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Ritter, Christopher, Jeren Browning, Peter Suyderhoud, Ross Hays, AnnMarie Marshall, Kevin Han, Taylor Ashbocker, John Darrington, and Lee Nelson. "Versatile Test Reactor Open Digital Engineering Ecosystem." INSIGHT 25, no. 1 (March 2022): 56–60. http://dx.doi.org/10.1002/inst.12374.
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Jarrett, Michael, and Florent Heidet. "ENRICHMENT ZONING STUDY FOR THE VERSATILE TEST REACTOR." EPJ Web of Conferences 247 (2021): 12007. http://dx.doi.org/10.1051/epjconf/202124712007.
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The primary mission of the Versatile Test Reactor (VTR) is to provide peak fast flux in excess of 4.0 x 1015n/cm2-s to support fuel and material testing. To achieve a high fast flux, it is beneficial to maximize the flux peaking in the center of the core. With a single enrichment zone, a highly peaked flux distribution produces a highly peaked power distribution. Coolant inlet orifices can be designed to handle the peaked power distribution but orifice design can be simplified if a more even radial power distribution can be achieved. An approach to reduce the power peaking factor is to use enrichment zoning, which would improve coolant flow homogeneity. Several alternative VTR core configurations are considered with two enrichment zones (15 wt% Pu and 20 wt% Pu). These alternative configurations require more assemblies to maintain reactivity than the reference VTR core, which leads to failure to achieve the design criterion for experimental fast flux with the target core power. Configurations using 20 wt% Pu with different fuel assembly designs having smaller and larger fuel volume fractions are also analyzed. The case having a larger fuel volume fraction reduces the number of fuel assemblies required for criticality, which keeps the experimental flux higher. Configurations with volume fraction zoning can slightly decrease the peaking factor while maintaining the desired fast flux, although some thermal hydraulic limits may not be satisfied. Volume fraction zoning configurations may offer benefits, but determining the feasibility of these configurations requires further thermal hydraulic design and analysis work beyond the scope of the present work.
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Heidet, F., and J. Roglans-Ribas. "CORE DESIGN ACTIVITIES OF THE VERSATILE TEST REACTOR – CONCEPTUAL PHASE." EPJ Web of Conferences 247 (2021): 01010. http://dx.doi.org/10.1051/epjconf/202124701010.
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The Versatile Test Reactor (VTR) is a new fast spectrum test reactor being developed in the United States under the direction of the US Department of Energy, Office of Nuclear Energy. The VTR mission is to enable accelerated testing of advanced reactor fuels and materials required for advanced reactor technologies. This includes neutron irradiation capabilities which would support alternate coolants including molten salt, lead/lead-bismuth eutectic mixture, gas, and sodium. The VTR aims at addressing most of the needs of the various stakeholders, which is primarily composed of advanced reactor technologists, developers and vendors, as well as a number of others interested parties. Design activities are underway targeting a first criticality date by 2026, with General Electric recently joining the project to contribute to the VTR plant design. Current efforts are focused on all aspects of the VTR design, with the core design being at the center of the initial steps. The VTR is currently proposed as a 300 MWth sodium-cooled fast reactor able to reach peak fast flux levels in excess of 4.0x1015 n/cm2-s (and total flux level of about 6.0x1015 n/cm2-s). In this configuration, it is using ternary metallic fuel with reactor-grade plutonium and 5% low-enriched uranium.
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Kouhia, Virpi, Heikki Purhonen, Vesa Riikonen, Markku Puustinen, Riitta Kyrki-Rajamäki, and Juhani Vihavainen. "PACTEL and PWR PACTEL Test Facilities for Versatile LWR Applications." Science and Technology of Nuclear Installations 2012 (2012): 1–8. http://dx.doi.org/10.1155/2012/548513.
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This paper describes construction and experimental research activities with two test facilities, PACTEL and PWR PACTEL. The PACTEL facility, comprising of reactor pressure vessel parts, three loops with horizontal steam generators, a pressurizer, and emergency core cooling systems, was designed to model the thermal-hydraulic behaviour of VVER-440-type reactors. The facility has been utilized in miscellaneous applications and experiments, for example, in the OECD International Standard Problem ISP-33. PACTEL has been upgraded and modified on a case-by-case basis. The latest facility configuration, the PWR PACTEL facility, was constructed for research activities associated with the EPR-type reactor. A significant design basis is to utilize certain parts of PACTEL, and at the same time, to focus on a proper construction of two new loops and vertical steam generators with an extensive instrumentation. The PWR PACTEL benchmark exercise was launched in 2010 with a small break loss-of-coolant accident test as the chosen transient. Both facilities, PACTEL and PWR PACTEL, are maintained fully operational side by side.
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Choi, Hangbok, Robert W. Schleicher, Kirill Shapovalov, Chris Ellis, and John Bolin. "Feasibility study of a gas cartridge loop for the versatile test reactor." Nuclear Engineering and Design 377 (June 2021): 111111. http://dx.doi.org/10.1016/j.nucengdes.2021.111111.
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Rivas, Andy, Nicolas P. Martin, Samuel E. Bays, Giuseppe Palmiotti, Zhiwen Xu, and Jason Hou. "Nuclear data uncertainty propagation applied to the versatile test reactor conceptual design." Nuclear Engineering and Design 392 (June 2022): 111744. http://dx.doi.org/10.1016/j.nucengdes.2022.111744.
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Choi, Hangbok, Long V. Nguyen, Mohammad Alavi, Jonathan Lowe, Albert James, John Bolin, Chun Fu, and Chris Ellis. "Conceptual design of gas cartridge loop components for the Versatile Test Reactor." Nuclear Engineering and Design 389 (April 2022): 111696. http://dx.doi.org/10.1016/j.nucengdes.2022.111696.
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Martin, Nicolas, Ryan Stewart, and Sam Bays. "A multiphysics model of the versatile test reactor based on the MOOSE framework." Annals of Nuclear Energy 172 (July 2022): 109066. http://dx.doi.org/10.1016/j.anucene.2022.109066.
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Simpson, Michael. "Review of Redox Potential Control Options for Molten Salt Reactors." ECS Meeting Abstracts MA2022-02, no. 12 (October 9, 2022): 753. http://dx.doi.org/10.1149/ma2022-0212753mtgabs.
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Redox potential control is a fundamental requirement to minimize corrosion of metals in neutron irradiated molten salts, including fission reactor fuel, fission reactor coolant, and fusion reactor blanket. In this presentation, the focus will be placed upon metallic redox buffers—including beryllium, zirconium, and lithium. The study of beryllium for this function spans several decades and includes use in the Molten Salt Reactor Experiment (MSRE) in addition to proposed use in a fusion blanket. A fascinating aspect of this subject is the phase behavior of the metallic redox buffer. Evidence has been published that some of the metals—including beryllium and lithium actually dissolve into their host salts in the zero oxidation state. This provides the capability for a fast, homogenous reaction sans mass transfer limits. But redox buffering has also been reported from the reaction of molten salt with zirconium metal rods. It is proposed that these reactions can be categorized as either short range (homogenous) or long range (electrochemical cell) electronically mediated reactions. Data on metal solubility, electrochemical measurements, and corrosion control will be presented from the MSRE to very recent work in support of the Versatile Test Reactor. Open questions will be posed with the intention of encouraging the audience to propose new theories and experiments to test those theories.
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Goetz, K. C., S. M. Cetiner, and C. Celik. "Development of a Fast-Spectrum Self-Powered Neutron Detector for Molten Salt Experiments in the Versatile Test Reactor." EPJ Web of Conferences 253 (2021): 05006. http://dx.doi.org/10.1051/epjconf/202125305006.
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The self-powered neutron detector (SPND) is a widely used flux monitor in thermal nuclear reactors. Although this is a mature technology, the current state of the art is tuned for a thermal neutron spectrum, so many of the devices currently in use lack sensitivity to fast neutrons. Because current in SPNDs is produced through nuclear reactions with the neutron flux inside a reactor, sensitivity in SPNDs is determined by the neutron cross section of the neutron-sensitive portion of the detector, termed the emitter. This neutron cross section drops by orders of magnitude between thermal and fast neutron energies for many emitters in currently used SPNDs, with a corresponding drop in current from the detector. This paper discusses efforts to develop a fast-spectrum self-powered neutron detector (FS-SPND) that is sensitive to neutrons with energies ranging from 0.025 eV up to 1 MeV. An in-depth analysis of Evaluated Nuclear Data File (ENDF)/B-VII.1 neutron-capture cross sections was performed, and four new materials were identified that are suitable emitter candidates for use in measuring fast neutrons. All four materials are stable mid-shell nuclei in the region between doubly magic 132Sn and 208Pb. Each candidate was simulated with the Geant4 Monte Carlo simulation toolkit to optimize overall detector efficiency.
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Hatch, Cory. "Building with Digital Tools." Mechanical Engineering 142, no. 10 (October 1, 2020): 32–37. http://dx.doi.org/10.1115/1.2020-oct2.
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Abstract Researchers at Idaho National Laboratory have adapted digital engineering technology to help build the Department of Energy’s proposed Versatile Test Reactor (VTR). It is expected that developing VTR via digital engineering will significantly reduce risk by organizing all the project’s data and models in a centralized, interactive system that guides the complex project from inception, through design and construction, and into operations.
