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wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: COVID-19 MOLECULAR DOCKING MULTI-EPITOPES VACCINESMM-PBSA/MM-GBSA ANALYSIS SARS-COV-2 VARIANTS
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Dissociation of 2-oxopropanoic acid by low energy electrons
PublikacjaElectron attachment to molecular target can lead to a variety of negative fragment ions. We experimentally probe the main dissociative electron attachment (DEA) channels in 2-oxopropanoic acid (CH3 - CO - COOH) - an important trace component in the Earth's atmosphere. In our studies we utilise nearly mono-energetic electrons at electron energies from 0 eV up to 15 eV.
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Investigating the current environmental situation in the Middle East and North Africa (MENA) region during the third wave of COVID-19 pandemic: urban vs. rural context
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Attitudes toward Receiving COVID-19 Booster Dose in the Middle East and North Africa (MENA) Region: A Cross-Sectional Study of 3041 Fully Vaccinated Participants
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Attitudes toward Receiving COVID-19 Booster Dose in the Middle East and North Africa (MENA) Region: A Cross-Sectional Study of 3041 Fully Vaccinated Participants
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2-bondage in graphs
PublikacjaA 2-dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of V(G)D has at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. The 2-bondage number of G, denoted by b_2(G), is the minimum cardinality among all sets of edges E' subseteq E such that gamma_2(G-E') > gamma_2(G). If for every E' subseteq E we have...
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Synthesis of 3-(2-Alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2-enylideneamino)guanidine Derivatives with Pro-Apoptotic Activity against Cancer Cells
PublikacjaThe untypical course of reaction between chalcones and benzenesulfonylaminoguanidines led to the new 3-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-2-(1-phenyl-3-arylprop-2- enylideneamino)guanidine derivatives 8–33. The new compounds were tested in vitro for their impact on the growth of breast cancer cells MCF-7, cervical cancer cells HeLa and colon cancer cells HCT-116 by MTT assay. The results revealed that the activity of...
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Deep neural networks for data analysis
Kursy OnlineThe aim of the course is to familiarize students with the methods of deep learning for advanced data analysis. Typical areas of application of these types of methods include: image classification, speech recognition and natural language understanding. Celem przedmiotu jest zapoznanie studentów z metodami głębokiego uczenia maszynowego na potrzeby zaawansowanej analizy danych. Do typowych obszarów zastosowań tego typu metod należą:...
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Molecular Physics Reports
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Daylight evaluation for multi-family housing in Poland
PublikacjaThis PhD dissertation focuses on methods of daylight appraisal useful in the design of the contemporary multifamily housing. The theoretical part of the thesis offers a review of daylight indicators, evaluations methods and tools within the built environment. It covers a review of daylight recommendations found in building standards and other normative documents affecting the design of the residential spaces. A pilot work survey...
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Exploiting multi-interface networks: Connectivity and Cheapest Paths
PublikacjaLet G = (V,E) be a graph which models a set of wireless devices (nodes V) that can communicate by means of multiple radio interfaces, according to proximity and common interfaces (edges E). The problem of switching on (activating) the minimum cost set of interfaces at the nodes in order to guarantee the coverage of G was recently studied. A connection is covered (activated) when the endpoints of the corresponding edge share at...
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Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
PublikacjaHyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...
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Ranking of Generation Source Locations by a Hybrid Multi-Criteria Method
PublikacjaThe paper presents a ranking of the locations of eight renewable energy sources (RES) made using a hybrid multi-criteria analysis method. The method is a combination of the analytical hierarchical process (AHP) method and numerical taxonomy. The considered generating sources, i.e. solar plants, biogas plants, and wind farms are sources that will significantly contribute to implementing the provisions of the energy and climate package...
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The effect of chitosan concentration and molecular weight on endotoxin content
Dane BadawczeThe dataset includes results to determine the effect of chitosan concentration and molecular weight on endotoxin content as well as the effect of purification methods. The endotoxin concentration was determined using the PyroGene Recombinant Factor C Endpoint Fluorescent Assay. Chitosan 0.6% in 0.1M glycolic acid from Chemat LMW, MMW, and HMW were used...
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WCh - TCh - Matematyka 2 2018/19 (H.Guze)
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WCh - GTM - Mathematics 2 2018/19 (H.Guze)
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Ewolucyjne planowanie bezpiecznych trajektorii statków oparte na zmodyfikowanym diagramie Cockcrofta.
