jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bernhard Burtscher | Pamela Allison Manco Urbina | Chiara Diacci | Simone Borghi | Marcello Pinti | Andrea Cossarizza | Carlo Salvarani | Magnus Berggren | Fabio Biscarini | Daniel T. Simon | Carlo Augusto Bortolotti
Source: Advanced Healthcare Materials (review, 2021-08-22)
Field: Materials Science — Polymers and Plastics

Sensing Inflammation Biomarkers with Electrolyte‐Gated Organic Electronic Transistors An overview of cytokine biosensing is provided, with a focus on the opportunities provided by organic electronic platforms for monitoring these inflammation biomarkers which manifest at ultralow concentration levels in physiopathological conditions. Specifically, two of the field's state-of-the-art technologies-organic electrochemical transistors (OECTs) and electrolyte gated organic field effect transistors (EGOFETs)-and their use in sensing cytokines and other proteins associated with inflammation are a particular focus. The overview will include an introduction to current clinical and "gold standard" quantification techniques and their limitations in terms of cost, time, and required infrastructure. A critical review of recent progress with OECT- and EGOFET-based protein biosensors is presented, alongside a discussion onthe future of these technologies in the years and decades ahead. This is especially timely as the world grapples with limited healthcare diagnostics during the Coronavirus disease (COVID-19)pandemic where one of the worst-case scenarios for patients is the "cytokine storm." Clearly, low-cost point-of-care technologies provided by OECTs and EGOFETs can ease the global burden on healthcare systems and support professionals by providing unprecedented wealth of data that can help to monitor disease progression in real time. Nanotechnology ; Cytokine storm ; Coronavirus disease 2019 (COVID-19) ; Computer science ; Transistor ; Point of care ; Biosensor ; Risk analysis (engineering) ; Biochemical engineering ; Medicine ; Disease ; Materials science ; Engineering ; Electrical engineering ; Infectious disease (medical specialty) ; Pathology Conducting polymers and applications ; Analytical Chemistry and Sensors ; Electrochemical sensors and biosensors
Authors: Jean‐Yves Raty | Carlo Gatti | Carl‐Friedrich Schön | Matthias Wuttig
Source: physica status solidi (RRL) - Rapid Research Letters (article, 2021-08-19)
Field: Materials Science — Materials Chemistry

How to Identify Lone Pairs, Van der Waals Gaps, and Metavalent Bonding Using Charge and Pair Density Methods: From Elemental Chalcogens to Lead Chalcogenides and Phase‐Change Materials Lone pairs explain the structure of many molecular solids, as well as the chain‐like or layered structures encountered in many chalcogenide crystals. Such chalcogenides have enabled a plethora of applications, including phase‐change memories, thermoelectrics, topological insulators or photoconductors. In many of these, lone pairs also are invoked to explain the unconventional material properties. The presence of so‐called van der Waals gaps in layered chalcogenides and their low thermal conductivity have also been linked to lone pairs. However, for some of these systems, a second view of bonding has been proposed, where atoms are held together across the interlayer spacing by shared electrons. To clarify this situation, herein, several systems for which lone pairs have been frequently emphasized are reinvestigated theoretically. By comparing the charge and electron localization analysis in terms of a Hartree–Fock‐like pair density obtained from Kohn–Sham density functional theory (KS‐DFT), it is verified that the structure of several chalcogenides is governed by the presence of lone pairs, whereas others are not. As an example, crystalline Se is demonstrated to form a structure with two covalent bonds and a lone pair, whereas metavalenty bonds are the essential characteristics of crystalline Sb, crystalline Te being an intermediate case. Lone pair ; Chalcogen ; van der Waals force ; Density functional theory ; Chalcogenide ; Crystallography ; Chemical physics ; Chemistry ; Electron pair ; Phase (matter) ; Charge density ; Band gap ; Chemical bond ; Materials science ; Condensed matter physics ; Computational chemistry ; Electron ; Molecule ; Physics ; Quantum mechanics Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Advanced Thermoelectric Materials and Devices
Authors: Alona Pawłowska | Magdalena Stepczyńska
Source: Journal of Polymers and the Environment (review, 2021-10-23)
Field: Materials Science — Materials Chemistry