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Walker, Samuel A., Abdalla Abou-Jaoude, Zack Taylor, Robert K. Salko, and Wei Ji. "Coupled Thermal-Hydraulic Analysis and Species Mass Transport in a Versatile Experimental Salt Irradiation Loop (VESIL) Using CTF." Journal of Nuclear Engineering 2, no. 3 (August 24, 2021): 309–17. http://dx.doi.org/10.3390/jne2030025.
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With the resurgence of interest in molten salt reactors, there is a need for new experiments and modeling capabilities to characterize the unique phenomena present in this fluid fuel system. A Versatile Experimental Salt Irradiation Loop (VESIL) is currently under investigation at Idaho National Laboratory to be placed in the Advanced Test Reactor (ATR). One of the key phenomena this proposed experiment plans to elucidate is fission product speciation in the fuel-salt and the subsequent effects this has on the fuel-salt properties, source term generation, and corrosion control. Specifically, noble gases (Xe & Kr) will bubble out to a plenum or off-gas system, and noble metals (Mo, Tc, Te, etc.) will precipitate and deposit in specific zones in the loop. This work extends the mass transfer and species interaction models in CTF (Coolant-Boiling in Rod Arrays—Two Fluids) and applies these models to give a preliminary estimation of fission product behavior in the proposed VESIL design. A noble metal–helium bubble mass transfer model is coupled with the thermal-hydraulic results from CTF to determine the effectiveness of this insoluble fission product (IFP) extraction method for VESIL. Amounts of IFP species extracted to the off-gas system and species distributions in VESIL after a 60-day ATR cycle are reported.
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Longston, Lee. "Electrically Charged." Mechanical Engineering 124, no. 06 (June 1, 2002): 50–52. http://dx.doi.org/10.1115/1.2002-jun-3.
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This article focuses on gas turbines that were produced in 2001 spanning a wide range of capacities. As the engineer's most versatile energy converters, gas turbines producing thrust power continued in 2001 to propel most of the world's aircraft, both military and commercial. The largest commercial jet engines today can produce as much as 120,000 pounds thrust, or some 534,000 Newton. More natural gas pipeline capacity will be added to feed the surge in gas-driven electric power plants that have been corning online in the United States and other parts of the world. The gas turbine may come to be used in a new, commercially promising closed-cycle configuration. A South African company has been working on plans to build and test a prototype of a closed-cycle electric power gas turbine, which uses helium gas as the working fluid and a helium-cooled nuclear reactor to provide heat to power the cycle. If the gas turbine-nuclear reactor power plant is successful, the gas turbine may be the key to yet another energy conversion device, as it has been with record-setting numbers of combined-cycle plants installed worldwide.
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Brenneman, B., and M. K. Au-Yang. "Fluid-Structure Dynamics With a Modal Hybrid Method." Journal of Pressure Vessel Technology 114, no. 2 (May 1, 1992): 133–38. http://dx.doi.org/10.1115/1.2929020.
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Large structures in nuclear power plants are often separated by very thin fluid-filled cavities. For example, core support structures, thermal shields, and reactor vessels are usually large concentric cylindrical shells with annuli between them as small as 2 percent of the shell diameter. Such thin cavities cause the structures to be very strongly coupled, and such coupling must be accurately modeled to predict the dynamic responses of new designs to turbulence, pump acoustic loading, loss-of-coolant accidents, and seismic events. This paper summarizes a very versatile and efficient method of solving these problems with small personal computers. Among other things, this method uses component modal synthesis with the hybrid approach, and the solution of the resulting unsymmetric eigenvalue problem for the coupled vibration modes. System responses are then found in terms of “right” and “left” eigenvectors. Comparisons with test results are also presented.
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Jarrett, Michael, and Florent Heidet. "AUTOMATED FUEL MANAGEMENT OPTIMIZATION FOR FAST REACTORS." EPJ Web of Conferences 247 (2021): 12006. http://dx.doi.org/10.1051/epjconf/202124712006.
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The Versatile Test Reactor (VTR) is expected to operate in a persistent non-equilibrium state due to inter-cycle variations in experimental loading. The goal of planning and optimizing the fuel loading for this mode of operation can differ from equilibrium cycle optimization. In this work, a general algorithm for optimizing a core reload of a fast reactor with respect to some objective function is developed. The objective function used in this work is a preliminary model that is defined to capture most of the core parameters expected to be of interest, but elements could be added or subtracted as needed for different types of problems. The optimization method is a discrete evolutionary algorithm. Instead of using diffusion or transport to evaluate each potential core configuration that is considered during the execution of the optimization method, the necessary inputs to the objective function (k-effective and assembly power distribution) are evaluated approximately by treating the reloaded configuration as a small change to the previous configuration, for which a diffusion or transport solution has already been calculated. This approximate calculation facilitates evaluation of the objective function for several hundred potential configurations without a neutron transport solution, which would be a significant bottleneck in the optimization method. In the results, the evolutionary algorithm demonstrates good responsiveness to the tuning of the parameters of the objective function.
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Hidayat, Darmawan, Ganjar Nurohman, S. Setianto, Bambang Mukti Wibawa, and Nendi Suhendi. "Uji Kinerja Burner dan Tabung Reaktor Flame Untuk Proses Spray Pyrolysis." Reaktor 17, no. 2 (June 5, 2017): 67. http://dx.doi.org/10.14710/reaktor.17.2.67-73.
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Abstract PERFORMANCE EVALUATION OF BURNER AND THE REACTOR TUBE OF FLAME FOR A SPRAY PYROLYSIS PROCESS. Flame spray pyrolysis is a versatile process in the syntheses of various functional materials. This work reports the performance of a diffusion flame built from a coaxial burner and a Pyrex-glass tube reactor with respect to the relatively low propane flow rates (0.1-0.8 L/min). The burner comprised of three cylindrically tubes with three inlets for fuel (propane), oxidant (oxygen) and precursor aerosol. Three flame parameters were measured, i.e. the flame height, flame temperature and reactor temperature profile, respectively. The test results showed the increase of the flame height and temperature with increasing of propane flow rate. The temperature profile measurements showed the decreasing as the height above burner increased; and temperature profile increased at the increasing propane flow rate. The reactor temperature was in the range of 36-190°C at low propane flow rates of 0.1-0.8 L/min. In conclusion, control of flame process parameters could be conducted by controlling of propane flow rate. Keywords: diffusion flame burner; spray pyrolysis; flame reactor; electronic material syntheses Abstrak Pirolisis flame spray merupakan proses yang banyak digunakan untuk keperluan sintesis bahan-bahan fungsional. Makalah ini melaporkan kinerja sebuah reaktor flame difusi yang dibangun dari sebuah pembakar (burner) dan tabung reaktor silinder. Pembakar dibangun dari tiga buah silinder stainless steel yang dipasang koaksial sebagai saluran bahan bakar propana, oksidator oksigen dan aerosol prekursor. Tiga parameter proses flame yang diuji adalah tinggi flame, temperatur flame dan profil temperatur tabung reaktor. Hasil pengujian menunjukkan bahwa seiring kenaikan laju alir propana, tinggi dan temperatur flame meningkat. Pengukuran profil temperatur menunjukkan penurunan seiring kenaikan posisi dari ujung-atas pembakar; dan temperatur profil reaktor meningkat seiring dengan kenaikan laju alir propana. Temperatur reaktor berkisar 36-190°C pada laju alir propana rendah 0,1-0,8 L/min. Dapat disimpulkan bahwa pengontrolan parameter-parameter proses flame dapat dilakukan dengan pengaturan laju alir propana. Kata kunci: diffusion flame burner; proses spray pyrolysis; reaktor flame; sintesis bahan elektronik
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Olson, Paolo, Adam J. Crewe, Tansu Gokce, Tony Horseman, and Rory E. White. "Development of a Low-Cost 6 DOF Brick Tracking System for Use in Advanced Gas-Cooled Reactor Model Tests." Sensors 22, no. 3 (February 1, 2022): 1110. http://dx.doi.org/10.3390/s22031110.
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This paper presents the design of a low-cost, compact instrumentation system to enable six degree of freedom motion tracking of acetal bricks within an experimental model of a cracked Advanced Gas-Cooled Reactor (AGR) core. The system comprises optical and inertial sensors and capitalises on the advantages offered by data fusion techniques. The optical system tracks LED indicators, allowing a brick to be accurately located even in cluttered images. The LED positions are identified using a geometrical correspondence algorithm, which was optimised to be computationally efficient for shallow movements, and complex camera distortions are corrected using a versatile Incident Ray-Tracking calibration. Then, a Perspective-Ray-based Scaled Orthographic projection with Iteration (PRSOI) algorithm is applied to each LED position to determine the six degree of freedom pose. Results from experiments show that the system achieves a low Root Mean Squared (RMS) error of 0.2296 mm in x, 0.3943 mm in y, and 0.0703 mm in z. Although providing an accurate measurement solution, the optical tracking system has a low sample rate and requires the line of sight to be maintained throughout each test. To increase the robustness, accuracy, and sampling frequency of the system, the optical system can be augmented with an Inertial Measurement Unit (IMU). This paper presents a method to integrate the optical system and IMU data by accurately timestamping data from each set of sensors and aligning the two coordinate axes. Once miniaturised, the developed system will be used to track smaller components within the AGR models that cannot be tracked with current instrumentation, expanding reactor core modelling capabilities.
