jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Neda Mashhadi
Source: Scholarship at UWindsor (University of Windsor) (article, 2019-01-01)
Field: Chemistry — Organic Chemistry

Oxidative Polymerization of Heterocyclic Aromatics Using Soybean Peroxidase for Treatment of Wastewater Along with other contaminants, heterocyclic aromatic compounds have found their way to our water sources in concentrations up to tens of µg/L. Contrary to their carbon counterparts, there is a gap of information regarding nitrogen, sulfur and oxygen heterocyclic aromatic contaminants. This information gap also extends to the feasibility of enzymatic treatment of such compounds. In this dissertation, a survey of various heterocyclic aromatic families has been conducted to explore the possibility of removing them from synthetic wastewater by the oxidative polymerization action of soybean peroxidase enzyme. The experiments were designed for ≥ 95% removal of the target compound as the most important parameters pH, enzyme activity, peroxide concentration and reaction time were optimized. In most cases, 85-90% removal efficiency was achieved under the studied conditions. In some cases, the cost of enzyme and peroxide used was considered in determining the optimal treatment conditions. Mass spectral (MS) analysis was conducted on the supernatant and precipitate of the reaction under optimal conditions for preliminary identification of reaction products. Plausible structures were assigned to related empirical formulae derived from MS analysis. Lastly, computational tools were applied to investigate the most favored polymerization positions on the substrates and were compared to structurally related non-substrates. Furthermore, using computational studies, ionization energies and standard reduction potentials of all substrates and some non-substrates were calculated and ranked to investigate a possible trend in SBP specificity based on these two factors. Polymerization ; Chemistry ; Peroxidase ; Wastewater ; Oxidative phosphorylation ; Sewage treatment ; Pulp and paper industry ; Organic chemistry ; Environmental science ; Biochemistry ; Polymer ; Enzyme ; Environmental engineering Nanomaterials for catalytic reactions ; Enzyme-mediated dye degradation ; Photochromic and Fluorescence Chemistry
Authors: Yonghui Wang
Source: cIRcle (University of British Columbia) (article, 2019-01-01)
Field: Chemistry — Organic Chemistry

Synthesis and self-assembly of bottlebrush diblock copolymers Bottlebrush copolymers have shown promise as building blocks for self-assembled nanomaterials due to their reduced chain entanglement relative to linear polymers and their ability to self-assemble with remarkably low critical micelle concentrations (CMCs). Concurrently, the preparation of bottlebrush polymers from organic electronic materials has recently been described, allowing multiple optoelectronic functions to be incorporated along the length of single bottlebrush strands. Here we successfully synthesized well-defined bottlebrush diblock copolymers containing soluble n-butyl acrylate blocks and carbazole-based organic semiconductors with control over the backbone length ratio. Then the successful incorporation of highly fluorescent dye molecules into the BBCP was achieved by using the CzBA polymer as an organic semiconductor host to facilitate energy transfer. We also describe the self-assembly of these molecular bottlebrushes, which self-assemble in selective solvent to give spherical micelles with CMCs below 54 nM. These narrowly dispersed structures were stable in solution at high dilution over periods of months, and could further be functionalized with fluorescent dyes to give micelles with quantum yields of unity. These results demonstrate that bottlebrush-based nanostructures can be formed from organic semiconductor building blocks, opening the door to the preparation of fluorescent or redox-active micelles from giant polymeric surfactants. Copolymer ; Assembly line ; Self-assembly ; Polymer science ; Materials science ; Polymer chemistry ; Polymer ; Nanotechnology ; Engineering ; Composite material Advanced Polymer Synthesis and Characterization
Authors: Zhengwei Zhang
Source: Journal of Drug Delivery and Therapeutics (article, 2019-02-15)
Field: Materials Science — Biomaterials

The Effectiveness of Combined Drug Delivery Systems Treatment of tumors with nanoparticles and combined drugs tend to turn effective as it can sustain for a longer time in the recipient’s body and also improve the impact. The conjugates that have proven to have high cytotoxicity are suggested in this report. Pegylation is an advanced drug delivery system that maximizes the immunity of the patient and helps in the correct targeting of the affected cells.&#x0D; Keywords: Tumors, Nanoparticles, Drug targeting PEGylation ; Drug delivery ; Drug ; Cytotoxicity ; Targeted drug delivery ; Pharmacology ; Medicine ; Chemistry ; Nanotechnology ; Polyethylene glycol ; Materials science ; In vitro ; Biochemistry Nanoparticle-Based Drug Delivery ; Cancer Research and Treatment
Authors: Flavio Dormont
Source: SPIRE - Sciences Po Institutional REpository (preprint, 2019-11-15)
Field: Chemistry — Organic Chemistry