Natural Biocidal Compounds of Plant Origin as Biodegradable Materials Modifiers The article presents a literature review of the plant origin natural compounds with biocidal properties. These compounds could be used as modifiers of biodegradable materials. Modification of polymer material is one of the basic steps in its manufacturing process. Biodegradable materials play a key role in the current development of materials engineering. Natural modifiers are non-toxic, environmentally friendly, and renewable. The substances contained in natural modifiers exhibit biocidal properties against bacteria and/or fungi. The article discusses polyphenols, selected phenols, naphthoquinones, triterpenoids, and phytoncides that are natural antibiotics. Due to the increasing demand for biodegradable materials and the protection of the natural environment against the negative effects of toxic substances, it is crucial to replace synthetic modifiers with plant ones. This work mentions industries where materials containing natural modifying additives could find potential applications. Moreover, the probable examples of the final products are presented. Additionally, the article points out the current world's pandemic state and the use of materials with biocidal properties considering the epidemiological conditions. Materials science ; Biochemical engineering ; Natural (archaeology) ; Natural materials ; Environmentally friendly ; Biodegradable polymer ; Nanotechnology ; Polymer ; Polymer science ; Composite material ; Biology ; Engineering ; Ecology Nanoparticles: synthesis and applications ; Chemistry and Chemical Engineering ; Essential Oils and Antimicrobial Activity
Authors: Mohammednoor Altarawneh
Source: Journal of Hazardous Materials (article, 2021-08-10)
Field: Materials Science — Materials Chemistry

Temperature-dependent profiles of dioxin-like toxicants from combustion of brominated flame retardants Bromine ; Chemistry ; Combustion ; Reaction rate constant ; Decomposition ; Kinetic energy ; Polybrominated diphenyl ethers ; Reaction mechanism ; Molecule ; Atmospheric temperature range ; Organic chemistry ; Pollutant ; Kinetics ; Thermodynamics ; Catalysis Catalytic Processes in Materials Science ; Air Quality and Health Impacts ; Toxic Organic Pollutants Impact
Authors: Tatiana N. Tikhonova | Nataliya N. Rovnyagina | Zohar A. Arnon | Boris P. Yakimov | Yuri M. Efremov | Dana Cohen‐Gerassi | Michal Halperin‐Sternfeld | Nastasia V. Kosheleva | Vladimir P. Drachev | Andrey А. Svistunov | Peter Timashev | Lihi Adler‐Abramovich | Evgeny A. Shirshin
Source: Angewandte Chemie International Edition (article, 2021-09-30)
Field: Materials Science — Biomaterials

Mechanical Enhancement and Kinetics Regulation of Fmoc‐Diphenylalanine Hydrogels by Thioflavin T The self-assembly of peptides is a key direction for fabrication of advanced materials. Novel approaches for fine tuning of macroscopic and microscopic properties of peptide self-assemblies are of a high demand for constructing biomaterials with desired properties. In this work, while studying the kinetics of the Fmoc-Diphenylalanine (Fmoc-FF) dipeptide self-assembly using the Thioflavin T (ThT) dye, we observed that the presence of ThT strongly modifies structural and mechanical properties of the Fmoc-FF hydrogel. Notably, the presence of ThT resulted in a tenfold increase of the gelation time and in the formation of short and dense fibers in the hydrogel. As a result of these morphological alteration higher thermal stability, and most important, tenfold increase of the hydrogel rigidity was achieved. Hence, ThT not only slowed the kinetics of the Fmoc-FF hydrogel formation, but also strongly enhanced its mechanical properties. In this study, we provide a detailed description of the ThT effect on the hydrogel properties and suggest the mechanisms for this phenomenon, paving the way for the novel approach to the control of the peptide hydrogels' micro- and macroscale properties. Self-healing hydrogels ; Kinetics ; Thioflavin ; Dipeptide ; Peptide ; Self-assembly ; Thermal stability ; Nanotechnology ; Chemistry ; Structural rigidity ; Fabrication ; Materials science ; Chemical engineering ; Biophysics ; Polymer chemistry ; Organic chemistry ; Biochemistry Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Hydrogels: synthesis, properties, applications
Authors: Jun Wang | Qizhen Li | Hui Zhao | Wentong Yue | Kaiwen Zhang | Xingyu Jiang | Kai Li
Source: ACS Nano (article, 2021-12-17)
Field: Materials Science — Materials Chemistry

