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Search results for: molecular logic gates
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BASECOL2023 scientific content
PublicationContext. The global context of making numerous data produced by researchers available requires collecting and organising the data, assigning meaningful metadata, and presenting the data in a meaningful and homogeneous way. The BASECOL database, which collects inelastic rate coefficients for application to the interstellar medium and to circumstellar and cometary atmospheres, meets those requirements. Aims. We aim to present the...
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Towards mechanosynthesis of diamondoid structures: iv. The strategy for preliminary implementation of elenbogen's ''mater as software'' concept
PublicationOpublikowana wcześniej (Molecular Electronics and Molecular Electronic Devices, Vol. 1, Chap. 2, CRC Press, Inc. 1993, pp. 31-83) strategia budowy molekularnych urządzeń ulektronicznych w oparciu o polisilany jest rozszerzona w kierunku koncepcji Ellenbogena ''mater as software'' poprzez rozważenie użycia zamkniętej jednościennej nanorórki jako ostrza STM w celu umożliwienia manipulacji cząsteczkami sililenu.
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Bartosz Rybacki
PeopleA scientist, engineer, graduate of molecular biotechnology, R&D of the Stardust project, coordinator of the AMBER rocket project, member of the Polish Astrobiological Society, Polish Rocketry Association, Innspace Team and PTAstrobio Working Group. Employee of the Blirt S.A.. Ad Astra!
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Expert systems in quality control of manufacturing processes
PublicationThe paper deals with quality control in conditions of computer integrated manufacturing (CIM). It shows that quality of material stream items have to be analyzed on every stage of manufacturing process. Collecting and analyzing quantity of data with usage of expert systems make it possible to create a system for coordination of cell's work. The system contains error recovery algorithm and adaptive control subsystem based on fuzzy...
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Contra Bellum: Bell's Theorem as a Confusion of Languages
PublicationBell's theorem is a conflict of mathematical predictions formulated within an infinite hierarchy of mathematical models. Inequalities formulated at level k ∈ Z are violated by probabilities at level k+1. We are inclined to think that k=0 corresponds to the classical world, while k=1 — to the quantum one. However, as the k=0 inequalities are violated by k=1 probabilities, the same relation holds between k=1 inequalities violated...
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Optimization model of agile team’s cohesion
PublicationTeam’s cohesion is one of the most important factors of IT project execution effectiveness. Optimization of team’s cohesion gives the possibility of reducing the risk of project failure. It also allows to increase the teamwork efficiency and thus optimize time of tasks execution, increase the guarantee of maintaining the scope of the project and the chance of achieving a given level of products quality. This article presents determination...
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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A new assay based on terminal restriction fragment length polymorphism of homocitrate synthase gene fragments for Candida species identification
PublicationCandida sp. have been responsible for an increasing number of infections, especially in patients with immunodeficiency. Species specific differentiation of the Candida sp. is difficult in routine diagnosis. This identification can have a highly significant association in therapy and prophylaxis. This work has shown a new application of terminal restriction fragment length polymorphism (t-RFLP) method in molecular identification...
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Molecularly targeted nanoparticles: an emerging tool for evaluation of expression of the receptor for advanced glycation end products in a murine model of peripheral artery disease
PublicationAbstract Background: Molecular imaging with molecularly targeted probes is a powerful tool for studying the spatio-temporal interactions between complex biological processes. The pivotal role of the receptor for advanced glycation end products (RAGE) in numerous pathological processes, aroused the demand for RAGE targeted imaging in various diseases. In the study, we evaluated the use of a diagnostic imaging agent for RAGE quantification...
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Determination of changes in viscosity of chitosan solutions depending on shear rate.
Open Research DataThe rheological characteristics of chitosan solutions were based on viscosity measurements using a Brookfield viscometer, using LV SC4 - 25 spindles and shear rates from 4 to 53 s-1 (Fig. 1). Chitosan solutions with different molecular weights (low, medium and high) were prepared in concentrations from 1.5 to 3.0% in 0.5M acetic acid. The data allowed...
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Valorization of bio-based polyols synthesized via biomass liquefaction
Open Research DataAs the properties of polyols have a huge impact on the properties of manufactured polyurethanes, this study aims to determine the influence of polyethylene glycols with different molecular masses on the course of the biomass liquefaction process and bio-polyol properties. The obtained polyols were characterized by rheological studies. To confirm the...
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Ligation Mediated PCR methods, their possibilities and limitations
PublicationThe application of molecular diagnostics for bacterial strain typing or identifying bacteria at the strain level is of particular importance at present. However, among the many genotyping methods that are currently available, no single one is universally ideal. In this article, we thus review the Ligation Mediated PCR group methods as prospects from which to choose. We discuss different strategies for selecting the amplified PCR...
