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Search results for: BOND-ORIENTATIONAL ORDER
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Hydration of Oxometallate Ions in Aqueous Solution
PublicationThe strength of hydrogen bonding to and structure of hydrated oxometallate ions in aqueous solution have been studied by double difference infrared (DDIR) spectroscopy and large-angle X-ray scattering (LAXS), respectively. Anions are hydrated by accepting hydrogen bonds from the hydrating water molecules. The oxygen atom of the permanganate and perrhenate ions form weaker and longer hydrogen bonds to water than the hydrogen bonds...
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Superconductivity in Metal-Rich Chalcogenide Ta2Se
PublicationThe metal–metal bond in metal-rich chalcogenide is known to exhibit various structures and interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (No. 129; Pearson symbol tP6). Each unit cell consists of four layers of body-centered close-packing Ta atoms sandwiched between two square nets of Se atoms, forming...
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Investigation of tetrabutylammonium bromide-glycerol-based deep eutectic solvents and their mixtures with water by spectroscopic techniques
PublicationDeep eutectic solvents (DES) are formed by an acceptor and a donor of hydrogen bonds. They are generally considered as a possible alternative to hazardous organic solvents in various fields. Very recently they have also appeared in analytical chemistry, used mainly for the separation of analytes before instrumental quantification. For the development of new extraction procedures, it is important, among other things, to understand...
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CO2 Separation Using Supported Deep Eutectic Liquid Membranes Based on 1,2-propanediol
PublicationIn this work, deep eutectic solvents (DESs) composed of choline chloride, acetylcholine chloride or tetrabutylammonium chloride, and 1,2-propanediol were used as a liquid phase for polypropylene-based supported liquid membranes (SLMs) and evaluated for the separation of carbon dioxide from CO2/N2 mixtures. Fourier transform infrared spectra were obtained to confirm DES formation, and the thermal stability of solvents was investigated...
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Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes
PublicationThe sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(II) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.
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Hybrid model of geared rotor system
PublicationIn the paper a hybrid model of a geared multirotor system has been developed. The model is obtained by application of both the modal decomposition methodology and the spatial discretization method. Reduced modal model was constructed for the system without gyroscopic and damping effects. The gyroscopic interaction, damping and other phenomena which are difficult to include in the modal approach were modeled by application of simply...
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Visual Detection of People Movement Rules Violation in Crowded Indoor Scenes
PublicationThe paper presents a camera-independent framework for detecting violations of two typical people movement rules that are in force in many public transit terminals: moving in the wrong direction or across designated lanes. Low-level image processing is based on object detection with Gaussian Mixture Models and employs Kalman filters with conflict resolving extensions for the object tracking. In order to allow an effective event...
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Modelling of Mechanical Behaviour of High-Frequency Piezoelectric Actuators Using Bouc-Wen Model
PublicationThe paper presents the application of a modified, symmetrical Bouc-Wen model to simulate a mechanical behaviour of high-frequency piezoelectric actuators (PAs). In order to identify parameters of the model, a two-step algorithm was utilized. In the first stage, the mechanical parameters were identified by taking into account their bilinear variability and using a square input voltage waveform. In the second step, the hysteresis...
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The analysis of the accuracy of spatial models using photogrammetric software: Agisoft Photoscan and Pix4D
PublicationThis article was created as a result of research conducted within the master thesis. The purpose of the measurements was to analyze the accuracy of the positioning of points by computer programs. Selected software was a specialized computer software dedicated to photogrammetric work. For comparative purposes it was decided to use tools with similar functionality. As the basic parameters that affect the results selected the resolution...
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Solvent-Free Synthesis of Phosphonic Graphene Derivative and Its Application in Mercury Ions Adsorption
PublicationFunctionalized graphene was efficiently prepared through ball-milling of graphite in the presence of dry ice. In this way, oxygen functional groups were introduced into material. The material was further chemically functionalized to produce graphene derivative with phosphonic groups. The obtained materials were characterized by spectroscopic and microscopic methods, along with thermogravimetric analysis. The newly developed material...
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Speech codec enhancements utilizing time compression and perceptual coding
PublicationA method for encoding wideband speech signal employing standardized narrowband speech codecs is presented as well as experimental results concerning detection of tonal spectral components. The speech signal sampled with a higher sampling rate than it is suitable for narrowband coding algorithm is compressed in order to decrease the amount of samples. Next, the time-compressed representation of a signal is encoded using a narrowband...