Facile and Controllable Synthesis of the Renal-Clearable “Luminous Pearls” for <i>in Vivo</i> Afterglow/Magnetic Resonance Imaging To date, the strategic exploration of a synthetic approach to afford persistent luminescent nanoparticles (PLNPs) integrated with precisely controlled size/monodispersity and renal-clearable capability remains extremely challenging. Herein, we report a facile synthetic process with an elucidated mechanism to fine-tune the size for acquiring renal-clearable PLNPs, using mesoporous silica nanoparticles (MSNs) as a template. This strategy relies on the controlled crystallization of the precursor ions in the pore channels of MSNs at a high temperature, leading to the formation of monodispersed PLNPs with an average diameter as small as 2.5 nm after complete removal of MSN templates. The as-prepared ultrasmall PLNPs coated with polyethylene glycol exhibit uniform size, excellent water-dispersibility, good persistent luminescence, and high <i>T</i><sub>1</sub> relaxivity (17.6 mM<sup>-1</sup>·S<sup>-1</sup>), ensuring their suitability for afterglow/magnetic resonance dual-modality imaging and subsequent <i>in vivo</i> renal clearance. Thus, our study provides a strategy to inspire the controlled synthesis of diverse PLNPs by using MSN templates, simultaneously addressing the critical issues of precise adjustment of size and body clearance for versatile biomedical applications. Materials science ; Nanotechnology ; Nanoparticle ; Template ; Polyethylene glycol ; Persistent luminescence ; Magnetic resonance imaging ; Afterglow ; Luminescence ; Chemical engineering ; Optoelectronics Luminescence Properties of Advanced Materials ; Lanthanide and Transition Metal Complexes ; Luminescence and Fluorescent Materials
Authors: Bakhat Ali | Muhammad Khalid | Sumreen Asim | Muhammad Usman Khan | Zahid Iqbal | Ajaz Hussain | Riaz Hussain | Sarfraz Ahmed | Akbar Ali | Amjad Hussain | Muhammad Imran | Mohammed A. Assiri | Muhammad Fayyaz ur Rehman | Chenxi Wang | Changrui Lu
Source: Molecules (article, 2021-05-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Key Electronic, Linear and Nonlinear Optical Properties of Designed Disubstituted Quinoline with Carbazole Compounds Organic materials development, especially in terms of nonlinear optical (NLO) performance, has become progressively more significant owing to their rising and promising applications in potential photonic devices. Organic moieties such as carbazole and quinoline play a vital role in charge transfer applications in optoelectronics. This study reports and characterizes the donor-acceptor-donor-π-acceptor (D-A-D-π-A) configured novel designed compounds, namely, <b>Q3D1</b>-<b>Q3D3</b>, <b>Q4D1</b>-<b>Q1D2</b>, and <b>Q5D1</b>. We further analyze the structure-property relationship between the quinoline-carbazole compounds for which density functional theory (DFT) and time-dependent DFT (TDDFT) calculations were performed at the B3LYP/6-311G(d,p) level to obtain the optimized geometries, natural bonding orbital (NBO), NLO analysis, electronic properties, and absorption spectra of all mentioned compounds. The computed values of λ<sub>max</sub>, 364, 360, and 361 nm for <b>Q3</b>, <b>Q4</b>, and <b>Q5</b> show good agreement of their experimental values: 349, 347, and 323 nm, respectively. The designed compounds (<b>Q3D1</b>-<b>Q5D1</b>) exhibited a smaller energy gap with a maximum redshift than the reference molecules (<b>Q3</b>-<b>Q5</b>), which govern their promising NLO behavior. The NBO evaluation revealed that the extended hyperconjugation stabilizes these systems and caused a promising NLO response. The dipole polarizabilities and hyperpolarizability (β) values of <b>Q3D1</b>-<b>Q3D3</b>, <b>Q4D1</b>-<b>Q1D2</b>, and <b>Q5D1</b> exceed those of the reference <b>Q3</b>, <b>Q4</b>, and <b>Q5</b> molecules. These data suggest that the NLO active compounds, <b>Q3D1</b>-<b>Q3D3</b>, <b>Q4D1</b>-<b>Q1D2</b>, and <b>Q5D1</b>, may find their place in future hi-tech optical devices. Hyperpolarizability ; Natural bond orbital ; Carbazole ; Time-dependent density functional theory ; Density functional theory ; Quinoline ; Acene ; Acceptor ; Electronegativity ; Computational chemistry ; Materials science ; Molecule ; Chemistry ; Polarizability ; Photochemistry ; Organic chemistry ; Physics Nonlinear Optical Materials Research ; Nonlinear Optical Materials Studies ; Chemical synthesis and pharmacological studies
Authors: Jari F. Scheerstra | Annelies C. Wauters | Jurjen Tel | Loai K. E. A. Abdelmohsen | Jan C. M. van Hest
Source: Materials Today Advances (article, 2021-12-31)
Field: Materials Science — Biomaterials

