jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sandra Pacharra | Rocío Ortiz | Seán McMahon | Wenxin Wang | Richard Viebahn | Jochen Salber | Iban Quintana
Source: Journal of Biomedical Materials Research Part B Applied Biomaterials (article, 2018-08-09)
Field: Materials Science — Surfaces, Coatings and Films

Surface patterning of a novel PEG‐functionalized poly‐<scp>l</scp>‐lactide polymer to improve its biocompatibility: Applications to bioresorbable vascular stents Today, research in the field of bioresorbable vascular stents (BVS) not only focusses on a new material being nontoxic but also tries to enhance its biocompatibility in terms of endothelialization potential and hemocompatibility. To this end, we used picosecond laser ablation technology as a single-step and contactless method for surface microstructuring of a bioresorbable polymer which can be utilized in stent manufacture. The method works on all materials via fast material removal, can be easily adapted for micropatterning of tubular or more complex sample shapes and scaled up by means of micropatterning of metal molds for manufacturing. Here, picosecond laser ablation was applied to a bioresorbable, biologically inactive and polyethylene glycol-modified poly-L-lactide polymer (PEGylated PLLA) to generate parallel microgrooves with varying geometries. The different patterns were thoroughly evaluated by a series of cyto- and hemocompatibility tests revealing that all surfaces were non-toxic and non-hemolytic. More importantly, patterns with 20 to 25 µm wide and 6 to 7 µm deep grooves significantly enhanced endothelial cell adhesion in comparison to samples with smaller grooves. Here, human cardiac microvascular endothelial cells were found to align along the groove direction, which is thought to encourage endothelialization of intraluminal surfaces of BVS. © 2018 The Authors Journal of Biomedical Materials Research Part B: Applied Biomaterials Published by Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 00B: 000-000, 2018. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 107B: 624-634, 2019. Biocompatibility ; PEG ratio ; Materials science ; Lactide ; Surface modification ; Polymer ; Biomedical engineering ; Nanotechnology ; Chemistry ; Polymerization ; Medicine ; Composite material Polymer Surface Interaction Studies ; Electrospun Nanofibers in Biomedical Applications ; Bone Tissue Engineering Materials
Authors: Joanna Boucard | Camille Linot | Thibaut Blondy | Steven Nédellec | Philippe Hulin | Christophe Blanquart | Lénaïc Lartigue | Éléna Ishow
Source: Small (article, 2018-08-26)
Field: Materials Science — Materials Chemistry

Small Molecule‐Based Fluorescent Organic Nanoassemblies with Strong Hydrogen Bonding Networks for Fine Tuning and Monitoring Drug Delivery in Cancer Cells Bright supramolecular fluorescent organic nanoassemblies (FONs), based on strongly polar red-emissive benzothiadiazole fluorophores containing acidic units, are fabricated to serve as theranostic tools with large colloidal stability in the absence of a polymer or surfactant. High architectural cohesion is ensured by the multiple hydrogen-bonding networks, reinforced by the dipolar and hydrophobic interactions developed between the dyes. Such interactions are harnessed to ensure high payload encapsulation and efficient trapping of hydrophobic and hydrogen-bonding drugs like doxorubicin, as shown by steady state and time-resolved measurements. Fine tuning of the drug release in cancer cells is achieved by adjusting the structure and combination of the fluorophore acidic units. Notably delayed drug delivery is observed by confocal microscopy compared to the entrance of hydrosoluble doxorubicin, demonstrating the absence of undesirable burst release outside the cells by using FONs. Since FON-constituting fluorophores exhibit a large emission shift from red to green when dissociating in contact with the lipid cellular content, drug delivery could advantageously be followed by dual-color spectral detection, independently of the drug staining potentiality. Fluorescence ; Materials science ; Drug delivery ; Nanotechnology ; Hydrogen bond ; Molecule ; Small molecule ; Photochemistry ; Chemistry ; Organic chemistry Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Supramolecular Self-Assembly in Materials
Authors: Mu‐Tian Li | Monan Liu | Yan‐Hao Yu | Ai-Wu Li | Hong‐Bo Sun
Source: Bulletin of the Chemical Society of Japan (article, 2018-11-02)
Field: Materials Science — Surfaces, Coatings and Films