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Voltage control in a power system with renewable sources of energy
PublicationIntensive development of distributed generation in power systems, caused by the European Union energy policy, gives possibility for improving safety in power delivery as well as optimizing the costs of the systems functioning. In this context, distributed generation can be used for voltage control in power systems – it can be performed by the control of reactive power of each source of energy or a group of energy sources. This...
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Video analytics-based algorithm for monitoring egress from buildings
PublicationA concept and a practical implementation of the algorithm for detecting of potentially dangerous situations related to crowding in passages is presented. An example of such a situation is a crush which may be caused by an obstructed pedestrian pathway. The surveillance video camera signal analysis performed in the online mode is employed in order to detect hold-ups near bottlenecks like doorways or staircases. The details of the...
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Passing from requirements specification to class model using application domain ontology
PublicationThe quality of a classic software engineering process depends on the completeness of project documents and on the inter-phase consistency. In this paper, a method for passing from the requirement specification to the class model is proposed. First, a developer browses the text of the requirements, extracts the word sequences, and places them as terms into the glossary. Next, the internal ontology logic for the glossary needs to...
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Designing effective educational games - a case study of a project management game
PublicationThis paper addresses the issues of designing effective educational games. We aim at investigating how the cognitive, behavioral and emotional aspects of the games influence their educational effectiveness. The results were obtained with an observational user experience study extended with affect analysis carried out for a project management game GraPM. We analyzed the...
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Vibrational Quenching of Optically Pumped Carbon Dimer Anions
PublicationCareful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...
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Light-Modulated Sunscreen Mechanism in the Retina of the Human Eye
PublicationThe functioning of the human eye in the extreme range of light intensity requires a combination of the high sensitivity of photoreceptors with their photostability. Here, we identify a regulatory mechanism based on dynamic modulation of light absorption by xanthophylls in the retina, realized by reorientation of pigment molecules induced by trans–cis photoisomerization. We explore this photochemically switchable system using chromatographic...
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Transdermal transport of collagen and hyaluronic acid using water in oil microemulsion
PublicationCollagen and hyaluronic acid (HA) are biopolymers that affect the appearance and condition of the skin. Delivery of these compounds into the skin is highly challenging since have a number of disadvantageous properties, such as high molecular weight and hydrophilicity. Here, we evaluated the transdermal penetration of low and high molecular weight collagen and HA from microemulsions. A number of microemulsion formulations, differing...
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Fenomenologia form symbolicznych. Podstawowe pojęcia i inspiracje "późnej" filozofii Ernsta Cassirera
PublicationMonografia rekonstruuje system filozofii Ernsta Casirera w oparciu o nieznane do niedawna teksty jego spuścizny rekopiśmienniczej. Jest pierwszym w języku polskim kompleksowym opracowaniem całości filozofii tego myśliciela.
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublicationWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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Raman spectra for pyrolized natural compounds
Open Research DataThe presented data showcases the results of Raman spectroscopy analysis conducted on pyrolyzed natural compounds both with and without the inclusion of graphene. The study delved into four specific compounds: methylcellulose with lysine (ML), methylcellulose with lysine-graphene composite (MLG), algae (A), and algae-graphene composite (AG). Raman spectra...
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Surface diffusion and cluster formation of gold on the silicon (111)
PublicationPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublicationIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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Video Analytics-Based Algorithm for Monitoring Egress from Buildings
PublicationA concept and practical implementation of the algorithm for detecting of potentially dangerous situations of crowding in passages is presented. An example of such situation is a crush which may be caused by obstructed pedestrian pathway. Surveillance video camera signal analysis performed on line is employed in order to detect hold-ups near bottlenecks like doorways or staircases. The details of implemented algorithm which uses...
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Hybrid Fuzzy-Ontological Project Framework of a Team Work Simulation System
PublicationThe aim of this article is to present the project framework for constructing a Software Process Simulation Modeling (SPSM) system. SPSM systems can be used as a virtual environment for the selection of methods and tools of project management in IT support organizations. The constructed system simulates the Scrum methodology, including the management processes and the project roles. For the implementation of Scrum processes, the...
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High-Speed Serial Embedded Deterministic Test for System-on-Chip Designs
PublicationThe paper presents a high-speed serial interface between external tester and Embedded Deterministic Test (EDT) compression logic hosted by SoC designs. With only a single bidirectional link, the system is capable of feeding distributed heterogeneous cores with hundreds of test channels. Moreover, it synergistically supports EDT bandwidth management to improve the overall test performance. A detailed study indicates a high potential...
