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Wyniki wyszukiwania dla: atom-molecule interaction
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Efficient synthesis and antifungal investigation of nucleosides’ quaternary ammonium salt derivatives
PublikacjaQuaternary ammonium salts are a group of compounds with diverse biological properties, the most important of which are their antiviral, antibacterial, and antifungal activities. The quaternization reactions of 5'-O-tosyl derivatives of uridine and thymidine with triethylamine, trimethylamine, 4-(N ,N -dimethylamino)pyridine, 2-methylpyridine, and pyridine are described in this article. Two of the synthesized compounds are exceptional...
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Study of the atomic structure and morphology of the Pt3Co nanocatalyst
PublikacjaThe local structure and chemical disorder of a commercially available Pt3Co nanocatalyst supported on high surface area carbon were investigated. High-quality XAFS spectra were collected at the ELETTRA synchrotron XAFS 11.1 beamline. XAFS spectra analysis have been performed accounting for the reduction of the coordination number and degeneracy of three-body configurations, resulting from transmission electron microscopy (TEM)...
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Manganese(II) tri-tert-butoxysilanethiolate complexes with imidazole based coligands. A neutral complex with four independent ligands and MNOS2 core (M=Mn) related to the liver alcohol dehydrogenase catalytic center (M=Zn)
PublikacjaReakcja silanotiolanu manganu(II) z imidazolem oraz dwiema jego metylowymi pochodnymi prowadzi do uzyskania kompleksów heteroleptycznych o różnym typie. Gdy do syntez wykorzystano 2-metyloimidazol uzyskano związek zawierający w komórce elementarnej dwie różniące się od siebie cząsteczki, powiązane wiązaniami wodorowymi typu N-H…S. W jednej z tych molekuł centralny atom manganu jest skoordynowany z czterema ligandami: dwoma podstawnikami...
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Analytical eco-scale for assessing the greenness of analytical procedures
PublikacjaWe propose the analytical eco-scale as a novel comprehensive approach to evaluating the greenness of analytical methodology. It is based on assigning penalty points to parameters of an analytical process that are not in agreement with the ideal green analysis. This approach compares different parameters and different steps of the analytical process. Traditional green chemistry metrics 9e.g. Atom Economy, E-factor and Reaction Mass...
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Modelowanie i symulacja dynamiki ruchu trakcyjnego odbieraka prądu
PublikacjaW artykule przedstawiono dwa modele matematyczne kolejowych odbieraków prądu. Model podstawowy opracowano na podstawie analizy konstrukcji odbieraka ze stopniami swobody w ruchu obrotowym i postępowym. Drugi tzw. model zastępczy ma obydwa stopnie swobody w ruchu postępowym. Przedstawiono prosty sposób wyznaczenia wartości parametrów modelu zastępczego na podstawie wyników symulacji modelu odbieraka podstawowego. Model zastępczy,...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublikacjaThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublikacjaWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities
PublikacjaThe sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to the vibrational coordinates. The method is applied to the molecule of 1,3-butadiene using density functional theory calculations. It is found that the second-order HT effects are significant...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublikacjaMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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Instantaneous impedance monitoring of synergistic effect between cavitation erosion and corrosion processes
PublikacjaThe most common method of determination of cavitation erosion resistance as well as the magnitude of erosion-corrosion synergistic interaction is based on the weight loss measurements. Nondestructive characterization of installations elements is in most cases impossible to perform. Also, such a measurement does not include local types of failure or alteration of operating conditions. There is an urge to elaborate a method for monitoring...
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Thermal Buckling Analysis of Circular Bilayer Graphene sheets Resting on an Elastic Matrix Based on Nonlocal Continuum Mechanics
PublikacjaIn this article, the thermal buckling behavior of orthotropic circular bilayer graphene sheets embedded in the Winkler–Pasternak elastic medium is scrutinized. Using the nonlocal elasticity theory, the bilayer graphene sheets are modeled as a nonlocal double–layered plate that contains small scale effects and van der Waals (vdW) interaction forces. The vdW interaction forces between the layers are simulated as a set of linear springs...
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The effect of ionic liquids on the surface and photocatalytic properties of semiconducting materials
PublikacjaSemiconductor-mediated photocatalysis represents an environmentally friendly technology that could be used for the degradation of different pollutants in the gas and aqueous phases, for hydrogen generation, and for CO2-to-valuable product transformation reactions. Therefore, it is extremely important to accurately design a photocatalyst with the relevant features. In recent years, ionic liquids have often been employed as reagents...
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Simple method for preparation of Dialkyl (2,3-dihydro-1,3-thiazol-2-yl)-phosphonates
PublikacjaAbstract A simple synthesis of dialkyl (2,3-dihydro-1,3-thiazol-2-yl)-phosphonates from thiazoliumsalts and trialkyl phosphites is described. The series of dialkyl (2,3-dihydro-1,3-thiazol-2-yl)-phosphonates with various substituents in positions 3, 4, and 5 of the thiazole ring wereprepared. However, only phosphonates with an aryl on the nitrogen atom were stable enoughfor chromatographic purification, although all the new phosphonates...