Polymersomes as a potential platform for cancer immunotherapy With the focus in the field of cancer nanomedicine shifting from direct tumor targeting to modulation of the immune system, new opportunities arise for the employment of nanocarrier systems. Polymeric nanovesicles, or polymersomes, have been under investigation as a potential nanocarrier platform for the past decades. These investigations have enhanced our fundamental knowledge on how to tailor physicochemical properties, such as size and shape, surface chemistry and functionalization, and membrane characteristics. The versatile nature and high structural stability of polymersomes makes them suitable for cancer treatment that goes beyond drug delivery. Rational nanocarrier design allows for the spatiotemporal control over the function of specific immune cell targets to enhance cancer immunotherapy. This review provides a perspective view on the potential of polymersomes as a multifunctional platform for in vivo cancer immunotherapy. We discuss opportunities to implement polymersomes in the field, elaborate on their design considerations for immunotherapeutic applications and compare polymersomes with lipid nanoparticles and other relevant systems. Current challenges and future perspectives are addressed to underline what is needed to employ polymersomes as a platform for cancer immunotherapy. Polymersome ; Nanocarriers ; Nanomedicine ; Nanotechnology ; Cancer immunotherapy ; Immunotherapy ; Cancer ; Drug delivery ; Immune system ; Medicine ; Materials science ; Nanoparticle ; Immunology ; Amphiphile Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery
Authors: Mozaffar Shakeri | ZeynabAlsadat Khatami Shal | Pascal Van Der Voort
Source: Materials (review, 2021-09-05)
Field: Materials Science — Materials Chemistry

An Overview of the Challenges and Progress of Synthesis, Characterization and Applications of Plugged SBA-15 Materials for Heterogeneous Catalysis A new generation of SBA-15, plugged SBA-15, was initially synthesized in 2002 using extra silica precursors (Si/organic template molar ratios ≈ 80-140) in the gel mixture. The plugged SBA-15 materials possess short cylinders (length ≈ 20-100 nm), which are connected to neighbors by constricted entrances (windows) through the central axis. The gas adsorption-desorption isotherms of plugged SBA-15 materials present unique hysteresis loop Type H5 classification identified by IUPAC in 2015, which is related to certain pore structures containing open and plugged mesopores. The plugged SBA-15 has been used to support various types of catalysts, including metal complexes, metal nanocatalysts, and active metals by the incorporation in their framework demonstrating excellent (enantio)selectivity, stability against coke, and thermal stability. The plugged SBA-15 materials bear the other unique properties of the ship-in-the-bottle synthesis of, e.g., metal complexes that confine homogeneous catalysts, which is not possible by conventional SBA-15 due to leaching. In this mini-review, the challenges and progress of the synthesis in controlling the plugging and incorporation of metals and organic moiety in their framework, characterizing the short mesochannel dimensions (window and length sizes) by several advanced techniques and applying plugged SBA-15 materials in heterogeneous catalysis for challenging reactions, has been discussed. Characterization (materials science) ; Catalysis ; Nanotechnology ; Materials science ; Heterogeneous catalysis ; Chemistry ; Organic chemistry Mesoporous Materials and Catalysis ; Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions
Authors: Yaoting Wang | Corie M. McHale | Xiqu Wang | Chung‐Kai Chang | Yu‐Chun Chuang | Watchareeya Kaveevivitchai | Ognjen Š. Miljanić | Teng‐Hao Chen
Source: Angewandte Chemie International Edition (article, 2021-03-28)
Field: Chemistry — Inorganic Chemistry