Laser-Structured Graphene/Reduced Graphene Oxide Films towards Bio-Inspired Superhydrophobic Surfaces Abstract Fine-tuning the physical and chemical properties of graphene and its derivatives is crucial for developing novel multi-functional graphene-based devices. Natural bio-surfaces with rich micro-nanostructures are inspirational for such schemes since they possess unique properties such as superhydrophobicity. In order to effectively acquire these bio-functions, graphene-related materials need to be structured into regularly arranged biomimetic structures. Laser-processing techniques, such as two beam laser interference lithography and femtosecond laser direct-writing, are powerful prototype techniques for their outstanding patterning ability. Herein, we briefly reviewed laser-structuring on graphene or graphene oxide to realize highly functional biomimetic surfaces. Graphene ; Chemistry ; Oxide ; Nanotechnology ; Graphene oxide paper ; Laser ; Optics ; Organic chemistry ; Materials science Surface Modification and Superhydrophobicity ; Graphene research and applications ; Electrohydrodynamics and Fluid Dynamics
Authors: Kohei Yoshida | Shunma Tanaka | Takuya Yamamoto | Kenji Tajima | Rédouane Borsali | Takuya Isono | Toshifumi Satoh
Source: Macromolecules (article, 2018-10-30)
Field: Materials Science — Materials Chemistry

Chain-End Functionalization with a Saccharide for 10 nm Microphase Separation: “Classical” PS-<i>b</i>-PMMA versus PS-<i>b</i>-PMMA-Saccharide Microphase-separated structures of block copolymers (BCPs) have attracted much attention as template materials for bottom-up nanofabrication. At the same time, chain-end modification has become a leading facile and efficient technique for fine-tuning the morphologies of microphase-separated structures generated from BCPs. Herein, we describe the preparation of well-defined polystyrene-block-poly(methyl methacrylate)s (PS-b-PMMAs) bearing highly hydrophilic mono/oligosaccharide moieties at their PMMA chain ends (SM-mono/oligosaccharides) as well as the impact of the mono/oligosaccharide on microphase separation behavior. PS-b-PMMAs were terminal-selectively transesterified using the titanium alkoxide of 6-azido-1-hexanol to introduce azido groups into the side chains of the terminal MMA units. The azido-functionalized PS-b-PMMAs were subsequently click reacted with ethynyl-functionalized mono/oligosaccharides to yield SM-mono/oligosaccharides. Small-angle X-ray scattering and microscopy experiments reveal that PS-b-PMMAs bearing maltotrioses at their chain ends (SM-MTs), and with total molecular weights of ∼10 kg mol–1, successfully form microphase-separated structures, although the unmodified PS-b-PMMAs exist in miscible states. Interestingly, the SM-MT with equivalent PS- and PMMA-MT-block volume fractions microphase separated to form a hexagonally close-packed cylinder with a domain spacing of 11.5 nm, rather than a lamellar structure, implying that the phase diagram for microphase separation is significantly affected by strong maltotriose aggregation. Hence, the results presented herein demonstrate that the incorporation of oligosaccharide moieties at chain ends is an efficient means of fine-tuning the size features as well as the morphologies of BCP microphase-separated structures. Materials science ; Copolymer ; Polymer chemistry ; Polystyrene ; Lamellar structure ; Surface modification ; Amphiphile ; Polymer ; Chemical engineering ; Chemistry ; Composite material ; Physical chemistry Block Copolymer Self-Assembly ; Advanced Polymer Synthesis and Characterization ; Polymer crystallization and properties
Authors: Pagidi Sudhakar | Kalluvettukuzhy K. Neena | Pakkirisamy Thilagar
Source: Langmuir (article, 2018-06-20)
Field: Materials Science — Materials Chemistry

