCF acceptor (CF3-TCF), the TCF-based push–pull heptamethines showed lower EO activities; however, they have better chemical and thermal stability and higher synthetic efficacy. Herein we report the facile synthesis and analysis of structure–property relationship of dipolar heptamethines containing a strong electron acceptor, bis(4-fluorophenyl)-substituted TCF (FP-TCF). The FP-TCF acceptor was synthesized through two consecutive multiple steps, one-pot reactions to achieve a good overall yield of 50%, which is higher than that of making CF3-TCF. The reduced π–π stacking and fine-tuned bond-length alternation boost the nonlinear optical activities of FP-TCF-based heptamethines in plasmon-coupled EO polymer waveguides, leading to larger EO coefficients (up to 205%) over those of the TCF-based chromophores. More importantly, we demonstrate for the first time an ultralarge molecular first hyperpolarizability of 8437 × 10–30 esu at 1304 nm for M1a-FP-ON, which exceeds the results of two best-performing but synthetically demanding push–pull tetraene chromophores. The results mark an important milestone in developing highly efficient push–pull polymethines with good stability and synthetic scalability for photonic applications. Chromophore ; Stacking ; Hyperpolarizability ; Acceptor ; Thermal stability ; Materials science ; Electron acceptor ; Push pull ; Nonlinear optics ; Chemistry ; Combinatorial chemistry ; Photochemistry ; Molecule ; Nonlinear system ; Physics ; Organic chemistry Nonlinear Optical Materials Research ; Porphyrin and Phthalocyanine Chemistry ; Photonic and Optical Devices
Authors: Md Monir Hossain | Arinola Isa Olamilekan | Hyun-Oh Jeong | Hongjin Lim | Young-Kyeong Kim | Hyunjin Cho | Hyeon Dam Jeong | Md. Akherul Islam | Munju Goh | Nam‐Ho You | Myung Jong Kim | Siyoung Q. Choi | Jae Ryang Hahn | Hyeonuk Yeo | Se Gyu Jang
Source: Macromolecules (article, 2022-05-04)
Field: Materials Science — Materials Chemistry

Diacetylene-Containing Dual-Functional Liquid Crystal Epoxy Resin: Strategic Phase Control for Topochemical Polymerization of Diacetylenes and Thermal Conductivity Enhancement Liquid crystal epoxy resins (LCERs) with high thermal conductivity have been drawing significant attention to overcome the thermal conductivity limitation of polymeric composites. Nonetheless, the strategy to enhance the thermal conductivity of LCERs has been primarily focused on improving the well-ordered molecular structure originated from LC phases to reduce phonon scattering. Furthermore, other important factors for the enhancement of thermal conductivity such as intermolecular interaction, fine-tuning of the polymer chain structure, and interchain conjugation have been rarely investigated for LCERs. Here, we introduce a dual-functional LCER enabling the creation of well-ordered microstructures as well as intermolecular π-conjugation networks synergistically suppressing the phonon scattering. As a key design functional group, the diphenyl-diacetylene (DPDA) mesogen was employed to assemble a highly ordered lamellar microstructure and create interchain π-conjugation networks via topochemical polymerization of well-organized diacetylenes. The thermal conductivity of cured DPDA epoxy resin with a highly ordered lamellar structure (∼0.43 W m–1 K–1) was 194% compared to a commercial epoxy resin (∼0.22 W m–1 K–1). Thermal conductivity was further increased up to 227% (∼0.50 W m–1 K–1) via post-topochemical polymerization of diacetylenes, leading to π-conjugation and interchain π–π stacking. Furthermore, the thermal conductivity of the composites prepared with hexagonal boron nitride fillers was also increased by 19% after simple heat treatment of the composites, inducing topochemical polymerization of diacetylenes. Finally, a striking thermal conductivity increase from 10.3 W m–1 K–1 to 18.3 W m–1 K–1 was observed by simply replacing the matrix from the commercial one to DPDA epoxy resin (DPDAER), clearly revealing the superiority of our DPDAER in the development of high-thermal-conductivity composites. Diacetylene ; Polymerization ; Lamellar structure ; Materials science ; Epoxy ; Thermal conductivity ; Liquid crystal ; Intermolecular force ; Mesogen ; Polymer chemistry ; Stacking ; Polymer ; Chemical engineering ; Composite material ; Chemistry ; Organic chemistry ; Molecule Thermal properties of materials ; Synthesis and properties of polymers ; Adhesion, Friction, and Surface Interactions