PublikacjaArtykuł przedstawia kontynuację badań autora nad planowaniem bezpiecznych trajektorii statków za pomocą algorytmów ewolucyjnych. Prezentowana metoda poszukuje optymalnego zbioru bezpiecznych trajektorii wszystkich statków biorących udział w spotkaniu. Bieżąca wersja metody zakłada ograniczoną widoczność i obowiązywanie Prawidła 19 Międzynarodowych Przepisów o Zapobieganiu Zderzeniom na Morzu (MPZZM) zamiast Prawideł 11 – 18. Artykuł...
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Reactions of R<sub>2</sub>P-P(SiMe<sub>3</sub>)Li with [(R'<sub>3</sub>P)<sub>2</sub>PtCl<sub>2</sub>]. A General and Efficient Entrance to Phosphanylphosphinidene Complexes of Platinum. Syntheses and Structures of [(η<sub>2</sub>-P=P<sup>i</sup>Pr<sub>2</sub>)Pt(p-Tol<sub>3</sub>P)<sub>2</sub>], [(η<sub>2</sub>-P=P<sup>t</sup>Bu<sub>2</sub>)Pt(p-Tol<sub>3</sub>P)<sub>2</sub>], [{η<sub>2</sub>-P=P(N<sup>i</sup>Pr<sub>2</sub>)2}Pt(p-Tol<sub>3</sub>P)<sub>2</sub>] and [{(Et<sub>2</sub>PhP)<sub>2</sub>Pt}<sub>2</sub>P<sub>2</sub>].
PublikacjaReakcje pochodnych litowych difosfanów R2P-P(SiMe3)Li z (R'3P)2PtCl2 zachodzą łatwo i prowadzą do wytworzenia bocznie (side-on) związanych fosfanofosfinidenowych kompleksów platyny [(η2-P=PR2)Pt(PR'3)2] (dla R=tBu, iPr, Et2N, iPr2N). Reakcja Ph2P-P(SiMe3)Li...
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Multi-layered mineral glass units used as viewport elements of underwater ship structures
PublikacjaIn the paper, Authors deals with viewport elements of underwater marine constructions. If a single-plate viewport constructions are considered, big thicknesses of the glass plate are required to resist the pressure. To build the viewports from the commercially accessible glass panes, multi-layered glass units are proposed in the paper. Numerical calculations are presented, summarized and compared with experimental tests. Focusing...
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Janusz Datta prof. dr hab. inż.
OsobyJanusz Datta w roku 1988 ukończył studia na Wydziale Chemicznym Politechniki Gdańskiej. Po ich zakończeniu został zatrudniony na Wydziale Chemicznym w Zakładzie, a potem po reorganizacji, w Katedrze Technologii Polimerów, gdzie przez sześć lat pracował na stanowisku naukowo-technicznym. W tym okresie zdobywał doświadczenie uczestnicząc w licznych wyjazdach do Zakładów Chemicznych „Zachem” Bydgoszcz, gdzie brał udział w pracach...
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Scattering of electrons from 1-butene, H2C=CHCH2CH3, and 2-methylpropene,H2C=C(CH3)2, molecules
PublikacjaZmierzono, wykorzystując liniową technikę transmisyjną, całkowite absolutne przekroje czynne (TCS) na rozpraszanie elektronów na cząsteczce 1-butenu (H2C=CHCH2CH3) oraz 2-metylpropene (H2C=C(CH3)2) w zakresie energii padających elektronów, od 1 do 400 eV oraz od 1 do 350 eV. Kształt przekroju czynnego dla obu badanych izomerów butenu jest podobny. Dwie struktury w uzyskanych krzywych TCS, są wyraźnie widoczne: mały pik w okolicy...
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Systematic Management of Simulation State for Multi-Branch Simulations in Simulink
PublikacjaSystematic simulation is a technique related and motivated by the formal analysis of hybrid dynamic systems. It combines the exhaustive and conservative nature of traditional model checking with numerical simulation for providing efficient algorithms to manage simulations. Multi-branch simulation is the concept advancing simulation efficiency by reducing the number of state transitions. This paper introduces an approach to implement...
