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Search results for: PHOSPHINIDENE LIGANDS
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Carboxylic acids as efficient corrosion inhibitors of aluminium alloys in alkaline media
PublicationThe efficiency of AA5754 aluminium alloy corrosion inhibition achieved with maleic, malic, succinic, tartaric, citric, tricarballylic acids and serine in alkaline environment (pH 11) was examined. Selected corrosion inhibitors are characterized by different numbers and distribution of carbonyl and hydroxyl groups within their molecules. We have proposed and verified a novel approach for determining the adsorption isotherms based...
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Allosteric control of Candida albicans glucosamine-6-phosphate synthase.
PublicationPrzedstawiono wyniki badań spektrofluorymetrycznych syntazy GlcN-6-P z Candida albicans oraz enzymu zmutowanego, w którym reszty Trp388 i 690 zostały zamienione na drodze ukierunkowanej mutagenezy na reszty Phe. Metodą spektrofluorymetryczną badano wpływ ligandów: Fru-6-P (substrat), Gln (substrat), UDP-GlcNAc (inhibitor), Glc-6-P (aktywator), DON (analog glutaminy) w odpowiednio dobranych stężeniach. Obecność większości efektorów...
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Investing in wine, precious metals and G-7 stock markets – A co-occurrence analysis for price bubbles
PublicationThis paper used the GSADF test to determine the periods defined in this paper as price bubbles in the three markets studied, i.e. the investment wine market, precious metal market and national stock market indices of G-7 countries. The results obtained enabled the calculation of the values of the phi correlation coefficients, which served the research objective of assessing the co-occurrence of price bubbles in the markets analysed....
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Selection Pressure in the Evolutionary Path Planning Problem
PublicationThis article compares an impact of using various post-selection methods on the selection pressure and the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. The concept of selection pressure and different methods of post-selection are presented. Article analyses behaviour of post-selection for four options of evolutionary algorithms. Based on the results achieved, waveform...
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El empleo en el marco de la transformación digital: Gig Economy vs Open Collaboration ¿dos caras de una misma moneda?
PublicationTal y como plantea Pérez [43, 44], estamos viviendo los efectos de una revolución tecnológica ligada al desarrollo de las TICs. Los procesos de innovación, describe, se retroalimentan colectivamente, involucrando diferentes actores (productores, proveedores, distribuidores y consumidores) entrelazados en clústeres o redes dinámicas y complejas. Estos procesos colectivos ayudan a desarrollar e implementar tecnologías y magnifican...
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Wstępna ocena wielkości stężeń związków azotu i fosforu odprowadzanych z wodami powierzchniowymi do Zatoki Puckiej z terenu gminy Puck
PublicationThe ferilizers used in agriculture negatively affect the surface and groundwater quality. The Bay of Puck is a semi-closed part of the Gulf of Gdańsk, which is particularly vulnerable to eutrophication caused by the inflow of nutrient substances. The Bay is surrounded by the lands intensively used in agriculture. Also a number of touristic resorts is located on its coast. The streams and rivers carry the load of nitrogen and phosphorus...
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A Comparative Study on the Toxicity of Chlorides and Tri-tert-butoxysilanethiolates of Zinc(II), Cadmium(II) and Mercury(II) Towards Candida albicans and Escherichia coli.
PublicationMetale przejściowe, czyli cynk, kadm i rtęć należą do XII grupy układu okresowego. Cynk jako element strukturalny białek odgrywa zróżnicowaną rolę biologiczną i jest pierwiastkiem niezbędnym do zachowania funkcji życiowych. W odróżnieniu od niego kadm i rtęć są metalami wykazującymi działanie toksyczne i podejrzanymi o działanie rakotwórcze. Kadm w szkodliwy sposób wpływa na uprawy oraz organizm ludzki. Toksyczne działanie rtęci...
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Solvothermal growth of {0 0 1} exposed anatase nanosheets and their ability to mineralize organic pollutants. The effect of alcohol type and content on the nucleation and growth of TiO2 nanostructures
PublicationHerein, the series of {0 0 1} exposed anatase nanosheets from HF-assisted solvothermal growth synthesis were obtained. The two-dimensional TiO2 were characterized, including both bulk (XRD, DR-UV–Vis, Mott-Schottky) and surface characteristics (N2 sorption, XPS, SEM) with experimental results compiled with Density Functional Theory (DFT) calculations. The effect of alcohol amount and type was studied, demonstrating the crucial...
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublicationThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...