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Targeting DNA Topoisomerase II in Antifungal Chemotherapy.
PublicationTopoisomerase inhibitors have been in use clinically for the treatment of several diseases for decades. Although those enzymes are significant molecular targets in antibacterial and anticancer chemotherapy very little is known about the possibilities to target fungal topoisomerase II (topo II). Raising concern for the fungal infections, lack of effective drugs and a phenomenon of multidrug resistance underlie a strong need to expand...
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Mateusz Brodowski
PeopleMateusz Brodowski received his engineer degree in 2019 at the of Chemical Technology with a specialization in Anti-Corrosion Protection Technologies, in his engineer thesis he examined the effectiveness of green corrosion inhibitors. He finished a Master's degree in the field of Mechatronics, realizing the work of creating software for data acquisition from the electrochemical measurement system. Since 2019, he has been working...
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Rhetoric at school - a selection of the syllabi from the Academic Gymnasium in Gdańsk - transcription and photographs
Open Research DataThe following data set comprises a transcription (in txt and docx formats) and photographs (in jpg format) of the selected records from the Latin-language teaching syllabi termed 'Typus' or 'Catalogus lectionum' (an abbreviated title). Rhetoric is the main thematic criterion behind this choice. Various topics related to rhetoric have been taught not...
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Stanowisko laboratoryjne do diagnostyki układów elektronicznych za pomocą mieszanej sygnałowo magistrali testującej.
PublicationPrzedstawiono stanowisko laboratoryjne do testowania układów elektronicznych z wykorzystaniem magistrali testującej mieszanej sygnałowo, zgodnej ze standardem IEEE 1149.4. Stanowisko laboratoryjne zrealizowano w oparciu o wyposażone w magistralę IEEE 1149.4 układy scalone STA400, opracowane przez firmę National Semiconductor i Logic Vision. Sterowanie magistralą odbywa się poprzez kontroler wykonany z wykorzystaniem portu równoległego...
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Stanowisko laboratoryjne do testowania analogowych układów elektronicznych z wykorzystaniem magistrali IEEE 1149.4.
PublicationPrzedstawiono stanowisko laboratoryjne do testowania analogowych układów elektronicznych z wykorzystaniem magistrali testującej mieszanej sygnałowo zgodnej ze standardem IEEE 1149.4. Stanowisko laboratoryjne zorganizowano w oparciu o pierwsze komercyjne układy wyposażone w magistralę IEEE 1149.4 - układy scalone STA400, opracowane przez firmę National Semiconductor i Logic Vision. Sterowanie magistralą odbywa się poprzez kontroler...
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Fuzzy Multi-Regional Fractional PID controller for Pressurized Water nuclear Reactor
PublicationThe paper presents the methodology for the synthesis of a Fuzzy Multi-Regional Fractional Order PID controller (FMR-FOPID) used to control the average thermal power of a PWR nuclear reactor in the load following mode. The controller utilizes a set of FOPID controllers and the fuzzy logic Takagi-Sugeno reasoning system. The proposed methodology is based on two optimization parts. The first part is devoted to finding the optimal...
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Ontologies vs. Rules — Comparison of Methods of Knowledge Representation Based on the Example of IT Services Management
PublicationThis text provides a brief overview of selected structures aimed at knowledge representation in the form of ontologies based on description logic and aims at comparing them with their counterparts based on the rule-based approach. Due to the limitations on the length of the article, only elements associated with the representation of concepts could be shown, without including roles. The formalisms of the OWL language were used...
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Sławomir Milewski prof. dr hab. inż.
PeopleSławomir Milewski, born in 1955 in Puck, Poland, graduated in 1979 in Chemistry from the Faculty of Chemistry, Gdańsk University of Technology (GUT). In 1984 was employed at the Department of Pharmaceutical Technology and Biochemistry. In 1985 he got his PhD, in 1994 became a DSc (habilitation) and in 2002 got the professorship in chemical sciences. Currently he is a full professor and Head of the Department of Pharmaceutical Technology...
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Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublicationAt the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorate Cas9 function is still missing. Here, multimicrosecond molecular dynamics, free energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublicationGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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Why Are Left-Handed G-Quadruplexes Scarce?
PublicationG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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Dissociation of furan-2-carboxylic acid by low energy electrons
PublicationElectron attachment to molecular target can lead to a variety of negative fragment ions. We experi- mentally probe the main dissociative electron attachment channels in furan-2-carboxylic acid (C3H3O2 − COOH) - a molecular target composed of two important structural units: a furan ring and a carboxylic group. In our studies we utilise nearly mono-energetic electrons at electron energies from 0 eV up to 15 eV. Our detection setup...