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Dissociation of furan-2-carboxylic acid by low energy electrons
PublikacjaElectron 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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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublikacjaIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublikacjaMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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N-alkyl derivatives of 2-amino-2-deoxy-D-glucose
PublikacjaMono- i di-N-alkilowe pochodne 1,3,4,6-tetra-O-acetylo-2-amino-2-deoksy-beta-D-glukozy (alkil = metyl, etyl, propyl, butyl, pentyl, heksyl, benzyl) otrzymano w wyniku redukcyjnej alkilacji per-O-acetylo-D-glukozaminy. (N-etylo, N-propylo, N-butylo, N-pentylo, N-heksylo)-1,3,4,6-tetra-O-acetylo-2-amino-2-deoksy-beta-D-glukozy deacetylowano w celu podjęcia prób enzymatycznej fosforylacji. Wszystkie produkty scharakteryzowano za pomocą...
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Multi-task Video Enhancement for Dental Interventions
PublikacjaA microcamera firmly attached to a dental handpiece allows dentists to continuously monitor the progress of conservative dental procedures. Video enhancement in video-assisted dental interventions alleviates low-light, noise, blur, and camera handshakes that collectively degrade visual comfort. To this end, we introduce a novel deep network for multi-task video enhancement that enables macro-visualization of dental scenes. In particular,...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublikacjaSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Measurements of photoionization of mercury atoms into the 6s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 ionic states over the energy range from 10.5 eV to 18.7 eV
PublikacjaPhotoionization of mercury atoms into the three lowest ionic states, 5d106s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 has been studied in the photon energy ranges from their respective thresholds to 18.7 eV. The photoionization spectra were obtained with high energy resolution at an angle of 0° with respect to the polarization vector of the photon beam. The high energy resolution and sensitivity achieved in the measurements permitted...
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Optimization of Hydrogen - Evolving Photochemical Molecular Devices
PublikacjaA molecular photocatalyst consisting of a RuII photocenter, a tetrapyridophenazine bridging ligand, and a PtX2 (X=Cl or I) moiety as the catalytic center functions as a stable system for light-driven hydrogen production. The catalytic activity of this photochemical molecular device (PMD) is significantly enhanced by exchanging the terminal chlorides at the Pt center for iodide ligands. Ultrafast transient absorption spectroscopy...
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Selection of Visual Descriptors for the Purpose of Multi-camera Object Re-identification
PublikacjaA comparative analysis of various visual descriptors is presented in this chapter. The descriptors utilize many aspects of image data: colour, texture, gradient, and statistical moments. The descriptor list is supplemented with local features calculated in close vicinity of key points found automatically in the image. The goal of the analysis is to find descriptors that are best suited for particular task, i.e. re-identification...
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Modeling of effect of plastic deformation on Barkhausen noise and magnetoacoustic emission in iron with 2% silicon
PublikacjaW modelowaniu zaadaptowano model Alessandro-Beatrice-Bertotti-Montorsi dla opisu ruchu granic nie-180 stopniowych oraz model Jiles-Atherton dla opisu wpływu plastycznej deformacji na natężenie efektu Barkhausena oraz emisji magnetoakustcznej.
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublikacjaWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Multi-DBD actuator with floating interelectrode for aerodynamic control
PublikacjaIn this paper the use of a floating inter-electrode in a multi-DBD (dielectric barrier discharge) plasma actuator is described. The multi-DBD plasma actuators with floating inter-electrodes were investigated to get a longer DBD on a dielectric surface and to maximise generated net airflow. Our actuator was used to control the boundary layer flow separation around NACA0012 airfoil model. The results of our investigations suggests...
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Improving Output Performance of the Ultrasonic Multicell Piezoelectric Motor by Development the Multi-Rotor Structure
PublikacjaIn recent years, many researches have been carried out on piezoelectric multi-rotor structures. This paper describes the analysis, development and experimental process of an ultrasonic multi-cell piezoelectric motor using a multi-rotor structure. In this design, three independent cells have been integrated into a mechatronic system. Analytical model and finite element method are used for modal and dynamic analysis of the proposed...
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Encapsulation of Amikacin into Microparticles Based on Low-Molecular-Weight Poly(lactic acid) and Poly(lactic acid-co-polyethylene glycol)
PublikacjaThe aim of this study was to fabricate novel microparticles (MPs) for efficient and long-term delivery of amikacin (AMI). The emulsification method proposed for encapsulating AMI employed low-molecular-weight poly(lactic acid) (PLA) and poly(lactic acid-co-polyethylene glycol) (PLA−PEG), both supplemented with poly(vinyl alcohol) (PVA). The diameters of the particles obtained were determined as less than 30 μm. Based on an in-vitro...