Cyclotetrabenzoin Acetate: A Macrocyclic Porous Molecular Crystal for CO <sub>2</sub> Separations by Pressure Swing Adsorption** A porous molecular crystal (PMC) assembled by macrocyclic cyclotetrabenzoin acetate is an efficient adsorbent for CO<sub>2</sub> separations. The 7.1×7.1 Å square pore of PMC and its ester C=O groups play important roles in improving its affinity for CO<sub>2</sub> molecules. The benzene walls of macrocycle engage in an apparent [π⋅⋅⋅π] interaction with the molecule of CO<sub>2</sub> at low pressure. In addition, the polar carbonyl groups pointing inward the square channels reduce the size of aperture to a 5.0×5.0 Å square, which offers kinetic selectivity for CO<sub>2</sub> capture. The PMC features water tolerance and high structural stability under vacuum and various gas adsorption conditions, which are rare among intrinsically porous organic molecules. Most importantly, the moderate adsorbate-adsorbent interaction allows the PMC to be readily regenerated, and therefore applied to pressure swing adsorption processes. The eluted N<sub>2</sub> and CH<sub>4</sub> are obtained with over 99.9 % and 99.8 % purity, respectively, and the separation performance is stable for 30 cycles. Coupled with its easy synthesis, cyclotetrabenzoin acetate is a promising adsorbent for CO<sub>2</sub> separations from flue and natural gases. Adsorption ; Pressure swing adsorption ; Chemistry ; Molecule ; Vacuum swing adsorption ; Elution ; Selectivity ; Porosity ; Benzene ; Chemical engineering ; Flue gas ; Crystal (programming language) ; Organic chemistry ; Chromatography ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon Dioxide Capture Technologies
Authors: Carla Boix‐Constant | Samuel Mañas‐Valero | Rosa Córdoba | José J. Baldoví | Ángel Rubio | Eugenio Coronado
Source: ACS Nano (article, 2021-07-06)
Field: Materials Science — Materials Chemistry

Out-of-Plane Transport of 1T-TaS<sub>2</sub>/Graphene-Based van der Waals Heterostructures Due to their anisotropy, layered materials are excellent candidates for studying the interplay between the in-plane and out-of-plane entanglement in strongly correlated systems. A relevant example is provided by 1T-TaS<sub>2</sub>, which exhibits a multifaceted electronic and magnetic scenario due to the existence of several charge density wave (CDW) configurations. It includes quantum hidden phases, superconductivity and exotic quantum spin liquid (QSL) states, which are highly dependent on the out-of-plane stacking of the CDW. In this system, the interlayer stacking of the CDW is crucial for interpreting the underlying electronic and magnetic phase diagram. Here, atomically thin-layers of 1T-TaS<sub>2</sub> are integrated in vertical van der Waals heterostructures based on few-layers graphene contacts and their electrical transport properties are measured. Different activation energies in the conductance and a gap at the Fermi level are clearly observed. Our experimental findings are supported by fully self-consistent DFT+U calculations, which evidence the presence of an energy gap in the few-layer limit, not necessarily coming from the formation of out-of-plane spin-paired bilayers at low temperatures, as previously proposed for the bulk. These results highlight dimensionality as a key effect for understanding quantum materials as 1T-TaS<sub>2</sub>, enabling the possible experimental realization of low-dimensional QSLs. Condensed matter physics ; van der Waals force ; Graphene ; Heterojunction ; Materials science ; Stacking ; Phase diagram ; Charge density wave ; Spin (aerodynamics) ; Superconductivity ; Physics ; Nanotechnology ; Phase (matter) ; Quantum mechanics 2D Materials and Applications ; Graphene research and applications ; Quantum and electron transport phenomena
Authors: M. Pourmand | P. K. Choudhury | Mohd Ambri Mohamed
Source: Scientific Reports (article, 2021-02-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tunable absorber embedded with GST mediums and trilayer graphene strip microheaters Investigation was made of the optical response of metal-dielectric stacks-based cavity structures embedded with graphene microheaters for the purpose of perfect absorption. The absorber configuration exploits the Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub> (GST) phase changing medium, and the effects of different parametric and operational conditions on the absorption spectra were explored. The refractive indices of GST layers can be manipulated by the external electrical pulses applied to microheaters. The amplitude and duration of electrical pulses define the crystallinity ratio of the used GST mediums. The results revealed achieving perfect absorption (> 99%) in the visible and infrared (IR) regimes of the electromagnetic spectrum upon incorporating two thin GST layers of different thicknesses (in the stack) in the amorphous state. The proposed configuration showed the capability of introducing independent transition state (amorphous and/or crystalline) for each GST layer-the visible regime could be extended to the IR regime, and the perfect absorption peak in the IR regime could be broadened and red-shifted. It is expected that the structure would find potential applications in active photonic devices, infrared imaging, detectors and tunable absorbers. Graphene ; Materials science ; Optoelectronics ; Nanotechnology Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Graphene research and applications