Développement de nanomédicaments pour les troubles inflammatoires : évaluation de l’effet protecteur dans des modèles précliniques Advances in drug delivery have led to the development of many tools that help tailor the drug delivery strategy. In particular, “nanomedicines” have made it possible to obtain numerous innovations in oncology and diagnostic technology. By improving drug targeting and protecting the pharmaceutical agent from early metabolism, nanomedicines improve the therapeutic index of certain molecules, resulting in improved patient prognosis. However, with these promises come notable limitations, such as the low drug loading rate of certain nanoformulations, complicated industrial development or poor release control. Squalene-based nanoparticles have been developed to meet these limitations. Another advantage of squalene-based nanoparticles is that they make it possible to encapsulate several therapeutic agents within the same system, thus allowing multi-drug treatments.This is an important tool in the context of an excessive inflammatory response, where many factors often converge to advance the disease. Therefore, one of the objectives of this thesis was to develop and test on preclinical models of inflammation, squalene-based nanoparticles encapsulating two therapeutic agents: adenosine, as an endogenous mediator of inflammatory responses and an antioxidant as an inhibitor of oxidative stress. Our hypothesis is that a multi-drug therapy could be advantageous to counter the many pathogenic processes which reinforce each other during inflammatory responses, but also that a formulation in the form of nanoparticles could provide interesting targeting properties. During the work of this thesis, we also have the feasibility of industrial translation of the synthesis of squalene-based bioconjugates. Context (archaeology) ; Drug ; Squalene ; Drug delivery ; Nanomedicine ; Pharmacology ; Medicine ; Drug development ; Nanotechnology ; Chemistry ; Biology ; Nanoparticle ; Materials science Click Chemistry and Applications ; Computational Drug Discovery Methods ; Nuclear Receptors and Signaling
Authors: Mikhail Slesarev | Artur A. Kovrigin
Source: E3S Web of Conferences (article, 2019-01-01)
Field: Materials Science — Materials Chemistry

Model of bifurcation prediction and innovation sustainability of energy facilities Innovative technological order is predicted, defined by “mechatronics” - an integrating structure for power engineering, mechanics, and artificial intelligence, which together with “green” technologies of production, accumulation, transformation and transmission of information, energy and materials, generate smart houses, smart cities, smart energy objects. A model is proposed for predicting bifurcations and innovative sustainability of energy facilities with an acceptable reliability of research provided by the mathematical apparatus of motion stability. Sustainability ; Mechatronics ; Reliability (semiconductor) ; Production (economics) ; Stability (learning theory) ; Transformation (genetics) ; Bifurcation ; Computer science ; Industrial engineering ; Energy (signal processing) ; Engineering ; Power (physics) ; Manufacturing engineering ; Artificial intelligence ; Mathematics ; Nonlinear system ; Physics ; Economics ; Machine learning Structural mechanics and materials ; Environmental and Industrial Safety ; Heat Transfer and Mathematical Modeling
Authors: Baicheng Weng | Zhilong Song | Rilong Zhu | Qingyu Yan | Qingde Sun | Corey G. Grice | Yanfa Yan | Wan‐Jian Yin
Source: arXiv (Cornell University) (preprint, 2019-08-19)
Field: Materials Science — Materials Chemistry