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Syntheses and crystal structures of lithium derivatives of diphosphanes R2P-P(SiMe3)Li·3L, R = Ph, iPr and iPr2N, L = THF or DME
PublikacjaW wyniku reakcji R2P-P(SiMe3)2 z BuLi w THF lub DME powstają pochodne litowe difosfanów R2P-P(SiMe3)Li·3L. Dla R = iPr oraz iPr2N powstają sole R2P-P(SiMe3)Li·3THF, w których atom litu jest czterokrotnie koordynowany a dla R = Ph powstaje sól [Li·3DME]+[Ph2P-PSiMe3]-, która posiada budowę jonową. W reakcji BuLi z Ph2P-P(SiMe3)2 powstają znaczne ilości produktów ubocznych: Ph2P-PPh2 i LiP(SiMe3)2.
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9-(Trichloroacetylimino)acridine monohydrate
PublikacjaThe title compound, alternatively called N-acridin-9(10H)-ylidene-2,2,2-trichloroacetamide monohydrate, C15H9Cl3N2O·H2O, crystallizes in space group P21/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)° relative to the ac plane, while adjacent molecules pack in a head-to-tail manner. Acridine and water molecules form columns along the b axis held in place by a network of hydrogen...
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Mixed, quantum-classical description of electron density transfer in the collision process
PublikacjaIn this work, we investigate an ion-atom model describing the time-dependent evolution of electron density during the collision. For a S3+- H system, numerical simulations are based on classical trajectory calculations, and the electron density behaviour is described with the time-dependent Schrödinger equation. We apply the finite difference method to obtain quantitative insights into the charge transfer dynamics, providing detailed...
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Stateczność i niezawodność pełnomorskich platform wiertniczych
PublikacjaW pracy przedstawiono wieloletnie doświadczenia Autora w zakresie wybranych aspektów numerycznej analizy pełnomorskich platform wiertniczych, w szczególności stacjonarnych platform stalowych poddanych działaniu fal wiatrowych i wiatru. W opisie zachowania się platform uwzględniono współoddziaływanie trzech ośrodków: materiału konstrukcji, morskich fal wiatrowych i podłoża gruntowego. Przyjęcie do opisu stochastycznych właściwości...
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Facial Feature extraction from a monochromatic picture
PublikacjaFace pose determination represents an important area of research in Human Machine Interaction. In this paper, I describe a new method of extracting facial feature locations from a single monochromatic monocular camera for the purpose of estimating and tracking the three dimensional pose of human face and eye-gaze direction.
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Facial feature extraction from a monochromatic picture.
PublikacjaFace pose determination represents an important area of research in Human Machine Interaction. In this paper, I describe a new method of extracting facial feature locations from a single monochromatic monocular camera for the purpose of estimating and tracking the three dimensional pose of human face and eye-gaze direction.
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublikacjaDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
PublikacjaIn this paper we report new quantum calculations of the dynamics for low-energy positrons interacting with gaseous molecules of tetrahydrofuran. The new quantum scattering cross sections are differential and integral cross sections at collision energies between 1.0 and 25.0 eV and include a careful treatment of the additional effects on the scattering process brought about by the permanent dipole moment of the target molecule....
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Gold nanocubic structures functionalization with organic layers
Dane BadawczeThis dataset contains the XPS spectra obtained for gold nanocubes (AuNC), which were deposited at the gold electrode surface and dried. The AuNC's were first functionalized with either cysteamine in EtOH or mercaptopropionic acid in EtOH. The concentration of these compounds was 20 mM. The interaction of the functionalized with the AuNC surface was...
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PULSE and ECG measurement from the hand with single fingers - elbows resting on the armrests of the chair - Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with standing - hands resting on the device - Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows in the air - Woman 27 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with standing - hands resting on the device - Woman 27 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with standing - hands resting on the device - Woman 28 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the table top - Second Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with single fingers - elbows resting on the armrests of the chair - Second Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the armrests of the chair - Woman 28 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows in the air - Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the table top - Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with single fingers - elbows resting on the armrests of the chair - Woman 27 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the armrests of the chair - Second Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows to the body - Woman 27 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the table top - Woman 28 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows in the air - Second Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with standing - hands resting on the device - Second Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows to the body - Second Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows to the body - Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the armrests of the chair - Man 29 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows to the body - Woman 28 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with single fingers - elbows resting on the armrests of the chair - Woman 28 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the table top - Woman 27 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows in the air - Woman 28 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the armrests of the chair - Woman 27 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows to the body - Woman 24 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the armrests of the chair - Woman 30 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...
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PULSE and ECG measurement from the hand with elbows resting on the table top - Man 30 age
Dane BadawczeThe data set presents the measurements of the pulse and the ECG signal from the hand made with the use of a proprietary measuring system based on the AD8232 chip, a set of green diode and a phototransistor made on the STM32 microcontroller. Thanks to such a constructed device, it is possible to measure the ECG signal in a non-standard way - from the...