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Tamura, Atsushi, Asato Tonegawa, Yoshinori Arisaka, and Nobuhiko Yui. "Versatile synthesis of end-reactive polyrotaxanes applicable to fabrication of supramolecular biomaterials." Beilstein Journal of Organic Chemistry 12 (December 28, 2016): 2883–92. http://dx.doi.org/10.3762/bjoc.12.287.
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Cyclodextrin (CD)-threaded polyrotaxanes (PRXs) with reactive functional groups at the terminals of the axle polymers are attractive candidates for the design of supramolecular materials. Herein, we describe a novel and simple synthetic method for end-reactive PRXs using bis(2-amino-3-phenylpropyl) poly(ethylene glycol) (PEG-Ph-NH2) as an axle polymer and commercially available 4-substituted benzoic acids as capping reagents. The terminal 2-amino-3-phenylpropyl groups of PEG-Ph-NH2 block the dethreading of the α-CDs after capping with 4-substituted benzoic acids. By this method, two series of azide group-terminated polyrotaxanes (benzylazide: PRX-Bn-N3, phenylazide: PRX-Ph-N3,) were synthesized for functionalization via click reactions. The PRX-Bn-N3 and PRX-Ph-N3 reacted quickly and efficiently with p-(tert-butyl)phenylacetylene via copper-catalyzed click reactions. Additionally, the terminal azide groups of the PRX-Bn-N3 could be modified with dibenzylcyclooctyne (DBCO)-conjugated fluorescent molecules via a copper-free click reaction; this fluorescently labeled PRX was utilized for intracellular fluorescence imaging. The method of synthesizing end-reactive PRXs described herein is simple and versatile for the design of diverse functional PRXs and can be applied to the fabrication of PRX-based supramolecular biomaterials.
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Auner, N., M. Grasmann, B. Herrschaft, and M. Hummer. "Silaheterocycles 36 (1). Trichlorovinylsilane, lithium-tert-butyl, and 1,3-enynes: A versatile combination for the competitive formation of silacyclobutanes and silacyclobutenes." Canadian Journal of Chemistry 78, no. 11 (November 1, 2000): 1445–58. http://dx.doi.org/10.1139/v99-247.
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Equimolar amounts of trichlorovinylsilane (9), lithium-tert-butyl, and 1,3-enynes were reacted to yield the corresponding isomeric silacyclobutanes and silacyclobutenes competitively. As reaction pathway the mixture 9/tBuLi is discussed to give a silene equivalent, Cl2Si=CHCH2tBu (10), yielding the four-membered ring silacycles by formal [2 + 2] cycloaddition reactions of 10 with the C=C double or the C=C triple bond of the 1,3-enyne. The relative ratio of the products formed depends on the polarity of the multiple bonds in the enyne, which is mainly determined by the substituent pattern. Thus, from the organosubstituted 1,3-enynes R1 C=C-C(R2)=CR3R4 (R1 = Me, Et, SiMe3, Ph; R2 = H, Me, Ph; R3=Me, OMe, Ph; R4=H; and R1C=C-R' (R' = 1-cyclohexenyl, cyclohexanevinylidyne)) and 9/tBuLi the silacyclobutanes 12, 13, and 15 and the silacyclobutenes 14,16-24, and 27 (from 10 and 3-hexyne) are prepared in a one-step synthesis and isolated from the reaction mixtures. The silacyclobutanes and -butenes are thermally stable and can be distilled under vacuo up to temperatures of about 150°C without decomposition. The experimental results are confirmed qualitatively by semiempiric calculations at the AM-1 level and their analysis using FMO theory. The solid state structure of the silacyclobutene 19 (C17H30Cl2Si2) has been determined by single crystal X-ray diffractometry. 19 is orthorhombic, space group P212121, a = 1030.94(2) pm, b = 1244.6(2) pm, c = 1605.5(3) pm, Z = 4.Key words: neopentylsilene, dichloroneopentylsilene, silacyclobutenes, silacyclobutanes, 1,3-enynes.
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Grehn, Leif, and Ulf Ragnarsson. "Synthesis and use of benzyl tert-butyl iminodicarbonate, a versatile reagent for the preparation of amines." Collection of Czechoslovak Chemical Communications 53, no. 11 (1988): 2778–86. http://dx.doi.org/10.1135/cccc19882778.
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An efficient synthesis of benzyl tert-butyl iminodicarbonate (IV), starting from benzoyl isocyanate, is reported. Reaction of the isocyanate with benzyl alcohol gave benzyl N-benzoylcarbamate (II) which on exhaustive tert-butoxycarbonylation via the non-isolated triacyl amine III, after aminolysis, provided the title compound. The sodium salt V was alkylated with various halides under Gabriel conditions to give in high yields the corresponding benzyloxycarbonyl tert-butoxycarbonyl diprotected amines. Similarly, compound IV was alkylated with alcohols under Mitsunobu conditions to give some additional amines of this type, from which the protecting groups can be removed selectively under mild conditions.
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López, Blanca, Martí Bartra, Ramon Berenguer, Xavier Ariza, Jordi Garcia, Roberto Gómez, and Hèctor Torralvo. "An Enantioselective Approach to 4-Substituted Proline Scaffolds: Synthesis of (S)-5-(tert-Butoxy carbonyl)-5-azaspiro[2.4]heptane-6-carboxylic Acid." Molecules 25, no. 23 (November 30, 2020): 5644. http://dx.doi.org/10.3390/molecules25235644.
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A catalytic and enantioselective preparation of the (S)-4-methyleneproline scaffold is described. The key reaction is a one-pot double allylic alkylation of an imine analogue of glycine in the presence of a chinchonidine-derived catalyst under phase transfer conditions. These 4-methylene substituted proline derivatives are versatile starting materials often used in medicinal chemistry. In particular, we have transformed tert-butyl (S)-4-methyleneprolinate (12) into the N-Boc-protected 5-azaspiro[2.4]heptane-6-carboxylic acid (1), a key element in the industrial synthesis of antiviral ledipasvir.
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Fleming, Nigel, and Ralph A. Nixon. "A versatile transition metal salt reaction for a wide range of common biochemical reagents: An instantaneous and quantifiable color test." Analytical Biochemistry 154, no. 2 (May 1986): 691–701. http://dx.doi.org/10.1016/0003-2697(86)90048-5.
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Zhao, Baoguo, and Wen-Wen Chen. "Decarboxylative Umpolung Synthesis of Amines from Carbonyl Compounds." Synlett 31, no. 16 (July 12, 2020): 1543–50. http://dx.doi.org/10.1055/s-0040-1707157.
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2-Azaallyl anions are valuable intermediates which have versatile applications in functionalization with various electrophiles. Decarboxylation of the imines formed from aromatic aldehydes and α,α-diphenylglycine provides an interesting and efficient way to generate delocalized 2-azaallyl anions, which display high reactivity toward different electrophiles with excellent regioselectivity at the diphenylketimino aryl carbon of the 2-azaallyl anions. The transformation produces various amines in good yields under very mild conditions. This Synpacts article highlights the recent advances on the decarboxylative umpolung synthesis of amines from carbonyl compounds.1 Introduction2 Decarboxylative Umpolung Reactions of Carbonyl Compounds with Different Electrophiles2.1 Reaction with π-Allyl–Pd(II) Species2.2 Reaction with Morita–Baylis–Hillman Adducts2.3 Reaction with Imines2.3.1 Intermolecular Reaction with N-Ts Imines2.3.2 Intramolecular Reaction with Chiral N-tert-Butanesulfinyl Imines2.4 Reaction with Aldehydes and Ketones3 Decarboxylative Umpolung Reaction of α,β-Unsaturated Aldehydes with Aldehydes4 Conclusion
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Keruckiene, Rasa, Simona Vekteryte, Ervinas Urbonas, Matas Guzauskas, Eigirdas Skuodis, Dmytro Volyniuk, and Juozas V. Grazulevicius. "Synthesis and properties of quinazoline-based versatile exciplex-forming compounds." Beilstein Journal of Organic Chemistry 16 (May 28, 2020): 1142–53. http://dx.doi.org/10.3762/bjoc.16.101.
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Three compounds, bearing a quinazoline unit as the acceptor core and carbazole, dimethyldihydroacridine, or phenothiazine donor moieties, were designed and synthesized in two steps including a facile copper-catalyzed cyclization and a nucleophilic aromatic substitution reaction. The photophysical properties of the compounds, based on theoretical calculations and experimental measurements, as well as the electrochemical and thermal properties, are discussed. The synthesized compounds form glasses with glass-transition temperatures ranging from 116 °C to 123 °C. The ionization potentials estimated by cyclic voltammetry of the derivatives were in the range of 5.22–5.87 eV. The 3,6-di-tert-butylcarbazole-substituted quinazoline-based compound forms a sky-blue emitting exciplex in solid mixture with the acceptor 2,4,6-tris[3-(diphenylphosphinyl)phenyl]-1,3,5-triazine as well as an orange emitting exciplex with the donor 4,4′,4″-tris[3-methylphenyl(phenyl)amino]triphenylamine. A white OLED based on these versatile exciplex systems with a relatively high maximum brightness of 3030 cd/m2 and an external quantum efficiency of 0.5% was fabricated.