Symbolic Regression Discovery of New Perovskite Catalysts with High\n Oxygen Evolution Reaction Activity Symbolic regression (SR) is an emerging method for building analytical\nformulas to find models that best fit data sets. Here, SR was used to guide the\ndesign of new oxide perovskite catalysts with improved oxygen evolution\nreaction (OER) activities. An unprecedentedly simple descriptor, {\\mu}/t, where\n{\\mu} and t are the octahedral and tolerance factors, respectively, was\nidentified, which accelerated the discovery of a series of new oxide perovskite\ncatalysts with improved OER activity. We successfully synthesized five new\noxide perovskites and characterized their OER activities. Remarkably, four of\nthem, Cs0.4La0.6Mn0.25Co0.75O3, Cs0.3La0.7NiO3, SrNi0.75Co0.25O3, and\nSr0.25Ba0.75NiO3, outperform the current state-of-the-art oxide perovskite\ncatalyst, Ba0.5Sr0.5Co0.8Fe0.2O3 (BSCF). Our results demonstrate the potential\nof SR for accelerating data-driven design and discovery of new materials with\nimproved properties.\n Perovskite (structure) ; Catalysis ; Oxygen evolution ; Oxide ; Octahedron ; Oxygen ; Materials science ; Regression ; Computer science ; Chemical engineering ; Chemistry ; Physical chemistry ; Crystallography ; Metallurgy ; Mathematics ; Statistics ; Crystal structure ; Engineering Machine Learning in Materials Science ; Electrocatalysts for Energy Conversion ; Machine Learning and ELM
Authors: Noha M. Sorour | Asmaa Elnady | Rateb Abbas
Source: Research Journal of Applied Biotechnology (article, 2019-12-31)
Field: Materials Science — Materials Chemistry

Green Synthesis of Silver Nanoparticles for Its Usage as an Antimicrobial Agent Silver nanoparticles (AgNPs) were biosynthesized using aqueous extract of Citrus japonica (Kumquat) and Candida tropicalis culture supernatant. AgNPs were characterized using FTIR, UV-Vis, TEM, XRD, DLS, and EDAX. XRD confirmed the crystalline nature with four characteristic peaks at 2Ɵ values corresponding to Ag-nanocrystals. TEM showed spherical-shaped AgNPs with average diameter of 4-20 nm. FTIR verified the presence of different bio-functional groups, such as, N-H, C-N, O-H, C-H, C-O-C, C=O, and C-NH2 acting as stabilizing/reducing agents for AgNPs. The biosynthesized AgNPs exhibited excellent biocidal activity against some pathogenic Gram-positive, Gram-negative bacteria, and Yeast. MIC and MBC of biosynthesized AgNPs were determined using resazurin microtiter-plate assay. Biosynthesized AgNPs by C. tropicalis exhibited MBC of 12, 24,24, and 48 μg/mL against E. coli, Candida sp., K. pneumonia, and L. monocytogenes, respectively. The MBC of Kumquat-AgNPs were 48 μg/mL against (E. coli, K. pneumonia, Candida sp.), and 195 μg/mL against L. monocytogenes. SEM micrographs showed complete cell destruction of K. pneumonia and L. monocytogenes after 6hof treatment with MBC values. C. tropicalis-AgNPs exhibited better anticancer effect than Kumquat-AgNPs with IC50 of 59.5 and 87.5 μg/mL, respectively, on Hep-G2cell lines. However, Kumquat-AgNPs proved less toxic than C. tropicalis-AgNPs towards normal cell lines with IC50 values<300 and 69.9 μg/mL, on Human Skin Fibroblast, and 68.41 and 28.43 μg/mL, on Blood Lymphocytes, respectively. Detected IC50were higher than the MBC values of biosynthesized AgNPs against studied pathogens, thus, could be recommended to apply the mas powerful antimicrobial bioagent. Antimicrobial ; Silver nanoparticle ; Nanoparticle ; Nanotechnology ; Chemistry ; Materials science ; Organic chemistry Nanoparticles: synthesis and applications
Authors: Ho Kun Woo | Junhyuk Ahn | Soong Ju Oh
Source: Ceramist (article, 2019-03-29)
Field: Chemistry — Organic Chemistry

Nanoparticle based Wearable Sensor Recently, wearable sensors have received considerable attention in a variety of research fields and industries as the importance of wearable healthcare systems, soft robotics and bio-integrated devices increased. However, expensive and complex processes are hindering the commercialization of wearable sensors. Nanoparticle presents some of solutions to these problems as its adjustable for processability and tunable properties. In this paper, the recent development of nanoparticle based pressure and strain sensors was reviewed, and a discussion on their strategies to overcome the conventional limitation and operating principles is presented. Wearable computer ; Computer science ; Wearable technology ; Nanotechnology ; Materials science ; Embedded system Polydiacetylene-based materials and applications ; Gas Sensing Nanomaterials and Sensors
Authors: Benjamin R. Betzler | Brian Ade | Aaron Wysocki | Michael S. Greenwood | Jesse Heineman | Phillip Chesser | Prashant Kumar Jain | F. Heidet | Aurélien Bergeron
Source:  (article, 2019-08-16)
Field: Materials Science — Materials Chemistry