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Fundamentals of Data-Driven Surrogate Modeling
PublicationThe primary topic of the book is surrogate modeling and surrogate-based design of high-frequency structures. The purpose of the first two chapters is to provide the reader with an overview of the two most important classes of modeling methods, data-driven (or approx-imation), as well as physics-based ones. These are covered in Chap-ters 1 and 2, respectively. The remaining parts of the book give an exposition of the specific aspects...
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Swapping Space for Time: An Alternative to Time-Domain Interferometry
PublicationYoung's double-slit experiment [1] requires two waves produced simultaneously at two different points in space. In quantum mechanics the waves correspond to a single quantum object, even as complex as a big molecule. An interference is present as long as one cannot tell for sure which slit is chosen by the object. The more we know about the path, the worse the interference. In the paper we show that quantum mechanics allows for...
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DYNAMICOL Ultrafast Charge Transfer in ion atom collision investigated by Molecular Quantum Dynamics Methods
ProjectsProject realized in Faculty of Applied Physics and Mathematics according to PERG08-GA-2010-277201 agreement from 2011-02-22
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Establishing the allosteric mechanism in CRISPR‐Cas9
PublicationAllostery is a fundamental property of proteins, which regulates biochemical information transfer between spatially distant sites. Here, we report on the critical role of molecular dynamics (MD) simulations in discovering the mechanism of allosteric communication within CRISPR‐Cas9, a leading genome editing machinery with enormous promises for medicine and biotechnology. MD revealed how allostery intervenes during at least three...
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A modelling approach to the transport support for the harvesting and transportation complex under uncertain conditions
PublicationThe article proposes a modelling approach based on structural and parametric identification of the transport support of the harvesting and transportation complex. The efficiency and effectiveness of the proposed methods of structural and parametric identification for the development of a system for harvesting and transportation complex operation has been proved. A mathematical model based on fuzzy logic has been developed. It reflects...
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Zastosowanie układów testowych STA 400 z magistralą testującą mieszaną sygnałowo IEEE 1149.4 do diagnostyki układów analogowych
PublicationPrzedstawiono wyniki badań nad wykorzystaniem magistrali testującej mieszanej sygnałowo zgodnej ze standardem IEEE 1149.4 do diagnostyki wybranych struktur analogowych. Do badań użyto wyposażonych w magistralę prototypowych układów scalonych typu STA400 opracowanych w końcu 2001 r. w firmie NationalSemiconductor i Logic Vision. Diagnostykę przeprowadzono metodą analityczną opartą na twierdzeniu Tellegena dla 3 i 5-elementowych...
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An Approach to Bass Enhancement in Portable Computers Employing Smart Virtual Bass Synthesis Algorithms
PublicationThe aim of this paper is to present a novel approach to the Virtual Bass Synthesis (VBS) algorithms applied to portable computers. The developed algorithms are related to intelligent, rule-based setting of synthesis parameters according to music genre of an audio excerpt and to the type of a portable device in use. To find optimum synthesis parameters of the VBS algorithms, subjective listening tests based on a parametric procedure...
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Multi-Criteria Knowledge-Based Recommender System for Decision Support in Complex Business Processes
PublicationIn this paper, we present a concept of a multi-criteria knowledge-based Recommender System (RS) designed to provide decision support in complex business process (BP) scenarios. The developed approach is based on the knowledge aspects of Stylistic Patterns, Business Sentiment and Decision-Making Logic extracted from the BP unstructured texts. This knowledge serves as an input for a multi-criteria RS algorithm. The output is prediction...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublicationThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Dynamic mechanical properties and flexing fatigue resistance of tire sidewall rubber as function of waste tire rubber reclaiming degree
PublicationA stepwise downsizing method of gel particles in reclaimed rubber to a micro-nano scale and its excellent dynamic performance in tire sidewall were introduced by this work. The results showed that the size of gel particles decreased from several micrometers to micro-nanometers with the increase of reclaiming degree, accompanied by reduced molecular weight and widened molecular weight distribution of sol fraction. The addition of...
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Identification and cloning of C. albicans SC5314 genes encoding L-methionine biosynthetic pathway enzymes.
Open Research DataEnzymes of fungal L-methionine biosynthetic pathway: homoserine O-acetyltransferase (Met2p), O-acetylhomoserine sulfhydrylase (Met15p) and cystathionine-γ-synthase (Str2p) could be exploited as molecular targets for antifungal chemotherapy. The goal of the study was to identify and clone genes encoding mentioned above enzymes. MET2, MET15 and STR2 genes...