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Bayada, Anne, Geoffrey A. Lawrance, Marcel Maeder, and Kirsten J. Molloy. "ATR-IR Spectroscopy for the Investigation of Solution Reaction Kinetics: Hydrolysis of Trimethyl Phosphate." Applied Spectroscopy 49, no. 12 (December 1995): 1789–92. http://dx.doi.org/10.1366/0003702953965902.
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ATR-IR spectroscopy is proposed as a versatile technique for the investigation of reaction kinetics in solution, particularly in aqueous solution. Subtraction of the solvent spectrum and thus quantitative absorption measurements are possible. In contrast to thin-film transmission spectroscopy, thermostatting is feasible. The high information content of IR spectra demands high-resolution spectra measured at many wave-numbers, and, for kinetic investigations, series of spectra are measured. A multivariate nonlinear least-squares fit is proposed that effectively overcomes the difficulties related to large numbers of data and parameters. As a test for the method, the base-catalyzed hydrolysis of trimethyl phosphate in aqueous solution was investigated. The rate constant is 1.6 × 10−1 s−1 at 40°C and pH 13.
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Yu, Jin Wei. "Reliability Laboratory Analysis of PCB Surface Coating Based on ENEPIG." Advanced Materials Research 418-420 (December 2011): 777–80. http://dx.doi.org/10.4028/www.scientific.net/amr.418-420.777.
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Electroless palladium are introduced to ENEPIG surface coating technology, from reaction principle to prevent oxidation of nickel-plated, but the process conditions and parameters of practical application are whether or not mass-produce condition , need using a series of reliability experiments to validate it , to reduce risk coefficient of mass-produce , to satisfy customer requirement. Therefore, put forward a package of experimental programs, including experiment projects, experiment methods, instrument and equipment for test, evaluate requirement, test result and analysis etc , especially using TEM have in-depth analysis for interface alloy compound of ENEPIG coating player with SAC305 , systematically verified ENEPIG production technology are mature and reliable, it is considered to be versatile surface coating technology, and particularly suitable for application in gold bonding and surface mount hybrid assembly board which are high connecting reliability product, completely replace the current ENIG technology.
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Ye, Jian-Liang, Hang Chen, Yu-Feng Zhang, and Pei-Qiang Huang. "A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline." Organic Chemistry Frontiers 3, no. 6 (2016): 683–92. http://dx.doi.org/10.1039/c6qo00022c.
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Fassy, Julien, Caroline Lacoux, Sylvie Leroy, Latifa Noussair, Sylvain Hubac, Aurélien Degoutte, Georges Vassaux, et al. "Versatile and flexible microfluidic qPCR test for high-throughput SARS-CoV-2 and cellular response detection in nasopharyngeal swab samples." PLOS ONE 16, no. 4 (April 14, 2021): e0243333. http://dx.doi.org/10.1371/journal.pone.0243333.
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The emergence and quick spread of SARS-CoV-2 has pointed at a low capacity response for testing large populations in many countries, in line of material, technical and staff limitations. The traditional RT-qPCR diagnostic test remains the reference method and is by far the most widely used test. These assays are limited to a few probe sets, require large sample PCR reaction volumes, along with an expensive and time-consuming RNA extraction step. Here we describe a quantitative nanofluidic assay that overcomes some of these shortcomings, based on the BiomarkTM instrument from Fluidigm. This system offers the possibility of performing 4608 qPCR end-points in a single run, equivalent to 192 clinical samples combined with 12 pairs of primers/probe sets in duplicate, thus allowing the monitoring of SARS-CoV-2 including the detection of specific SARS-CoV-2 variants, as well as the detection other pathogens and/or host cellular responses (virus receptors, response markers, microRNAs). The 10 nL-range volume of BiomarkTM reactions is compatible with sensitive and reproducible reactions that can be easily and cost-effectively adapted to various RT-qPCR configurations and sets of primers/probe. Finally, we also evaluated the use of inactivating lysis buffers composed of various detergents in the presence or absence of proteinase K to assess the compatibility of these buffers with a direct reverse transcription enzymatic step and we propose several protocols, bypassing the need for RNA purification. We advocate that the combined utilization of an optimized processing buffer and a high-throughput real-time PCR device would contribute to improve the turn-around-time to deliver the test results to patients and increase the SARS-CoV-2 testing capacities.
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Mendes, Joseane A., Paulo R. R. Costa, Miguel Yus, Francisco Foubelo, and Camilla D. Buarque. "N-tert-Butanesulfinyl imines in the asymmetric synthesis of nitrogen-containing heterocycles." Beilstein Journal of Organic Chemistry 17 (May 12, 2021): 1096–140. http://dx.doi.org/10.3762/bjoc.17.86.
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The synthesis of nitrogen-containing heterocycles, including natural alkaloids and other compounds presenting different types of biological activities have proved to be successful employing chiral sulfinyl imines derived from tert-butanesulfinamide. These imines are versatile chiral auxiliaries and have been extensively used as eletrophiles in a wide range of reactions. The electron-withdrawing sulfinyl group facilitates the nucleophilic addition of organometallic compounds to the iminic carbon with high diastereoisomeric excess and the free amines obtained after an easy removal of the tert-butanesulfinyl group can be transformed into enantioenriched nitrogen-containing heterocycles. The goal of this review is to the highlight enantioselective syntheses of heterocycles involving the use of chiral N-tert-butanesulfinyl imines as reaction intermediates, including the synthesis of several natural products. The synthesis of nitrogen-containing heterocycles in which the nitrogen atom is not provided by the chiral imine will not be considered in this review. The sections are organized according to the size of the heterocycles. The present work will comprehensively cover the most pertinent contributions to this research area from 2012 to 2020. We regret in advance that some contributions are excluded in order to maintain a concise format.
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Hayashi, Nobuyoshi, Tohru Sugawara, and Shinji Kato. "Computer-assisted automated synthesis. III. Synthesis of substituted N-(carboxyalkyl) amino-acid tert-butyl ester derivatives." Journal of Automatic Chemistry 13, no. 5 (1991): 187–97. http://dx.doi.org/10.1155/s1463924691000330.
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A versatile automated synthesis apparatus, equipped with a chemical artificial intelligence, was developed to prepare and isolate a wide variety of compounds. The apparatus was to the synthesis of substituted N-(carboxyalkyl)amino-acids. The apparatus [1,2] is composed of units for performing various tasks,for example reagent supply, reaction, purification and separation, each linked to a control system. All synthetic processes, including washing and drying of the apparatus after each synthetic run, were automatically performed from the mixing of the reactants to the isolation of the products as powders or crystals. The reaction of an amino-acid tertbutyl ester acetic acid salt with a 2-keto acid sodium salt produces an unstable intermediate, Schiff base, which is reduced with sodum cyanoborohydride to give a substituted N-(carboxyalkyl)aminoacid tert-butyl ester sodium salt. The equilibrium and the consecutive reactions were controlled by adding sodium cyanoborohydride using the artificial intelligence software, which contained novel kinetic equations [3] and substituent effects [4].Substitued N-(carboxyalkyl)amino-acid tert-butyl esters, 90 derivatives, were automatically synthesized using the computerassisted automated synthesis apparatus. The syntheses were performed unattended 24 hours a day, except for supplying the raw materials, reagents and solvents. The apparatus is extremely valuable for synthesizing many derivatives of a particular compound. The configurations of the products were determined by circular dichroism measurements.
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Stack, Andrew G., and Paul R. C. Kent. "Geochemical reaction mechanism discovery from molecular simulation." Environmental Chemistry 12, no. 1 (2015): 20. http://dx.doi.org/10.1071/en14045.
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Environmental context Computational simulations are providing an increasingly useful way to isolate specific geochemical and environmental reactions and to test how important they are to the overall rate. In this review, we summarise a few ways that one can simulate a reaction and discuss each technique’s overall strengths and weaknesses. Selected case studies illustrate how these techniques have helped to improve our understanding for geochemical and environmental problems. Abstract Methods to explore reactions using computer simulation are becoming increasingly quantitative, versatile and robust. In this review, a rationale for how molecular simulation can help build better geochemical kinetics models is first given. Some common methods are summarised that geochemists use to simulate reaction mechanisms, specifically classical molecular dynamics and quantum chemical methods and their strengths and weaknesses are also discussed. Useful tools such as umbrella sampling and metadynamics that enable one to explore reactions are discussed. Several case studies wherein geochemists have used these tools to understand reaction mechanisms are presented, including water exchange and sorption on aqueous species and mineral surfaces, surface charging, crystal growth and dissolution, and electron transfer. The effect that molecular simulation has had on our understanding of geochemical reactivity is highlighted in each case. In the future, it is anticipated that molecular simulation of geochemical reaction mechanisms will become more commonplace as a tool to validate and interpret experimental data, and provide a check on the plausibility of geochemical kinetic models.
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Tsang, Raymond SW, Muhammad Morshed, Max A. Chernesky, Gayatri C. Jayaraman, and Kamran Kadkhoda. "Canadian Public Health Laboratory Network Laboratory Guidelines for the Use of Direct Tests to Detect Syphilis in Canada." Canadian Journal of Infectious Diseases and Medical Microbiology 26, supplement a (2015): 13A—17A. http://dx.doi.org/10.1155/2015/685603.
