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Wyniki wyszukiwania dla: TRANS–CIS ISOMERIZATION HOST–GUEST INTERACTIONS
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Multiprocessor Implementation of Parallel Multiobjective Genetic Algorithm for Optimized Allocation of Chlorination Stations in Drinking Water Distribution System a New Water Quality Model Approach
PublikacjaThe Critical Infrastructure Systems (CISs) have received in recent years a considerable attention due to their heavy impact on sustainable development of modern societies. Most CISs may be classied as large scale complex systems of network structure, in uenced by strong interactions form the surrounding environment, internal and external interconnections. The later is a result of inter-CIS dependencies. The control, monitoring...
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Supramolecular deep eutectic solvents and their applications
PublikacjaIn recent years, the growing awareness of the harmfulness of chemicals to the environment has resulted in the development of green and sustainable technologies. The compromise between economy and environmental requirements is based on the development of new efficient and green solutions. Supramolecular deep eutectic solvents (SUPRADESs), a new deep eutectic solvent (DES) subclass characterized by inclusion properties, are a fresh...
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublikacjaCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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Improving Accuracy of Respiratory Rate Estimation by Restoring High Resolution Features With Transformers and Recursive Convolutional Models
PublikacjaNon-contact evaluation of vital signs has been becoming increasingly important, especially in light of the COVID- 19 pandemic, which is causing the whole world to examine people’s interactions in public places at a scale never seen before. However, evaluating one’s vital signs can be a relatively complex procedure, which requires both time and physical contact between examiner and examinee. These re- quirements limit the number...
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublikacjaHIV‐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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Synthesis of green benzamide-decorated UiO-66-NH2 for biomedical applications
PublikacjaMetal-organic frameworks (MOFs) biocompatible systems can host enzymes/bacteria/viruses. Herein we synthesized a series of fatty acid amide hydrolase (FAAH)-decorated UiO-66-NH2 based on Citrus tangerine leaf extract for drug delivery and biosensor applications. Five chemically manipulated FAAH-like benzamides were localized on the UiO-66-NH2 surface with physical interactions. Comprehensive cellular and molecular analyses were...
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Chemical Pressure Tuning Magnetism from Pyrochlore to Triangular Lattices
PublikacjaGeometrically frustrated lattices combined with magnetism usually host quantum fluctuations that suppress magnetic orders and generate highly entangled ground states. Three-dimensionally (3D) frustrated magnets generally exist in the diamond and pyrochlore lattices, while two-dimensionally (2D) frustrated geometries contain Kagomé, triangular, and honeycomb lattices. In this work, we reported using chemical pressure to tune the magnetism...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Ćwiczenia audytoryjne z Chemii Organicznej 2021/2022
Kursy OnlineNa ćwiczeniach z Chemii Organicznej przerabiany będzie materiał zaprezentowany na wykładzie obejmujący: alkany i cykloalkany (nazewnictwo, konformacje, reakcje chemiczne), izomeria w związkach organicznych (strukturalna, geometryczna i optyczna), alkeny, alkiny i dieny (nazewnictwo, reakcje chemiczne, otrzymywanie, izomeria cis-trans, reakcje addycji, reguła Markownikowa, przykłady reakcji polimeryzacji, reakcje Dielsa-Aldera),...
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Identification of antigen Ag43 in uropathogenic Escherichia coli Dr+ strains and defining its role in the pathogenesis of urinary tract infections
PublikacjaUrinary tract infections (UTIs) caused by uropathogenic Escherichia coli (UPEC) are among the most common bacterial infectious diseases in the developed world. The urovirulence of UPEC is mainly associated with the surface-exposed fimbrial adhesins and adhesins of the autotransporter (AT) family. The best studied of theses proteins is antigen 43 (Ag43) mediating cell aggregation, adhesion and biofilm development as the causes of...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublikacjaAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Study of Integer Spin S = 1 in the Polar Magnet β-Ni(IO3)2
PublikacjaPolar magnetic materials exhibiting appreciable asymmetric exchange interactions can potentially host new topological states of matter such as vortex-like spin textures; however, realizations have been mostly limited to half-integer spins due to rare numbers of integer spin systems with broken spatial inversion lattice symmetries. Here, we studied the structure and magnetic properties of the S = 1 integer spin polar magnet β-Ni(IO3)2...
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Regulation of LPS assembly via controlled proteolysis and sensing of LPS stress in Escherichia coli
PublikacjaLipopolysaccharide (LPS) is a complex glycolipid, essential for the bacterial viability and along with phospholipids, it constitutes the major amphiphilic component of outer membrane (OM) in most of the Gram-negative bacteria, including Escherichia coli. LPS molecules confer an effective permeability barrier to the OM and play a crucial role in bacteria-environment and -host interactions. The synthesis and accumulation of this...
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Wiktoria Wojnicz dr hab. inż.
OsobyDSc in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2019 PhD in Mechanics (in the field of Biomechanics) - Lodz Univeristy of Technology, 2009 (with distinction) Publikacje z listy MNiSW (2009 - ) Wojnicz W., Wittbrodt E., Analysis of muscles' behaviour. Part I. The computational model of muscle. Acta of Bioengineering and Biomechanics, Vol. 11, No.4, 2009, p. 15-21 Wojnicz W., Wittbrodt E.,...