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Effect of Thermal Shock During Legionella Bacteria Removal on the Corrosion Properties of Zinc-Coated Steel Pipes
PublicationThe purpose of this investigation was to conduct the failure analysis of a water-supply system made from zinc-coated steel. The observed corrosion process had an intense and complex character. The brownish deposits and perforations were present after 2-3 years of exploitation. The electrochemical study based on the Tafel polarization, corrosion potential monitoring, and electrochemical impedance spectroscopy together with microscopic...
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2015. Motion analysis of a kitesurfer employing a vision-based measurement system
PublicationAbstract. Kitesurfing is a relatively new phenomenon with rising popularity worldwide – a recently developed extreme watersport considered a high-risk injury sport. It combines elements of several other sports, in particular, sailing, surfing, windsurfing, wakeboarding, and snowboarding. The main purpose of authors’ research in the present paper is to use a vision-based system for measuring a kitesurfer’s body movements in order...
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The concept of streamlining the logistics processs at the company
PublicationThe aim of the article is to present a concept related to the improvement of the logistics process at the company, by the modernisation of the main railway siding of the terminal. The paper present the reasons for the decision that was once made in order to obtain the expected advantages after the modernisation. The comparison of the incurred expenses and the profits that might be gained in the...
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Corrosion Study of Ceria Protective Layer Deposited by Spray Pyrolysis on Steel Interconnects
PublicationSingle fuel cells and electrolysis cells are assembled into stacks using interconnects in order to increase power and gas production capacity. The most common choice for the interconnect material is stainless steel. It has good electrical and mechanical properties and is also cost effective. One of the problems when using steel is the formation of a thermally grown oxide scale during use which has a lower electrical conductivity...
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An interval estimator for chlorine monitoring in drinking water distribution systems under uncertain system dynamics, inputs and chlorine concentration measurement errors
PublicationThe design of an interval observer for estimation of unmeasured state variables with application to drinking water distribution systems is described. In particular, the design process of such an observer is considered for estimation of the water quality described by the concentration of free chlorine. The interval observer is derived to produce the robust interval bounds on the estimated water quality state variables. The stability...
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Methodology of Selecting the Optimal Receptor to Create an Electrochemical Immunosensor for Equine Arteritis Virus Protein Detection
PublicationThe study reports a methodology of selecting the optimal receptor to create an electrochemical immunosensor for equine arteritis virus (EAV) protein detection. The detection was based on antigen recognition by antibodies immobilized on gold electrodes. Modification steps were controlled by electrochemical impedance spectroscopy and cyclic voltammetry measurements. In order to obtain the impedance immunosensor with the best parameters,...
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On the Application of Magnetoacoustic Emission for a Nondestructive Assessment of the Post Welding Heat Treatment of High Chromium Steel Weld Seams
PublicationThe paper analyses the possibility of post weld heat treatment (PWHT) quality assessment with the help of magnetoacoustic emission (MAE) signal measurements. Two welded superheater tubes, made of high chromium VM12 steel, were analysed—as welded and heat treated one. The analysed sample in the as welded state exhibited significantly higher hardness, accompanied by a big difference in the MAE signal intensity (of order of about...
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A Circular Waveguide Dual-Mode Filter With Improved Out-of-Band Performance for Satellite Communication Systems
PublicationThis letter presents a novel design for a 3-D-printed circular waveguide dual-mode (CWDM) filter with a modified cavity shape. The modification leads to a wide spurious-free stopband, which is highly desirable for channel separation in waveguide contiguous output multiplexers (OMUXs) in satellite communication systems. The new resonant cavity design is a result of applying shape deformation to a basic circular cavity in order to...
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Localization Factors for Outsourcing and Offshoring Projects in the V4 Countries. An Attempt of Initial Investigation
PublicationMain objective of this paper is to present the conditions for the investors in the context of outsourcing or offshoring provided by V4 countries in order to present similarities and opposites between analyzed countries and to identify good and bad sides of investing in particular Visegrad group country.
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Discrete and continuous fractional persistence problems – the positivity property and applications
PublicationIn this article, we study the continuous and discrete fractional persistence problem which looks for the persistence of properties of a given classical (α=1) differential equation in the fractional case (here using fractional Caputo’s derivatives) and the numerical scheme which are associated (here with discrete Grünwald–Letnikov derivatives). Our main concerns are positivity, order preserving ,equilibrium points and stability...
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Optical profilometer
PublicationThe profilometry plays a huge role in the most fields of science and technology. It allows to measure the profile of the surface with high-resolution. This technique is used in the fields like optic, electronic, medicine, automotive, and much more. The aim of the current work was to design and build optical profilometer based on the interference phenomena. The developed device has been working with He-Ne laser (632.8 nm). The optical...