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Treponema pallidumsubsp.pallidumand/or its nucleic acid can be detected by various methods such as microscopy, rabbit infectivity test or polymerase chain reaction (PCR) tests. The rabbit infectivity test forT. pallidum, although very sensitive, has been discontinued from most laboratories due to ethical issues related to the need for animal inoculation with liveT. pallidum, the technically demanding procedure and long turnaround time for results, thus making it impractical for routine diagnostic use. Dark-field and phase-contrast microscopy are still useful at clinic- or hospital-based laboratories for near-bedside detection ofT. pallidumin genital, skin or mucous lesions although their availability is decreasing. The lack of reliable and specific anti-T. pallidumantibodies and its inferior sensitivity to PCR may explain why the direct fluorescent antibody test forT. pallidumis not widely available for clinical use. Immunohistochemical staining forT. pallidumalso depends on the availability of specific antibodies, and the method is only applicable for histopathological examination of biopsy and autopsy specimens necessitating an invasive specimen collection approach. With recent advances in molecular diagnostics, PCR is considered to be the most reliable, versatile and practical for laboratories to implement. In addition to being an objective and sensitive test for direct detection ofTreponema pallidumsubsp. pallidumDNA in skin and mucous membrane lesions, the resulting PCR amplicons from selected gene targets can be further characterized for antimicrobial (macrolide) susceptibility testing, strain typing and identification ofT. pallidumsubspecies.
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Cintas, Pedro, Katia Martina, Bruna Robaldo, Davide Garella, Luisa Boffa, and Giancarlo Cravotto. "Improved Protocols for Microwave-Assisted Cu(I)-Catalyzed Huisgen 1,3-Dipolar Cycloadditions." Collection of Czechoslovak Chemical Communications 72, no. 8 (2007): 1014–24. http://dx.doi.org/10.1135/cccc20071014.
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The Huisgen 1,3-dipolar cycloaddition of azides and acetylenes catalyzed by Cu(I) salts, leading to 1,2,3-triazoles, is one of the most versatile "click reactions". We have developed a series of optimized protocols and new applications of this reaction starting from several substrates, comparing heterogeneous vs homogeneous catalysis, conventional heating vs microwave irradiation or simultaneous microwave/ultrasound irradiation. Both non-conventional techniques strongly promoted the cycloaddition (bromide → azide → triazole), that could be conveniently performed in a one-pot procedure. This was feasible even with such bulky molecules as functionalized β-cyclodextrins (β-CD), starting from 61-O-tosyl-β-CD or from heptakis[6-O-(tert-butyldimethylsilyl)]-21-O-propargyl-β-CD. "Greener" heterogeneous catalysis with charcoal-supported Cu(II) or Cu(I) (prepared under ultrasound) was advantageously employed.
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Wan, Menghui, Haodong Zhao, Lichao Peng, Xueyan Zou, Yanbao Zhao, and Lei Sun. "Loading of Au/Ag Bimetallic Nanoparticles within and Outside of the Flexible SiO2 Electrospun Nanofibers as Highly Sensitive, Stable, Repeatable Substrates for Versatile and Trace SERS Detection." Polymers 12, no. 12 (December 16, 2020): 3008. http://dx.doi.org/10.3390/polym12123008.
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In this paper, we propose a facile and cost-effective electrospinning technique to fabricate surface-enhanced Raman scattering (SERS) substrates, which is appropriate for multiple analytes detection. First of all, HAuCl4∙3H2O was added into the TEOS/PVP precursor solution, and flexible SiO2 nanofibers incorporated with gold nanoparticles (SiO2@Au) were prepared by electrospinning and calcination. Subsequently, the nanofibrous membranes were immersed in the tannic acid and 3-aminopropyltriethoxysilane solution for surface modification through Michael addition reaction. Finally, the composite nanofibers (Ag@T-A@SiO2@Au) were obtained by the in-situ growth of Ag nanoparticles on the surfaces of nanofibers with tannic acid as a reducing agent. Due to the synergistic enhancement of Au and Ag nanoparticles, the flexible and self-supporting composite nanofibrous membranes have excellent SERS properties. Serving as SERS substrates, they are extremely sensitive to the detection of 4-mercaptophenol and 4-mercaptobenzoic acid, with an enhancement factor of 108. Moreover, they could be utilized to detect analytes such as pesticide thiram at a low concentration of 10−8 mol/L, and the substrates retain excellent Raman signals stability during the durability test of 60 days. Furthermore, the as-fabricated substrates, as a versatile SERS platform, could be used to detect bacteria of Staphylococcus aureus without a specific and complicated bacteria-aptamer conjugation procedure, and the detection limit is up to 103 colony forming units/mL. Meanwhile, the substrates also show an excellent repeatability of SERS response for S. aureus organelles. Briefly, the prime novelty of this work is the fabrication of Au/Ag bimetallic synergetic enhancement substrates as SERS platform for versatile detection with high sensitivity and stability.
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Kasa, Siti Norbaya, Mohd Firdaus Omar, Mohd Mustafa Al Bakri Abdullah, Ismarul Nizam Ismail, Sam Sung Ting, Sebastian Calin Vac, and Petrica Vizureanu. "Effect of Unmodified and Modified Nanocrystalline Cellulose Reinforced Polylactic Acid (PLA) Polymer Prepared by Solvent Casting Method Morphology, mechanical and thermal properties." Materiale Plastice 54, no. 1 (March 30, 2017): 91–97. http://dx.doi.org/10.37358/mp.17.1.4793.
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The positive attributes of excellent biocompatibility and biodegradability of biocomposites with the addition of versatile nanocellulose from agriculture wastes have provided plenty opportunities for further development of functional biocomposite in various fields. Therefore, solvent casting was selected as a reinforcement method in order to produce biocomposite comprise of nanocrystalline cellulose and PLA polymer. Modification of nanocrystalline cellulose through acetylation reaction was conducted upon reinforcement to reduce its surface polarity and hidrophilicity. Biocomposite films prepared at various unmodified (uNC) and acetylated nanocrytalline cellulose (aNC) loading were exposed to morphological (FESEM), tensile test and thermal analysis (TGA). Reinforcement of aNC shows a better dispersion in PLA polymer due to the decreasing of surface polarity, thus increasing inter-facial interaction between both materials. This is proven by greater performance of biocomposite films in tensile strength, Young�s modulus and thermal stability of aNC reinforced PLA as compared to uNC reinforced PLA. Overall, it can be concluded that these research findings can widen the scope of biocomposites research area and have significant implications for the commercial application of biomass products.
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Striednig, Marcus, Martin Graus, Tilmann D. Märk, and Thomas G. Karl. "InnFLUX – an open-source code for conventional and disjunct eddy covariance analysis of trace gas measurements: an urban test case." Atmospheric Measurement Techniques 13, no. 3 (March 30, 2020): 1447–65. http://dx.doi.org/10.5194/amt-13-1447-2020.
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Abstract. We describe and test a new versatile software tool for processing eddy covariance and disjunct eddy covariance flux data. We present an evaluation based on urban non-methane volatile organic compound (NMVOC) measurements using a proton transfer reaction quadrupole interface time-of-flight mass spectrometer (PTR-QiTOF-MS) at the Innsbruck Atmospheric Observatory. The code is based on MATLAB® and can be easily configured to process high-frequency, low-frequency and disjunct data. It can be applied to a wide range of analytical setups for NMVOC and other trace gas measurements, and is tailored towards the application of noisy data, where lag time corrections become challenging. Several corrections and quality control routines are implemented to obtain the most reliable results. The software is open source, so it can be extended and adjusted to specific purposes. We demonstrate the capabilities of the code based on a large urban dataset collected in Innsbruck, Austria, where three-dimensional winds and ambient concentrations of NMVOCs and auxiliary trace gases were sampled with high temporal resolution above an urban canopy. Concomitant measurements of 12C and 13C isotopic NMVOC fluxes allow testing algorithms used for determination of flux limits of detection (LOD) and lag time analysis. We use the high-frequency NMVOC dataset to generate a set of disjunct data and compare these results with the true eddy covariance method. The presented analysis allows testing the theory of disjunct eddy covariance (DEC) in an urban environment. Our findings confirm that the disjunct eddy covariance method can be a reliable tool, even in complex urban environments when fast sensors are not available, but that the increase in random error impedes the ability to detect small fluxes due to higher flux LODs.
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M. de Souza, Felipe, Jonghyun Choi, Sanket Bhoyate, Pawan K. Kahol, and Ram K. Gupta. "Expendable Graphite as an Efficient Flame-Retardant for Novel Partial Bio-Based Rigid Polyurethane Foams." C — Journal of Carbon Research 6, no. 2 (May 1, 2020): 27. http://dx.doi.org/10.3390/c6020027.
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The rigid polyurethane foam (PU) is a versatile material, used especially for construction and household applications. The current situation demands a facile, cost-efficient, and greener approach for developing the polyurethanes from bio-derived materials. In this study, we present a novel bio-polyol synthesized using carvone, an extract from caraway, spearmint, or dill seeds via facile thiol-ene reaction. Our one-step reaction uses a UV irradiation to allow the room temperature conversion of the carvone to a high purity bio-polyol, as confirmed from the standard analytical characterizations. The hydroxyl number of 365 mg KOH/g close to its theoretical limit confirms the high conversion yield of the polyol for rigid PU synthesis. To overcome the flammability issues in PU, expandable graphite (EG) powder was used as an additive flame-retardant during the synthesis step. The resulting foams with EG maintained the uniform closed cell structure (>95%) with a high compression strength of 175 kPa. The addition of EG in PU results in the formation of a protective char layer during the flammability test and reduces the weight loss from 40.70% to 3.55% and burning time from 87 to 11 s. Our results confirm that the carvone-based polyol can be a novel alternative to the petroleum polyols for an industrial-scale application.