Triarylboron Anchored Luminescent Probes: Selective Detection and Imaging of Thiophenols in the Intracellular Environment The advances in boron incorporated organics have captured overwhelming interest on account of their outstanding properties and promising applications in various fields. Mostly, triarylborane compounds (TAB) are exploited as sensors of F<sup>-</sup> and CN<sup>-</sup> anions at the expense of the intrinsic Lewis acidic nature of boron. New molecular probes 1 and 2 for detection of toxic thiophenol were designed by conjugating highly fluorescent borylanilines with the luminescent quencher 2,4-dinitrobenzene based sulfonamides (DNBS), wherein the electrophilicity of the DNBS moiety has been modulated by fine-tuning the intrinsic Lewis acidity of boron. The interplay between PET (photoinduced electron transfer) and ICT have been employed for developing the TAB tethered turn-on fluorescent sensor for thiophenol with high selectivity for the first time. The newly developed probes showed very fast response toward thiophenol (within ∼5 min) with limits of detection (LOD) lying in the micromolar range, clearly pointing to their potential. Further, compounds 1 and 2 were explored for detecting thiophenol in the intracellular environment by discriminating biothiols. DFT and TD-DFT calculations were performed to support the sensing mechanism. Luminescence ; Aggregation-induced emission ; Intracellular ; Chemistry ; Luminescent Measurements ; Nanotechnology ; Photochemistry ; Fluorescence ; Chemical engineering ; Materials science ; Optoelectronics ; Optics ; Biochemistry ; Physics Luminescence and Fluorescent Materials ; Sulfur Compounds in Biology ; Molecular Sensors and Ion Detection
Authors: Habibe Durmaz | Yuyu Li | Arif E. Çetin
Source: Sensors and Actuators B Chemical (article, 2018-08-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A multiple-band perfect absorber for SEIRA applications Finite-difference time-domain method ; Materials science ; Permittivity ; Wavelength ; Absorption (acoustics) ; Optoelectronics ; Permeability (electromagnetism) ; Bilayer ; Electrical impedance ; Optics ; Dielectric ; Chemistry ; Physics ; Composite material Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Plasmonic and Surface Plasmon Research
Authors: Jintao Fu | Eric Detsi | J. Th. M. De Hosson
Source: Surface and Coatings Technology (article, 2018-05-03)
Field: Materials Science — Materials Chemistry

Recent advances in nanoporous materials for renewable energy resources conversion into fuels Nanoporous ; Renewable energy ; Materials science ; Catalysis ; Nanotechnology ; Renewable fuels ; Renewable resource ; Process engineering ; Chemistry ; Engineering Nanoporous metals and alloys ; Electrocatalysts for Energy Conversion ; Supercapacitor Materials and Fabrication
Authors: Alberto von Mankowski | Katalin Szendrei‐Temesi | Charlotte Koschnick | Bettina V. Lotsch
Source: Nanoscale Horizons (article, 2018-01-01)
Field: Chemistry — Inorganic Chemistry

Improving analyte selectivity by post-assembly modification of metal–organic framework based photonic crystal sensors The porous nature and structural diversity of metal-organic frameworks (MOFs) provide a versatile platform for specific and selective sorption behavior. When integrated as functional layers into photonic crystals (PCs), loading of the porous network with organic solvent vapors translates into an optical response, allowing analyte discrimination according to the specific host-guest interactions and, hence, framework affinity to the analytes. However, the optical response of PCs is critically influenced by the overall PC architecture, leading to batch-to-batch variations, thus rendering unequivocal analyte assignment challenging. To circumvent these problems, we have developed a straightforward and mild "post-assembly" modification strategy to impart differences in chemical selectivity to the MOF layers whilst keeping the overall PC backbone constant. To this end, one-dimensional photonic crystal (1D PC) sensors based on CAU-1 and TiO<sub>2</sub> layers were fabricated to obtain a generic platform for post-assembly modification, targeting either the secondary building unit (SBU) or the linker unit of the as-assembled MOF nanoparticle layers. The optical response to solvent vapor exposure was investigated with the pristine CAU-1 based sensor as well as its modifications, showing enhanced analyte selectivity for the post-modified systems. Analyte ; Selectivity ; Materials science ; Photonic crystal ; Surface modification ; Nanotechnology ; Photonics ; Optoelectronics ; Metal ; Chemical engineering ; Chemistry ; Chromatography ; Organic chemistry ; Engineering ; Catalysis ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Molecular Sensors and Ion Detection ; Advanced Nanomaterials in Catalysis
Authors: Kerstin Kämpf | Sergei A. Izmailov | Sevastyan O. Rabdano | Adam T. Groves | Ivan S. Podkorytov | Nikolai R. Skrynnikov
Source: Biophysical Journal (article, 2018-11-20)
Field: Chemistry — Spectroscopy