Advanced Manufacturing for Nuclear Core Design Advanced manufacturing technologies are fundamentally altering the way components are designed and manufactured. The potential application space for these technologies within the nuclear industry is broad, with the most benefit realized from the ability to approach the nuclear core design problem from an advanced manufacturing perspective. One of the objectives of the US Department of Energy Office of Nuclear Energy (DOE-NE) Transformational Challenge Reactor (TCR) design and analysis activities is to demonstrate this approach. A mitigation of conventional constraints realized through advanced manufacturing methods opens up the design space, enabling a departure from typical axially uniform pin- and plate-type geometries common to operating nuclear reactors worldwide. The ability to use more heterogenous spatial and material flexibilities increases the demand on the predictability of higher fidelity modeling and simulation tools to be used in the design, analysis, and optimization processes. Leading candidate advanced manufacturing technologies for nuclear applications are additive methods that provide for high dimensional control and incorporation of small design features such as powder bed fusion, laser directed energy deposition, and binder jetting. Potential applications to core design identified during DOE-NE TCR design and analysis activities fall into two categories: those that are uniquely enabled by additive manufacturing technologies and those that are enabled by the characteristics (e.g., repeatability and instrumentation) inherent to these technologies. Identified applications include reducing in-core parasitic materials, improving heat conduction across fuel-cladding gaps, optimizing thermal hydraulic design with flexible coolant flow geometries, reducing uncertainties in manufactured components, optimizing core conditions with design heterogeneities, designing feedback mechanisms using material characteristics, and embedding burnable poisons. These potential applications join a host of nuclear industry advanced manufacturing activities to recapture manufacturing capabilities, reduce manufacturing costs and complexities, reduce deployment time, and enable performance and operational enhancements. Core (optical fiber) ; Computer science ; Telecommunications Graphite, nuclear technology, radiation studies ; Nuclear and radioactivity studies
Authors: Achiruddin
Source: Journal of Technomaterials Physics (article, 2019-08-31)
Field: Materials Science — Polymers and Plastics

The Fabrication of Roof Tiles Utilizing Palm Oil Boiler Ash and Used Rubber Thread Fibers Waste Polymer composite roof tiles are produced from palm oil boiler ash and used rubber thread fibers waste. The material was strengthened by asphalt through a molding and pressurized conventional technique of sand, palm oil boiler ash waste, rubber thread fibers waste, asphalt and epoxy resin mixture. The composition of boiler ash and rubber thread fibers varied of 20% : 0%, 18% : 2%, 16% : 4%, 14% : 6%, 12% : 8%, 10% : 10%. The results were tested for physical (density and water absorption), mechanical (compressive, impact and tensile strength) and thermal (Differential Thermal Analysis) properties. The characterization shows that the optimum mixture of sand, ash, thread, asphalt and resin compositions are 55% : 12% : 8% : 10% : 15% respectively, with the highest density of 1.64 gram/cm3, waster absorption value of 1.72%, 77.68 kJ/m2 impact value, 19.373 MPa tensile strength and 360°C for differential thermal analysis temperature. Those results meet the SNI standard for existing roof tiles. This shows that the materials used in the research can be a cheap and environmentally friendly alternative to roof tile raw materials. Materials science ; Ultimate tensile strength ; Absorption of water ; Asphalt ; Composite material ; Compressive strength ; Natural rubber ; Palm oil ; Roof ; Waste management ; Boiler (water heating) ; Environmental science ; Engineering ; Structural engineering Natural Fiber Reinforced Composites ; Recycling and utilization of industrial and municipal waste in materials production ; Material Selection and Properties
Authors: Jong Hun Kim | Sung Joo An | Jong‐Young Lee | Eunji Ji | James Hone | Gwan‐Hyoung Lee
Source: Journal of the Korean Ceramic Society (article, 2019-09-23)
Field: Materials Science — Materials Chemistry