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Molecular Targets for Anticandidal Chemotherapy
PublikacjaA relatively small number of anticandidal chemotherapeutics used in clinical practice is at least in part consequence of a limited number of their molecular targets: ergosterol in the membrane, lanosterol demethylase, b(1!3) glucan synthase, and DNA/RNA biosynthesis. Much more potential novel targets have been revealed by the comparative genomic studies identifying essential genes unique for Candida albicans or resulted from recognition...
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Cloning, expression in Komagataella phaffii, and biochemical characterization of recombinant sequence variants of Pseudomonas sp. S9 GDSL-esterase
PublikacjaTwo recombinant Komagataella phaffii (formerly Pichia pastoris) yeast strains for production of two sequential variants of EstS9 esterase from psychrotolerant bacterium Pseudomonas sp. S9, i.e. αEstS9N (a two-domain enzyme consisting of a catalytic domain and an autotransporter domain) and αEstS9Δ (a single-domain esterase) were constructed. However, only one of recombinant K. phaffii strains, namely Komagataella phaffii X-33/pPICZαestS9Δ,...
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Shared multi-processor scheduling
PublikacjaWe study shared multi-processor scheduling problem where each job can be executed on its private processor and simultaneously on one of many processors shared by all jobs in order to reduce the job’s completion time due to processing time overlap. The total weighted overlap of all jobs is to be maximized. The problem models subcontracting scheduling in supply chains and divisible load scheduling in computing. We show that synchronized...
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Design and Implementation of Multi-Band Reflectarray Metasurface for 5G Millimeter Wave Coverage Enhancement
PublikacjaA compact low-profile multi-band millimeter-wave (mm-wave) reflectarray metasurface design is presented for coverage enhancement in 5G and beyond cellular communication. The proposed single-layer metasurface exhibits a stable reflection response under oblique incidence angles of up to 60o at 24 and 38 GHz, and transmission response at 30 GHz, effectively covering the desired 5G mm-wave frequency bands. The proposed reflectarray...
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METHODS OF QUANTITATIVE ANALYSIS (TEAM PROJECT) (2022/2023)
Kursy OnlineMETHODS OF QUANTITATIVE ANALYSIS (TEAM PROJECT) - Economic Analytics, Lecture and Lab, Winter Semester 2022/2022. Teacher: dr Piotr Paradowski
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Values and problems analysis – Lower Sopot (Dolny Sopot) district case study, study proposal no 2, March 2021
Dane BadawczeThe data presents results of work within the studies of the development possibilities of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 2, from March 2021. The goal of the research process was to present the values and problems analysis of the area located in Lower Sopot (Dolny Sopot) district in the context...
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The surface photoconductivity in molecular layers
PublikacjaW pracy przedstawiono rezultaty analizy fotoprądów powierzchniowych w cienkich warstwach tetracenu i pentacenu. W szczególności badano wpływ obecności defektów strukturalnych w warstwach na charakterystyki fotoprądów i transport nośników ładunku.
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Weekend Muzeów online na Politechnice Gdańskiej
WydarzeniaZapraszamy do udziału w Weekendzie Muzeów – wykładach online, podejmujących aktualne zagadnienia zdrowotne. Transmisja na żywo na kanale YouTube Politechnika Otwarta, z możliwością zadawania pytań prelegentom w komentarz
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Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies
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Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl-perfluoroaryl interactions
PublikacjaWspółkrystalizacja pentafluorojodobenzenu z metylowymi pochodnymi pirydyny prowadzi do powstania heterodimerów stabilizowanych wiązaniem halogenowym C-I...N, które organizują się w dwuwymiarowe struktury typu brick-wall, utrzymywane oddziaływaniami pi-pi pomiędzy jednostkami arylowymi i perfluoroarylowymi.
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Crystal Structure of N-(2-Benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide
PublikacjaThe crystal structure of N-(2-benzoyl-4,5-dimethoxyphenethyl)-2-phenylacetamide indicates that the compound crystallizes in the monoclinic C2/c space group with eight molecules in the unit cell. The heteroatoms from the amide group form a chain of intermolecular N-H ··· O hydrogen bonds propagating along the b axis. The carbonyl group from the benzoyl substituent participates in short contacts with two H-atoms from the ethyl or...
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Selected aspects of modern X-ray structural analysis 2024
Kursy OnlineSelected Aspects of Modern X-ray Structural Analysis
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Selected Aspects of Modern X-ray Structural Analysis 2023
Kursy OnlineSelected Aspects of Modern X-ray Structural Analysis
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...