What Drives 15N Spin Relaxation in Disordered Proteins? Combined NMR/MD Study of the H4 Histone Tail Relaxation (psychology) ; Histone ; Chemistry ; Nuclear magnetic resonance ; Crystallography ; Chemical physics ; Biophysics ; Physics ; Biology ; Biochemistry ; Neuroscience ; DNA Advanced NMR Techniques and Applications ; Protein Structure and Dynamics ; Enzyme Structure and Function
Authors: Xuejing Wang | Jie Jian | Zhiguang Zhou | Cuncai Fan | Yaomin Dai | Leigang Li | Jijie Huang | Jianing Sun | Andrea Donohue | Peter Bermel | X. Zhang | Hou‐Tong Chen | Haiyan Wang
Source: Advanced Optical Materials (article, 2018-12-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Self‐Assembled Ag–TiN Hybrid Plasmonic Metamaterial: Tailorable Tilted Nanopillar and Optical Properties Abstract Key challenges limiting the adoption of metallic plasmonic nanostructures for practical devices include structural stability and the ease of large‐scale fabrication. Overcoming these issues may require novel metamaterial fabrication with potentials for improved durability under extreme conditions. Here, a self‐assembled growth of a hybrid plasmonic metamaterial in thin‐film form is reported, with epitaxial Ag nanopillars embedded in TiN, a mechanically strong and chemically inert matrix. One of the key achievements lies in the successful control of the tilt angle of the Ag nanopillars (from 0° to 50°), which is attributed to the interplay between the growth kinetics and thermodynamics during deposition. Such an anisotropic nature offered by the tilted Ag nanopillars in TiN matrix is crucial for achieving broadband, asymmetric optical selectivity. Optical spectra coupled with numerical simulations demonstrate strong plasmonic resonance, as well as angular selectivity in a broad UV–vis to near‐infrared regime. The nanostructured metamaterials in this work, which consist of highly conductive metallic nanopillars in a durable nitride matrix, have the potential to serve as a novel hybrid material platform for highly tailorable nanoscale metamaterial designs, suitable for high temperature optical applications. Nanopillar ; Materials science ; Metamaterial ; Plasmon ; Nanotechnology ; Nanophotonics ; Fabrication ; Optoelectronics ; Nanostructure ; Tin Metamaterials and Metasurfaces Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research
Authors: Junqi Tang | Xuewen Fu | Quanhong Ou | Kunpeng Gao | Shiqing Man | Jie Guo | Yingkai Liu
Source: Materials Science and Engineering C (article, 2018-08-21)
Field: Materials Science — Materials Chemistry

Hydroxide assisted synthesis of monodisperse and biocompatible gold nanoparticles with dextran Materials science ; Fourier transform infrared spectroscopy ; Colloidal gold ; Dispersity ; Nanoparticle ; Selected area diffraction ; Biocompatibility ; Transmission electron microscopy ; Dextran ; Nuclear chemistry ; Surface plasmon resonance ; Spectroscopy ; Chemical engineering ; Nanotechnology ; Organic chemistry ; Polymer chemistry ; Chemistry Nanoparticles: synthesis and applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticle-Based Drug Delivery
Authors: Rajesh Jha | Nirupam Chakraborti | David R. Diercks | Aaron P. Stebner | Cristian V. Ciobanu
Source: Computational Materials Science (article, 2018-04-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Combined machine learning and CALPHAD approach for discovering processing-structure relationships in soft magnetic alloys CALPHAD ; Annealing (glass) ; Volume fraction ; Nucleation ; Materials science ; Simulated annealing ; Thermodynamics ; Algorithm ; Computer science ; Statistical physics ; Phase diagram ; Chemistry ; Phase (matter) ; Physics ; Metallurgy Magnetic Properties and Applications ; Microstructure and mechanical properties ; Aluminum Alloy Microstructure Properties
Authors: Daniel P. Zaleski | Kirill Prozument
Source: The Journal of Chemical Physics (article, 2018-09-13)
Field: Chemistry — Spectroscopy