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Modeling and Accuracy Assessment of Determining the Coastline Course Using Geodetic, Photogrammetric and Satellite Measurement Methods: Case Study in Gdynia Beach in Poland
PublicationThe coastal environment represents a resource from both a natural and economic point of view, but it is subject to continuous transformations due to climate change, human activities, and natural risks. Remote sensing techniques have enormous potential in monitoring coastal areas. However, one of the main tasks is accurately identifying the boundary between waterbodies such as oceans, seas, lakes or rivers, and the land surface....
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The Interaction of Heptakis (2,6-di-O-Methyl)-β-Cyclodextrin with Mianserin Hydrochloride and Its Influence on the Drug Toxicity
PublicationOne tetracyclic antidepressant, mianserin hydrochloride (MIA), has quite significant side effects on a patients’ health. Cyclodextrins, which are most commonly used to reduce the undesirable features of contained drugs within their hydrophobic interior, also have the potential to alter the toxic behavior of the drug. The present paper contains investigations and the characteristics of interaction mechanisms for MIA and the heptakis...
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Solar Photovoltaic Energy Optimization and Challenges
PublicationThe study paper focuses on solar energy optimization approaches, as well as the obstacles and concerns that come with them. This study discusses the most current advancements in solar power generation devices in order to provide a reference for decision-makers in the field of solar plant construction throughout the world. These technologies are divided into three groups: photovoltaic, thermal, and hybrid (thermal/photovoltaic)....
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Improving the Accuracy of Automatic Reconstruction of 3D Complex Buildings Models from Airborne Lidar Point Clouds
PublicationDue to high requirements of variety of 3D spatial data applications with respect to data amount and quality, automatized, effcient and reliable data acquisition and preprocessing methods are needed. The use of photogrammetry techniques—as well as the light detection and ranging (LiDAR) automatic scanners—are among attractive solutions. However, measurement data are in the form of unorganized point clouds, usually requiring transformation...
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Investigation of electrocatalytic gas sensor properties in presence of chlorine
PublicationProperties of sensor based on Nasicon with two round shaped platinum electrodes are investigated. Influence of different chlorine concentrations on the sensor response is presented. Measurements in different temperatures have been performed in order to determine optimal sensor working temperature.
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Relativistic two-dimensional hydrogen-like atom in a weak magnetic field
PublicationA two-dimensional (2D) hydrogen-like atom with a relativistic Dirac electron, placed in a weak, static, uniform magnetic field perpendicular to the atomic plane, is considered. Closed forms of the first- and second-order Zeeman corrections to energy levels are calculated analytically, within the framework of the Rayleigh–Schrödinger perturbation theory, for an arbitrary electronic bound state. The second-order calculations are...
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The applicability of low-cost PM10 sensors for atmospheric air quality monitoring
PublicationDescribed in this work are the results of field tests carried out in the Tricity Agglomeration between 01 April 2018 and 30 June 2018 in order to evaluate the usefulness of low-cost PM10 sensors in atmospheric air quality monitoring. The results were juxtaposed with the results obtained using reference methods. The results were validated based on the measurement uncertainty as described in...
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Vibro-Electrical Behavior of a Viscoelastic Piezo-Nanowire in an Elastic Substrate Considering Stress Nonlocality and Microstructural Size-Dependent Effects
PublicationThis research deals with dynamics response of a Pol/BaTiO3 nanowire including viscosity influences. The wire is also impressed by a longitudinal electric field. Hamilton's principle and Lagrangian strains are employed in conjunction with a refined higher-order beam theory in order to derive equations of motion. By combining nonlocality and small size...
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Methodology of Selecting the Optimal Receptor to Create an Electrochemical Immunosensor for Equine Arteritis Virus Protein Detection
PublicationThe study reports a methodology of selecting the optimal receptor to create an electrochemical immunosensor for equine arteritis virus (EAV) protein detection. The detection was based on antigen recognition by antibodies immobilized on gold electrodes. Modification steps were controlled by electrochemical impedance spectroscopy and cyclic voltammetry measurements. In order to obtain the impedance immunosensor with the best parameters,...
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Higher harmonics of the intensity modulated Photocurrent/Photovoltage spectroscopy response - a tool for studying photoelectrochemical nonlinearities
PublicationIn this work, a higher harmonic analysis (HHA) of the intensity modulated photocurrent/photovoltage (IMPS/IMVS) spectroscopy data is proposed as a potent tool for studying nonlinear phenomena in photoelectrochemical and photovoltaic systems. Analytical solutions of kinetic equations were constructed for cases of single and double resonance accounting for various sources of higher harmonics. These sources correspond to the physical...