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Li, Chang, Bingbing Wang, Hao Wan, Rongxiang He, Qi Li, Siyuan Yang, Wencan Dai, and Ning Wang. "An Integrated Optofluidic Platform Enabling Total Phosphorus On-Chip Digestion and Online Real-Time Detection." Micromachines 11, no. 1 (January 1, 2020): 59. http://dx.doi.org/10.3390/mi11010059.
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This paper presents a total phosphorus online real-time monitoring system integrated with on-chip digestion based on the merits of optofluidic technology. The integrated optofluidic device contains a hollow optical fiber employed for pretreatment and digestion of phosphorus solution samples, a polydimethylsiloxane (PDMS)-based micromixer with convergent–divergent walls designed to enable sufficient mixing and chromogenic reaction, and a couple of optical fiber collimators attached with a Z-shaped flow cell for optical detection. Details of system design and fabrication are introduced in this paper. In the experiment, on-chip digestion of four typical phosphates in aqueous solution including organophosphorus and inorganic phosphorus is investigated under different reaction conditions, such as digestion temperature, concentration of oxidant and pH value, and the optimal reaction parameters are explored under different conditions. Meanwhile, we demonstrate the online real-time monitoring function of the optofluidic device, and the digestion mechanisms of four different phosphates are analyzed and discussed. Compared with the national standard method, we find that the measurement accuracy and sensitivity are acceptable when the concentration of total phosphorus is between 0.005–0.9 mg/L (by weight of P) in aqueous solution, which covers the range defined in the national standard. The traditional digestion time of several hours is greatly reduced to less than 10 s, and the content of total phosphorus can be obtained in a few minutes. The integrated optofluidic device can significantly shorten the test time and reduce the sample amount, and also provides a versatile platform for the real-time detection and analysis of many biochemical samples.
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Yılmaz, Nurkan. "Investigation of the effect of acute badminton training on selected biomotoric parameters." Physical education of students 26, no. 1 (February 28, 2022): 11–17. http://dx.doi.org/10.15561/20755279.2022.0102.
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Background and Study Aim. One of the fastest racquet sports in the world, badminton is defined as a versatile, explosive sprint sport that requires players to perform intense rhythmic movements with its highly competitive and dynamic feature. The aim of this study is to investigate the effectiveness of 4-week badminton training on some selected biomotoric features in young individuals engaged in recreational sports.
Material and Methods. Twenty seven students of sports sciences voluntarily participated in the study (age = 18,85 ± 0,98 years). A total of 4 weeks of training was given for 2 hours a day specific to badminton sport. We examined the effects of pre-post training development of biomotoric properties, flexibility, reaction, vertical jump, balance and agility parameters on performance. Statistical analyzes of the data obtained as a result of the research were obtained using the IBM SPSS 23.0 package program.
Results. The differences before and after badminton training, a statistically significant difference was found between pretest and posttest measurements of flexibility (5.53%), reaction (24.66%), vertical jump (8.93%), and agility (2.54%) tests (p<0.05). In the balance test, although there was a mathematical difference of 17.84%, this difference was not statistically significant (p>0.05). Finally, 4-week training improves flexibility, reaction, vertical jump and agility performances in a positive and meaningful way (p<0.05).
Conclusions. The findings showed that the training method specific to badminton sport improved the flexibility, reaction, vertical jump and agility performances of individuals compared to pre-training. Specifically, these results revealed that the training-performance relationship clearly affects each other positively. In future studies, it can be predicted that more multidisciplinary training methods will be directed to research by making macro plans.
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Zedler, Linda, Sven Krieck, Stephan Kupfer, and Benjamin Dietzek. "Resonance Raman Spectro-Electrochemistry to Illuminate Photo-Induced Molecular Reaction Pathways." Molecules 24, no. 2 (January 10, 2019): 245. http://dx.doi.org/10.3390/molecules24020245.
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Electron transfer reactions play a key role for artificial solar energy conversion, however, the underlying reaction mechanisms and the interplay with the molecular structure are still poorly understood due to the complexity of the reaction pathways and ultrafast timescales. In order to investigate such light-induced reaction pathways, a new spectroscopic tool has been applied, which combines UV-vis and resonance Raman spectroscopy at multiple excitation wavelengths with electrochemistry in a thin-layer electrochemical cell to study [RuII(tbtpy)2]2+ (tbtpy = tri-tert-butyl-2,2′:6′,2′′-terpyridine) as a model compound for the photo-activated electron donor in structurally related molecular and supramolecular assemblies. The new spectroscopic method substantiates previous suggestions regarding the reduction mechanism of this complex by localizing photo-electrons and identifying structural changes of metastable intermediates along the reaction cascade. This has been realized by monitoring selective enhancement of Raman-active vibrations associated with structural changes upon electronic absorption when tuning the excitation wavelength into new UV-vis absorption bands of intermediate structures. Additional interpretation of shifts in Raman band positions upon reduction with the help of quantum chemical calculations provides a consistent picture of the sequential reduction of the individual terpyridine ligands, i.e., the first reduction results in the monocation [(tbtpy)Ru(tbtpy•)]+, while the second reduction generates [(tbtpy•)Ru(tbtpy•)]0 of triplet multiplicity. Therefore, the combination of this versatile spectro-electrochemical tool allows us to deepen the fundamental understanding of light-induced charge transfer processes in more relevant and complex systems.
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Attoye, Bukola, Chantevy Pou, Ewen Blair, Christopher Rinaldi, Fiona Thomson, Matthew J. Baker, and Damion K. Corrigan. "Developing a Low-Cost, Simple-to-Use Electrochemical Sensor for the Detection of Circulating Tumour DNA in Human Fluids." Biosensors 10, no. 11 (October 28, 2020): 156. http://dx.doi.org/10.3390/bios10110156.
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It is well-known that two major issues, preventing improved outcomes from cancer are late diagnosis and the evolution of drug resistance during chemotherapy, therefore technologies that address these issues can have a transformative effect on healthcare workflows. In this work we present a simple, low-cost DNA biosensor that was developed specifically to detect mutations in a key oncogene (KRAS). The sensor employed was a screen-printed array of carbon electrodes, used to perform parallel measurements of DNA hybridisation. A DNA amplification reaction was developed with primers for mutant and wild type KRAS sequences which amplified target sequences from representative clinical samples to detectable levels in as few as twenty cycles. High levels of sensitivity were demonstrated alongside a clear exemplar of assay specificity by showing the mutant KRAS sequence was detectable against a significant background of wild type DNA following amplification and hybridisation on the sensor surface. The time to result was found to be 3.5 h with considerable potential for optimisation through assay integration. This quick and versatile biosensor has the potential to be deployed in a low-cost, point-of-care test where patients can be screened either for early diagnosis purposes or monitoring of response to therapy.
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Moabelo, Koena L., Darius R. Martin, Adewale O. Fadaka, Nicole R. S. Sibuyi, Mervin Meyer, and Abram M. Madiehe. "Nanotechnology-Based Strategies for Effective and Rapid Detection of SARS-CoV-2." Materials 14, no. 24 (December 18, 2021): 7851. http://dx.doi.org/10.3390/ma14247851.
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The coronavirus disease 2019 (COVID-19) pandemic has gained worldwide attention and has prompted the development of innovative diagnostics, therapeutics, and vaccines to mitigate the pandemic. Diagnostic methods based on reverse transcriptase-polymerase chain reaction (RT-PCR) technology are the gold standard in the fight against COVID-19. However, this test might not be easily accessible in low-resource settings for the early detection and diagnosis of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The lack of access to well-equipped clinical laboratories, requirement for the high level of technical competence, and the cost of the RT-PCR test are the major limitations. Moreover, RT-PCR is unsuitable for application at the point-of-care testing (PoCT) as it is time-consuming and lab-based. Due to emerging mutations of the virus and the burden it has placed on the health care systems, there is a growing urgency to develop sensitive, selective, and rapid diagnostic devices for COVID-19. Nanotechnology has emerged as a versatile technology in the production of reliable diagnostic tools for various diseases and offers new opportunities for the development of COVID-19 diagnostic systems. This review summarizes some of the nano-enabled diagnostic systems that were explored for the detection of SARS-CoV-2. It highlights how the unique physicochemical properties of nanoparticles were exploited in the development of novel colorimetric assays and biosensors for COVID-19 at the PoCT. The potential to improve the efficiency of the current assays, as well as the challenges associated with the development of these innovative diagnostic tools, are also discussed.
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Frolova, Liudmyla Serhiivna, Nataliia Pavlivna Chernenko, and YuriyOleksiyovych Petrenko. "FEATURES OF THE VISUAL-MOTOR REACTION OF YOUNG VOLLEYBALL PLAYERS AND ITS IMPACTON THE ACCURACY OF THE ATTACKING BLOW." CHERKASY UNIVERSITY BULLETIN: BIOLOGICAL SCIENCES SERIES, no. 2 (2021): 71–79. http://dx.doi.org/10.31651/2076-5835-2018-1-2021-2-71-79.