Automated assignment of rotational spectra using artificial neural networks A typical broadband rotational spectrum may contain several thousand observable transitions, spanning many species. While these spectra often encode troves of chemical information, identifying and assigning the individual spectra can be challenging. Traditional approaches typically involve visually identifying a pattern. A more modern approach is to apply an automated fitting routine. In this approach, combinations of 3 transitions are searched by trial and error, to fit the <i>A</i>, <i>B</i>, and <i>C</i> rotational constants in a Watson-type Hamiltonian. In this work, we develop an alternative approach-to utilize machine learning to train a computer to recognize the patterns inherent in rotational spectra. Broadband high-resolution rotational spectra are perhaps uniquely suited for pattern recognition, assignment, and species identification using machine learning. Repeating patterns of transition frequencies and intensities are now routinely recorded in broadband chirped-pulse Fourier transform microwave experiments in which both the number of resolution elements and the dynamic range surpass 10<sup>4</sup>. At the same time, these high-resolution spectra are extremely sensitive to molecular geometry with each polar species having a unique rotational spectrum. Here we train the feed forward neural network on thousands of rotational spectra that we calculate, using the rules of quantum mechanics, from randomly generated sets of rotational constants and other Hamiltonian parameters. Reasonable physical constraints are applied to these parameter sets, yet they need not belong to existing species. A trained neural network presented with a spectrum identifies its type (e.g., linear molecule, symmetric top, or asymmetric top) and infers the corresponding Hamiltonian parameters (rotational constants, distortion, and hyperfine constants). The classification and prediction times, about 160 <i>µ</i>s and 50 <i>µ</i>s, respectively, seem independent of the spectral complexity or the number of molecular parameters. We describe how the network works, provide benchmarking results, and discuss future directions. Hamiltonian (control theory) ; Spectral line ; Computer science ; Artificial neural network ; Quantum number ; Rotational invariance ; Artificial intelligence ; Physics ; Algorithm ; Mathematics ; Atomic physics ; Quantum mechanics Molecular Spectroscopy and Structure ; Spectroscopy and Laser Applications ; Molecular spectroscopy and chirality
Authors: Jia Qiu | Kun Wang | Zhouyang Lian | Xing Yang | Wenhui Huang | Anjun Qin | Qian Wang | Jie Tian | Ben Zhong Tang | Shuixing Zhang
Source: Chemical Communications (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

Prediction and understanding of AIE effect by quantum mechanics-aided machine-learning algorithm Significant effort has been devoted to the research of aggregation-induced emission (AIE); however, the discovery of new AIE materials is driven mainly by laborious trial-and-error. In this study, taking triphenylamine (TPA)-based luminophores as an example, we propose an efficient machine-learning scheme for predicting AIE-activity based on quantum mechanics. Computer science ; Triphenylamine ; Aggregation-induced emission ; Quantum chemical ; Scheme (mathematics) ; Quantum ; Algorithm ; Machine learning ; Artificial intelligence ; Chemistry ; Mathematics ; Quantum mechanics ; Physics ; Molecule ; Photochemistry Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Nanoplatforms for cancer theranostics
Authors: Mohammad Mahdi Abolhasani | Kamyar Shirvanimoghaddam | Hamid Khayyam | Seyed Masoud Moosavi | Nima Zohdi | Minoo Naebe
Source: Polymer Testing (article, 2018-01-17)
Field: Materials Science — Biomaterials

Towards predicting the piezoelectricity and physiochemical properties of the electrospun P(VDF-TrFE) nanogenrators using an artificial neural network Materials science ; Piezoelectricity ; Electrospinning ; Artificial neural network ; Composite material ; Polymer ; Morphology (biology) ; Process (computing) ; Nanofiber ; Biological system ; Machine learning ; Computer science Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Suparna Bhattacharyya | Priya Banerjee | Sandipan Bhattacharya | Rishi Karan Singh Rathour | Subrata Kumar Majumder | Papita Das | Siddhartha Datta
Source: Desalination and Water Treatment (article, 2018-11-01)
Field: Chemistry — Organic Chemistry

Comparative assessment on the removal of ranitidine and prednisolone present in solution using graphene oxide (GO) nanoplatelets Adsorption ; Freundlich equation ; Graphene ; Fourier transform infrared spectroscopy ; Materials science ; Chemical engineering ; Langmuir ; Oxide ; Sorption ; Raman spectroscopy ; Scanning electron microscope ; Aqueous solution ; Nuclear chemistry ; Chemistry ; Nanotechnology ; Organic chemistry ; Composite material ; Metallurgy Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Pharmaceutical and Antibiotic Environmental Impacts