No Tilt Angle Dependence of Grain Boundary on Mechanical Strength of Chemically Deposited Graphene Film Although graphene has been successfully grown in large scale via chemical vapor deposition (CVD), it is still questionable whether the mechanical properties of CVD graphene are equivalent to those of exfoliated graphene. In addition, there has been an issue regarding how the tilt angle of the grain boundary (GB) affects the strength of graphene. We investigate the mechanical properties of CVD graphene with nanoindentation from atomic force microscopy and transmission electron microscopy. Surprisingly, the samples with GB angles of 10 and 26 yielded similar fracture stresses of ~ 80 and ~ 79 GPa, respectively. Even for samples with GB exhibiting a wider range, from 0 to 30, only a slightly wider fracture stress range (~ 50 to ~ 90 GPa) was measured, regardless of tilt angle. The results are contrary to previous studies that have reported that GBs with a larger tilt angle yield stronger graphene film. Such a lack of angle dependence of GB can be attributed to irregular and well-stitched GB structures. Materials science ; Tilt (camera) ; Grain boundary ; Composite material ; Graphene ; Mechanical strength ; Nanotechnology ; Microstructure ; Mechanical engineering Graphene research and applications ; Advanced Sensor and Energy Harvesting Materials ; Graphene and Nanomaterials Applications
Authors: Piyusha S. Gade
Source: D-Scholarship@Pitt (University of Pittsburgh) (article, 2019-09-10)
Field: Materials Science — Biomaterials

Coupled Theoretical and Experimental Methods to Understand Growth and Remodeling of In Situ Engineered Vascular Grafts in Young and Aged Hosts In 1975, Rodbard introduced the concept of mechanical homeostasis; that arteries have an inherent capacity to maintain homeostatic stress states by altering their morphology through a negative feedback mechanism in response to mechanical loads. More recently, this capacity has been leveraged to develop acellular, in situ tissue-engineered vascular grafts (iTEVGs) which promote host growth and remodeling (G&R) to develop new arteries (neoarteries) in the tissue's functional site (in situ). These grafts offer a much-needed option to address the lack of viable autologous conduits, difficulties in scaling traditional tissue engineered grafts, and the rising demand for bypass grafting in an aging population. One such acellular, poly (glycerol sebacate) (PGS) iTEVG developed by Wang et al. has demonstrated in situ mature elastin and collagen formation in young hosts. However, the trial and error nature of graft design, coupled with the lack of knowledge of fundamental mechanisms guiding neoarterial G&R impedes efforts to translate these successes across age and species. In this work, we take a coupled theoretical and experimental approach to understanding salient mechanisms guiding neoartery formation in young and aged hosts. We developed a mathematical model of graft degradation based on in vitro assessment of enzymatic degradation. Next, we translated successful neoartery development from a rat aorta to the substantially smaller, rat carotid artery. We determined that after three-months of remodeling, the neoartery has similar mechanical properties to those of the clinical gold standard, vein graft. We then successfully translated the iTEVG to an aged murine carotid model and assessed differences in mechanical, microstructural, and biological stages of neoarterial G&R in young versus aged hosts over the course of six months. Subsequently, a constrained mixture model-based G&R tool was developed, informed with these experimental data, and used to predict long-term neoarterial G&R response in both age groups. Finally, we identified a common mode of adverse remodeling in neoarteries - rupture and calcification. Motivated by these results, we developed new techniques to analyze calcification in a parallel, model system exhibiting similar modes of adverse remodeling - cerebral aneurysms. These results provide insights for future work developing strategies necessary to optimally design iTEVGs. Elastin ; Population ; Homeostasis ; In situ ; Artery ; Biomedical engineering ; Medicine ; Cell biology ; Biology ; Cardiology ; Chemistry ; Pathology Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Aortic aneurysm repair treatments
Authors: Cheney C.Y. Zhang
Source: Microscopy and Microanalysis (article, 2019-08-01)
Field: Materials Science — Materials Chemistry

Three-Dimensional Rock Microstructure Modeling Using Two-Dimensional SEM Micrographs Microstructure ; Micrograph ; Materials science ; Geology ; Composite material ; Scanning electron microscope Solidification and crystal growth phenomena ; Advanced Mathematical Modeling in Engineering ; Microstructure and mechanical properties