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Recent Advances in Polymer Nanocomposites: Unveiling the Frontier of Shape Memory and Self-Healing Properties—A Comprehensive Review
PublicationShape memory and self-healing polymer nanocomposites have attracted considerable attention due to their modifiable properties and promising applications. The incorporation of nanomaterials (polypyrrole, carboxyl methyl cellulose, carbon nanotubes, titania nanotubes, graphene, graphene oxide, mesoporous silica) into these polymers has significantly enhanced their performance, opening up new avenues for diverse applications. The...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublicationIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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Muramyl dipeptide-based analogs as potential anticancer compounds: Strategies to improve selectivity, biocompatibility, and efficiency
PublicationAccording to the WHO, cancer is the second leading cause of death in the world. This is an important global problem and a major challenge for researchers who have been trying to find an effective anticancer therapy. A large number of newly discovered compounds do not exert selective cytotoxic activity against tumorigenic cells and have too many side effects. Therefore, research on muramyl dipeptide (MDP) analogs has attracted interest...
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Synthesis of compounds with C-P-P and C=P-P bond systems based on the phospha-Wittig reaction
PublicationA reactivity study of a β-diketiminate titanium(III) phosphanylphosphido complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}] (1) towards ketones such as benzophenone, 9-fluorenone, acetophenone, cyclopentanone, cyclohexanone and cycloheptanone is reported. The reactions of 1 with aromatic ketones (without α-protons) directly lead to the Ti(III) complex [MeNacNacTi(μ2-Cl)(OSiMe3)] (5) as well as Ti(IV) complexes with the pinacol condensation...
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GDAŃSK UNIVERSITY OF TECHNOLOGY - A CONTINUATOR OF THE LVIV SCHOOL OF ARCHITECTS' EDUCATION ON THE EXAMPLE OF DESCRIPTIVE GEOMETRY TEACHING
PublicationThe new theory at the time was descriptive geometry, quickly reached the Polish lands. Her first lecture was held at the Warsaw School of Artillery and Engineering in 1809-1812, by a French teacher Jan Joachim Livet (1809-12). The new discipline was quickly adopted in all major centers of Polish science at that time, which include university cities - Warsaw, Krakow, Vilnius and the Krzemienieckie High School, which represent high...
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Monitoring Trends of Land Use and Land Cover Changes in Rajang River Basin
PublicationIn this study, the spatiotemporal changes in land use and land cover (LULC) were evaluated from 1992 to 2015 for the Rajang River Basin (RRB) located in the Sarawak State of Malaysia. The changes in water bodies cropped lands, and forests were assessed based on the available remotely sensed satellite data. Supervised classification with the Maximum-Likelihood-Algorithm technique was adopted for monitoring the LULC changes using...
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Effect of selective laser treatment on initiation of fatigue crack in the main part of an undercarriage drag strut
PublicationThis paper presents the results of material characterization and a fatigue test conducted for a laser-re-melted drag strut used in an aircraft landing gear. The drag strut was re-melted with a CO2 laser beam. Eight re-melted paths were made in the form of spiral lines along the axis of the drag strut. Next, the drag strut was subjected to variable loads on a testing machine simulating loads occurring when an aircraft lands. The...
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Seasonal changes of the concentrations of mineral forms of nitrogen and phosphorus in watercourses in the agricultural catchment area (Bay of Puck, Baltic Sea, Poland)
PublicationThe Baltic Region countries are obliged to meet the stringent limits of N and P discharge set by HELCOM for 2021. Area sources of pollution, including agriculture, are considered the main contributors of biogenic compounds. The Bay of Puck as an inner part of the Baltic Sea is particularly sensitive to eutrophication caused by nutrient in flow from agricultural lands. Rivers and streams inflowing to the Bay of Puck transport nitrogen...
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublicationGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Development of biocompatible iron oxide-silicon oxide core-shell nanoparticles as subcellular delivery platform for glucosamine-6-phosphate synthase inhibitors
PublicationIn order to develop the preparation of iron oxide-silica coreshell nanoparticles (CSNPs), thesis deeply explores the cetyltrimethylammonium (CTA+) directed silica coating methods of the oleic-acid capped iron oxide nanoparticles (OA-IONPs) initialized under near-neutral pH conditions. It is demonstrated that the initial alkaline hydrolysis of ethyl acetate in the presence of CTA+ and OA-IONPs induces an unusual ligand exchange...
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Topological behavior mimicking ethylene–hexene copolymers using branched lactones and macrolactones
PublicationPolyolefins are of paramount importance in the world of polymers due to their technological and economic potential.1 However, their nonpolar character significantly restricts the compatibility and adhesion properties, which consequently limits their versatility. Moreover, an intensified demand for materials from renewable resources can also become a problematic venture for the current polyolefin industry.2 Although Braskem and...
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Post‐Second World War Reconstruction of Polish Cities: The Interplay Between Politics and Paradigms
PublicationBy the end of the Second World War, many of the Polish cities—and especially their historic centres—were in ruins. This was caused by both bombings and sieges conducted by the Nazis and Soviets. The particular group of cities is associated with former German lands—now called the “Recovered Territories”—which were incorporated into the borders of Poland as compensation for its Eastern Borderlands lost to the Soviet Union. These...