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Introduction.The high speed and accuracy of the visual-motor reaction are the basis for the formation of the precision of volleyball players' movements. However, the visual-motor reaction of young volleyball players and its effect on the accuracy of an attack strike has not been studied.Purpose.Establishing features of the visual-motor reaction of young volleyball players with the direction of the periphery of the vision during the visual perception of moving objects and their influence on the accuracy of the attacking blow, taking into account motor asymmetry.Methods and material. 66 femaile volleyball players (7-16 years old) were examined. Technical preparedness of 22 femaile volleyball players (14-16 years old) were researched. A computer-based visual-response program and an impact test were used.Results.The dependence of the motor action on the accuracy of the reaction to the object moving is shown.At binocular perception,7-9-year-old volleyball players are dominated by the processes of excitation both in the general hit and in the reaction to the irritants presented fromthe left and fromthe rightsides. Volleyball players 13-16 years demonstrated the balance of nerve processes.Inhibition processes prevailed for athletes 10–12 years old. Proximity to balance of nervous processes was observed for 13–16 year olds when perceived with the left eye. The results of the study showed the correlation of the accuracy of the reaction with the accuracy of the attacking blow in the binocular and monocular perception of moving objects.Originality.Data on sensorimotor reactions in volleyball have been expanded. Taking into account the versatile perception of moving objects.Conclusions.Sensory prerequisites for the formation of the accuracy of an attack hit of young volleyball players are considered. The accuracy of the attacking blow by the right (dominant) hand depends on the accuracy of the reaction to the object moving from above-below with binocular perception. The connection of the accuracy of the reaction to a moving object from above with the accuracy of the attacking blow to the left area of the volleyball court increases significantly with the perception of the left eye. The accuracy of the reaction to the moving object from the right-left is less significant for the accuracy of the attacking blow by the right (the dominant) hand compared with the reaction to the object moving from above-below.Keywords.reaction to a moving object, periphery ofvisual perception, motor accuracy, motor asymmetry, excitation and inhibition of the nervous system.
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Ali, Sabir, Aneel Kumar, Samar Hussain Rizvi, Mohsin Ali, and Israr Ahmed. "Effect of Sugarcane Bagasse Ash as Partial Cement Replacement on the Compressive Strength of Concrete." Quaid-e-Awam University Research Journal of Engineering, Science & Technology 18, no. 02 (December 31, 2020): 44–49. http://dx.doi.org/10.52584/qrj.1802.07.
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The disposal of solid waste in open environment is a serious alarming concern that needs immediate attention from the researchers. The hazardous solid agro-industrial wastes which include: wheat straw ash, rice husk ash, corn cob ash and sugarcane bagasse ash (SCBA), having pozzolanic properties, have a versatile use in concrete. The solid pozzolana enhances the various concrete properties by the reaction of silicates with calcium hydroxide in the presence of water, which in result generate a saturated zone of calcium silicate hydrate (CSH) gel. This C-S-H gel reduces the amount of calcium hydroxide C(OH)2 during the hydration process of cement. Very limited research works have been done on concrete by partially replacing cement with SCBA. This research work was focused on evaluating the properties of concrete by partially replacing cement with SCBA at 0, 5, 10, and 15 percentages. Compressive strength, Strength activity index, and water absorption of all mixes were examined. And it was observed that all SCBA mixes showed an increase in compressive strength and at 10% replacement the strength activity index was at a peak of 115.67%, but all the SCBA mixes showed a strength activity index greater than 75% which satisfied the standard specification. The water absorption test for all SCBA mixes showed a slight increase in water absorption.
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Rossetti, S., M. C. Tomei, C. Levantesi, R. Ramadori, and V. Tandoi. "“Microthrix parvicella”: a new approach for kinetic and physiological characterization." Water Science and Technology 46, no. 1-2 (July 1, 2002): 65–72. http://dx.doi.org/10.2166/wst.2002.0458.
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Two strains of “Microthrix parvicella” (RN1 and 4B strains) have been physiologically and kinetically characterized by utilizing a new technique particularly suitable for slow growing bacteria. The proposed method is based on the Total Extended Filament Length (TEFL) measure on filaments grown on agar surfaces. This allows us to study more easily and rapidly slow growing bacteria under many different conditions without altering the growth environment during the test. “Microthrix parvicella” appears to have versatile physiological capabilities allowing effective competition against other bacteria in the complex biocenosis of activated sludge. Main peculiarities of this organism are its storage capabilities under an aerobic/anoxic/anaerobic reaction environment, the resistance to long periods of anoxic/anaerobic conditions, the possibility of growing with appreciable kinetics at very low temperatures. In the kinetic characterization low Ks values have been observed; this finding supports the assumption that “Microthrix parvicella” is a “Ks- strategist” with high substrate affinity. Kinetics tests performed in a mixed population of activated sludge bacteria and on pure culture of filaments isolated from the same sludge sample showed that no beneficial effect on the growth rates of “Microthrix parvicella” seems attributable to the presence of activated sludge. This last result confirms the validity of pure culture studies for this microorganism and the reliability of physiological and kinetic data so evaluated in describing real systems.
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Wang, Boya, Chris Thachuk, Andrew D. Ellington, Erik Winfree, and David Soloveichik. "Effective design principles for leakless strand displacement systems." Proceedings of the National Academy of Sciences 115, no. 52 (December 13, 2018): E12182—E12191. http://dx.doi.org/10.1073/pnas.1806859115.
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Artificially designed molecular systems with programmable behaviors have become a valuable tool in chemistry, biology, material science, and medicine. Although information processing in biological regulatory pathways is remarkably robust to error, it remains a challenge to design molecular systems that are similarly robust. With functionality determined entirely by secondary structure of DNA, strand displacement has emerged as a uniquely versatile building block for cell-free biochemical networks. Here, we experimentally investigate a design principle to reduce undesired triggering in the absence of input (leak), a side reaction that critically reduces sensitivity and disrupts the behavior of strand displacement cascades. Inspired by error correction methods exploiting redundancy in electrical engineering, we ensure a higher-energy penalty to leak via logical redundancy. Our design strategy is, in principle, capable of reducing leak to arbitrarily low levels, and we experimentally test two levels of leak reduction for a core “translator” component that converts a signal of one sequence into that of another. We show that the leak was not measurable in the high-redundancy scheme, even for concentrations that are up to 100 times larger than typical. Beyond a single translator, we constructed a fast and low-leak translator cascade of nine strand displacement steps and a logic OR gate circuit consisting of 10 translators, showing that our design principle can be used to effectively reduce leak in more complex chemical systems.
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Abdo, Nadia Y. Megally, Rafat M. Mohareb, and Waleed N. Al-darkazali. "Heterocyclization of 2-Arylidenecyclohexan-1,3-dione: Synthesis of Thiophene, Thiazole, and Isoxazole Derivatives with Potential Antitumor Activities." Anti-Cancer Agents in Medicinal Chemistry 20, no. 3 (April 24, 2020): 335–45. http://dx.doi.org/10.2174/1871520619666190730103425.
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Background: Thiophene, thiazole, and isoxazole derivatives are present in a wide range of natural and synthetic compounds with heterogeneous pharmacological activity. Due to their structural diversity, they are some of the most versatile classes of compounds for anticancer drug design and discovery. Objective: Thiophene, thiazole, and isoxazole derivatives were herein designed with a dual purpose: as antiproliferative agents and kinase inhibitors. Methods: The test compounds were synthesized in moderate to high yields through a simple methodology. Tetrahydrobenzo[b]thiophen-5-one derivatives 5a-f were prepared from the reaction of 2-arylidencyclohexan- 1,3-dione 3a-c with elemental sulfur and either of malononitrile (4a) or ethyl cyanoacetate (4b) in 1,4-dioxan in the presence of triethylamine. Compounds 5a,b were used for the synthesis of thiophene, thiazole, and isoxazole derivatives through their reactions with different chemical reagents. Results: Antiproliferative evaluations, c-Met kinase, and Pim-1 kinase inhibitions were performed where some compounds revealed high activities. In all cases, antiproliferative activity and the kinase inhibitions were performed against six cancer cell lines and five tyrosine kinases, respectively. Where the most cytotoxic compounds were 3c, 5d, and 16c with IC50’s 0.29, 0.68, and 0.42μM, respectively, against the A549 cell line. Conclusion: The anti-proliferative activities of the newly synthesized compounds were evaluated against the six cancer cell lines (A549, HT-29, MKN-45, U87MG, SMMC-7721, and H460). The most potent compounds toward the cancer cell lines (3a, 3c, 5d, 7c, 11c, 16a, and 16c) were further investigated towards the five tyrosine kinases (c-kit, FIT-3, VEGFR-2, EGFR, and PDGFR). Compounds 3c, 5d, and 16c were selected for testing of their inhibition for the Pim-1 kinase due to their anti-proliferation activities against the cancer cell lines and their high activities against the tyrosine kinases.
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Azemin, Amirah, Nadiawati Alias, and Asmad Kari. "Identification of Pseudomonas aeruginosa strains isolated from Dorper sheep milk with subclinical-mastitis infection by uniplex PCR using 16S rRNA, lasI/R, gyrB and ecfX genes." Malaysian Journal of Fundamental and Applied Sciences 18, no. 1 (February 28, 2022): 30–42. http://dx.doi.org/10.11113/mjfas.v18n1.2302.