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Comparison of various speech time-scale modificartion methods
PublicationThe objective of this work is to investigate the influence of the different time-scale modification (TSM) methods on the quality of the speech stretched up using the designed non-uniform real-time speech time-scale modification algorithm (NU-RTSM). The algorithm provides a combination of the typical TSM algorithm with the vowels, consonants, stutter, transients and silence detectors. Based on the information about the content and...
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Analiza nośności granicznej losowego podłoża pod fundamentem metodami pierwszego rzędu
PublicationPraca dotyczy opisu i analizy losowego ośrodka gruntowego metodami pierwszego rzędu. W ujęciu probabilistycznym, efektywną i prostą w użyciu jest tu metoda estymacji momentów, znana jako FOSM (First Order Second Moment). Z kolei w ramach teorii niezawodności konstrukcji, jednym z najskuteczniejszych sposobów analizy jest metoda FORM (First Order Reliability Method). W pracy, krótko omówione obydwie metody i zastosowano je do analizy...
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Influence of Antimony Substitution on Spontaneous Strain and Thermodynamic Stability of Lanthanum Orthoniobate
PublicationThe analysis of the antimony substitution influence on temperature dependence of unit cell distortion has been done. The values of spontaneous strain and Landau order parameter for three different antimony contents varied had been calculated. The phase transition occurring for antimony substituted lanthanum orthoniobate was found to be second order. The high temperature solution calorimetry method has been used to investigate...
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Inline Microwave Filters With N+1 Transmission Zeros Generated by Frequency-Variant Couplings: Coupling-Matrix-Based Synthesis and Design
PublicationA general coupling-matrix-based synthesis methodology for inline Nth-order microwave bandpass filters (BPFs) with frequency-variant reactive-type couplings that generate N+1 transmission zeros (TZs) is presented in this brief. The proposed approach exploits the formulation of the synthesis problem as three inverse nonlinear eigenvalue problems (INEVPs) so that the coupling matrix is built from their sets of eigenvalues. For this...
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A convergence result for mountain pass periodic solutions of perturbed Hamiltonian systems
PublicationIn this work, we study second-order Hamiltonian systems under small perturbations. We assume that the main term of the system has a mountain pass structure, but do not suppose any condition on the perturbation. We prove the existence of a periodic solution. Moreover, we show that periodic solutions of perturbed systems converge to periodic solutions of the unperturbed systems if the perturbation tends to zero. The assumption on...
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The dynamic signature verification using population-based vertical partitioning
PublicationThe dynamic signature is an attribute used in behavioral biometrics for verifying the identity of an individual. This attribute, apart from the shape of the signature, also contains information about the dynamics of the signing process described by the signals which tend to change over time. It is possible to process those signals in order to obtain descriptors of the signature characteristic of an individual user. One of the methods...
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Electromagnetic forced vibrations of composite nanoplates using nonlocal strain gradient theory
PublicationThis article is intended to analyze forced vibrations of a piezoelectric-piezomagnetic ceramic nanoplate by a new refined shear deformation plate theory in conjunction with higher-order nonlocal strain gradient theory. As both stress nonlocality and strain gradient size-dependent effects are taken into account using the higher-order nonlocal strain gradient theory, the governing equations of the composite nanoplate are formulated....
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublicationHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublicationA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Determination of binder-aggregate adhesion by contact angle measurement
PublicationThe key factor in asphalt pavement durability, especially in the presence of water, is adhesion of the bituminous binder to mineral aggregates. There are currently no standard laboratory test procedures that can quickly and accurately measure the strength of the interaction (bond) between the binder and aggregate. In this regard, to evaluate the adhesion force measurements based on the contact angle between the binder and the aggregate...
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Optimization of Chemical Functionalities of Indole-2-carboxamides To Improve Allosteric Parameters for the Cannabinoid Receptor 1 (CB1)
Publication5-Chloro-3-ethyl-N-(4-(piperidin-1-yl)phenethyl)-1H-indole-2-carboxamide (1; ORG27569) is a prototypical allosteric modulator for the cannabinoid type 1 receptor (CB1). Here, we reveal key structural requirements of indole-2-carboxamides for allosteric modulation of CB1: a critical chain length at the C3-position, an electron withdrawing group at the C5-position, the length of the linker between the amide bond and the phenyl ring...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublicationIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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Crystal structures of the DsbG disulfide isomerase reveal an unstable disulfide
PublicationDsb proteins control the formation and rearrangement of disulfide bonds during the folding of secreted and membrane proteins in bacteria. DsbG, a member of this family, has disulfide bond isomerase and chaperone activity. Here, we present two crystal structures of DsbG at 1.7- and 2.0-Angstrom resolution that are meant to represent the reduced and oxidized forms, respectively. The oxidized structure, however, reveals a mixture...