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Pseudomonas aeruginosa is an opportunistic and versatile pathogenic bacterium that can adapt in various environmental condition, which play a role in multiple virulence factor and resistance to antibiotics. Moreover, molecular identification techniques using single target gene is more susceptible to error and false positive. Thus, the detection of this strain with high specificity and sensitivity is crucial in order to control this pathogenic bacterium. The aim of this study was to evaluate six bacteria strains (13-1, 66-1, 00-1, 46-1, 10-R and 67-1) isolated from Dorper sheep milk and two P. aeruginosa ATCC strains (ATCC BAA-2108 and ATCC27853) for prompt identification of the strains based on uniplex polymerase chain reaction which targeting PA-SS, PA-GS, lasI/R, gyrB and ecfX genes. In the present study, the Dorper sheep milk’s samples (n = 32) were collected and tested with California mastitis test (CMT). Out of 32 milk’s samples, six of the samples were detected with strong mastitis, and thus were continued with inoculation process on selective media Pseudomonas Agar P (for pyocyanin) or F (fluorescein) and MacConkey agar for differentiation. After extraction of the bacteria chromosomal DNA, uniplex PCR amplification were carried out by using 16S rRNA (PA-SS and PA-GS) primers and specific P. aeruginosa genes (lasI/R, gyrB and ecfX) primers. The specificity of the primers was also examined by non-Pseudomonas species as a control for data comparison. Sequence analysis has revealed that six of the isolated samples were confirmed as P. aeruginosa strains with the respective genes sequence confirmed by BLAST and Clustal Omega. From this study, lasI/R, gyrB and ecfX were highly reliable primers with the percentage of identification of more than 95.0% as compared to PA-SS and PA-GS which were less than 90.0%. This study concludes that highly specific and sensitive assay has been developed using lasI/R, gyrB and ecfX targeted genes for the detection of P. aeruginosa strains isolated from fresh sheep milk samples.
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Siavash Moakhar, Roozbeh, Carolina del Real Mata, Houda Shafique, Mahsa Jalali, Justin de Vries, Julia Strauss, Tamer Abdel Fatah, et al. "(Digital Presentation) Biomimic Nanotemplating Assay Based on Molecularly Imprinted Polymers for the Impedimetric Detection of Sars-Cov-2 and Influenza A Spike Proteins in Untreated Saliva." ECS Meeting Abstracts MA2022-02, no. 63 (October 9, 2022): 2446. http://dx.doi.org/10.1149/ma2022-02632446mtgabs.
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With the continuously fluctuating incidence of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), critical gaps in the field of rapid diagnostic testing have been exposed, particularly in the diagnosis of viral respiratory infections. Current gold standard methods rely on real time quantitative polymerase chain reaction (RT-qPCR) for the detection of viral nucleic acids, but these tests are challenged with long turnaround times, costly centralized laboratory equipment and the need for trained personnel to execute the protocols. With the growing number of emerging variants that can evade both immune responses and inoculation, addressing current testing challenges is critical to manage the spread of viral infections. Here, we propose the design of a novel assay based on our previously studied gold nano/micro islands (NMIs) as a core for the fabrication of an ultrathin molecularly imprinted polymer (MIP) for the impedimetric detection of SARS-CoV-2 and Influenza A spike proteins (SPs) in untreated saliva within 10 minutes. The proposed electrofabrication protocol is rapidly adaptable to a diverse repertoire of protein biomarkers; in this work, we demonstrate the impedimetric detection of the SARS-CoV-2 original strain, Alpha B.1.1.7, Delta B.1.617.2 and Omicron B.1.1.529 variant SP, as well as the Influenza A SP within physiologically relevant ranges and at a low limit of detection to enable the diagnosis of acute infections. Validation was performed at two unique test sites with 51 SARS-CoV-2 patient samples to demonstrate an overall 100% sensitivity and 100% specificity of the NMIs/MIPs assay. Robust quantification of the electrochemical assay was confirmed against RT-qPCR, which effectively enabled statistically significant (p < .0005) viral load quantification on a rapid, miniaturized, and ultrasensitive platform. This novel technology presents the development of a quantitative and versatile electrochemical assay with the potential for the rapid detection of current and future viral respiratory infections, which can guide future electrochemical clinical and commercial point-of-care testing platforms.
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Labbe, Matthew, Ken Cadien, and Douglas G. Ivey. "Atomic Layer Deposition of Highly Stable Manganese-Iron Oxide Bifunctional Catalysts for Zinc-Air Batteries." ECS Meeting Abstracts MA2022-01, no. 3 (July 7, 2022): 457. http://dx.doi.org/10.1149/ma2022-013457mtgabs.
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Incorporating intermittent renewable energy sources into the power grid will require large amounts of grid-scale energy storage. Electrochemical batteries are a versatile and scalable energy storage option and, hence, Li-ion batteries have been widely adopted to store excess wind and solar energy [1]. Li-ion batteries, however, have a relatively low energy density and serious safety concerns. An alternative electrochemical battery option lies with zinc-air batteries. This technology uses lower cost materials and is overall much safer. Furthermore, zinc-air batteries have a much larger theoretical energy density than Li-ion batteries [2]. The major impediment to wide-scale adoption of zinc-air batteries is the low energy efficiency because of the poor reaction kinetics at the air electrode. Both the charge and discharge reactions at the air electrode are sluggish and require the use of catalysts to obtain practicable performance. However, many catalysts active towards the charge reaction are not active towards the discharge reaction, and vice versa. The development of a catalyst active towards both the charge and discharge reactions, known as a bifunctional catalyst, is therefore a high priority [3]. Furthermore, catalysts employed in zinc-air batteries often show instability, with performance degradation evident after a few cycles. Ultimately, a highly stable bifunctional zinc-air battery catalyst is of the utmost importance. The aim of this work is to develop highly stable bifunctional catalysts for zinc-air batteries using atomic layer deposition (ALD). With ALD, extremely conformal catalyst coatings can be deposited directly on the air electrode of a zinc-air battery. The self-limiting surface reactions of ALD ensure that electrode porosity is maintained while maximizing the total coating surface area [4]. Since ALD operates in the gas phase, catalytic coatings can be deposited deep within the pores of the air electrode. This will help maintain the three-phase boundary necessary for the discharge reaction and ultimately improve the stability of a zinc-air battery [5]. To create a bifunctional catalyst, two ALD processes, one for manganese oxide and another for iron oxide, is combined into one ALD supercycle, depositing a mixed manganese-iron oxide. Since manganese oxide is a well-established discharge catalyst [6], and iron oxide demonstrates activity towards the charge reaction [7], this mixed manganese-iron oxide exhibits bifunctional activity in a zinc-air battery. An optimized supercycle process will be discussed and full-cell battery test results showcased. Specifically, the bifunctional efficiency of a zinc-air battery can be improved by more than 10% by using the mixed manganese-iron oxide catalyst. In addition, the high stability of the manganese-iron oxide catalyst is demonstrated, where bifunctional efficiency can be maintained at over 95% of the initial value over 200 cycles. Materials characterization of the mixed manganese-iron oxide, deposited through ALD, is also included. [1] L. Trahey, F. R. Brushett, N. P. Balsara, G. Ceder, L. Cheng, Y. M. Chiang, N. T. Hahn, B. J. Ingram, S. D. Minteer, J. S. Moore, K. T. Mueller, L. F. Nazar, K. A. Persson, D. J. Siegel, K. Xu, K. R. Zavadil, V. Srinivasan, and G. W. Crabtree, “Energy Storage Emerging: A Perspective from the Joint Center for Energy Storage Research,” Proc. Natl. Acad. Sci. U. S. A., vol. 117, no. 23, pp. 12550–12557, 2020. [2] J. Fu, R. Liang, G. Liu, A. Yu, Z. Bai, L. Yang, and Z. Chen, “Recent Progress in Electrically Rechargeable Zinc – Air Batteries,” Adv. Mater., vol. 31, no. 31, p. 1805230, 2019. [3] E. Davari and D. G. Ivey, “Bifunctional electrocatalysts for Zn – air batteries,” Sustain. Energy Fuels, vol. 2, no. 1, pp. 39–67, 2018. [4] C. Detavernier, J. Dendooven, S. Pulinthanathu Sree, K. F. Ludwig, and J. A. Martens, “Tailoring nanoporous materials by atomic layer deposition,” Chem. Soc. Rev., vol. 40, no. 11, pp. 5242–5253, 2011. [5] M. P. Clark, M. Xiong, K. Cadien, and D. G. Ivey, “High Performance Oxygen Reduction/Evolution Electrodes for Zinc − Air Batteries Prepared by Atomic Layer Deposition of MnOx,” ACS Appl. Energy Mater., vol. 3, no. 1, pp. 603–313, 2020. [6] M. P. Clark, T. Muneshwar, M. Xiong, K. Cadien, and D. G. Ivey, “Saturation Behavior of Atomic Layer Deposition MnOx from Bis(Ethylcyclopentadienyl) Manganese and Water: Saturation Effect on Coverage of Porous Oxygen Reduction Electrodes for Metal-Air Batteries,” ACS Appl. Nano Mater., vol. 2, no. 1, pp. 267–277, 2019. [7] M. Labbe, M. P. Clark, Z. Abedi, A. He, K. Cadien, and D. G. Ivey, “Atomic layer deposition of iron oxide on a porous carbon substrate via ethylferrocene and an oxygen plasma,” Surf. Coatings Technol., vol. 421, p. 127390, 2021.