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The Novel Findings About the Hussite’s Warfares in the Gdansk/Danzig Surrounding in the Late Summer of 1433
PublicationOne of the most spectacular episodes during the Hussite Wars was the Czech raid through the lands of the Teutonic Order up to the Baltic Sea in 1433. Although historians and then-witnesses focused on the sacked Cistercian Abbey in Oliva and soldiers filling the bottles with seawater, the scale of damages in the main harbour of Prussia and its surroundings has not been the subject of research yet. Furthermore, most scholars treatthe...
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FUNKCJONALIZOWANIE 2H-TIAZOLO[3,2-α]PIRYDYN-5-(3H)-ONÓW, ALTERNATYWNA ŚCIEŻKA SYNTEZY NOWYCH PILICYDÓW
PublicationUropatogenne szczepy Escherichia coli są przyczyną blisko 80% przypadków zakażeń dróg moczowych (ang. UTI- Urinary tract infection). Ponadto, aż 30% odmiedniczkowego zapalenia nerek występującego u ciężarnych kobiet jest spowodowane przez szczepy E.coli Dr+. Szerząca się lekooporność bakterii i trudności w leczeniu UTI wymusiły na środowiskach naukowych poszukiwania nowych związków chemicznych pełniących rolę chemoterapeutyków. Na...
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Baktericyna o aktywności gronkowcobójczej wytwarzana przez Staphylococcus xylosus - identyfikacja, oczyszczanie oraz wstępna charakterystyka
PublicationCelem badań prowadzonych w ramach realizacji niniejszej pracy była identyfikacja szczepów bakterii z rodzaju Staphylococcus produkujących substancje o działaniu przeciwbakteryjnym, w tym szczególnie bakteriocyny. W trakcie badań przesiewowych, których przedmiotem było 206 szczepów z kolekcji Katedry Technologii Leków i Biochemii Politechniki Gdaoskiej z gatunków Staphylococcus aureus, Staphylococcus epidermidis oraz Staphylococcus...
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Structural analogues of reactive intermediates as inhibitors of glucosamine-6-phosphate synthase and phosphoglucose isomerase
PublicationCentra aktywne izomerazy fosfoglukozowej (PGI) oraz domeny izomerazowej (HPI) syntazy glukozamino-6-fosforanu (GlcN-6-P), wykazują podobieństwo ułożenia przestrzennego kluczowych reszt aminokwasowych, z wyjątkiem reszty Arg272 PGI i reszt Lys603 i Lys485 HPI. Dziesięć pochodnych D-heksitolo-6-P, kwasu 5-fosfoarabonowego i kwasu 6-fosfoglukonowego, strukturalnych analogów cis-enolaminy lub cis-enolanu, przypuszczalnych stanów przejściowych...
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Synteza, właściwości i struktura wybranych pochodnych tiomocznika oraz ich związków kompleksowych z kationami metali o konfiguracji d10
PublicationPrzedstawiona rozprawa doktorska poświęcona jest 1-benzoilotiomocznikom i produktom ich reakcji z halogenkami metali o konfiguracji elektronowej d10 (miedziowce na +1 stopniu utlenienia i cynkowce na +2 stopniu utlenienia) ze szczególnym nastawieniem na ich związki kompleksowe. Istota i cel takich badań przedstawione są we wstępie pracy. Na początku części teoretyczno-literaturowej opisane zostały pochodne tiomocznika ze szczególnym...
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Time series analysis and impact assessment of the temperature changes on the vegetation and the water availability: A case study of Bakun-Murum Catchment Region in Malaysia
PublicationThe Bakun-Murum (BM) catchment region of the Rajang River Basin (RRB), Sarawak, Malaysia, has been under severe threat for the last few years due to urbanization, global warming, and climate change. The present study aimed to evaluate the time series analysis and impact assessment of the temperature changes on the vegetation/agricultural lands and the water availability within the BM region. For this purpose, the Landsat data for...
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Review of sewage sludge management: standards, regulations and analytical methods
PublicationThis article presents the most popular methods of sewage sludge management and associated unit operations and processes referring to them. The most popular methods are: Reclamation and adaptation of lands to specific needs; plant cultivation not intended for consumption or for production of food; usage in agriculture; usage in building; recovery of phosphorus, rare earth metals or fats and usage in industry; producing combustible...
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Development of Biocompatible Fe3O4@SiO2 Nanoparticles as Subcellular Delivery Platform for Glucosamine-6-phosphate Synthase Inhibitors
PublicationNumerous inhibitors of glucoseamine-6-phophate synthase (GlcN-6-P), the enzyme responsible from catalysis of the first step of metabolic pathway leading to metabolism 5’-diphospho-N-acetyl-D- glucosamine, were reported as effective agents for inhibiting the growth of various fungal pathogens. Among the reported inhibitors,...
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Two years later: Is the SARS-CoV-2 pandemic still having an impact on emergency surgery? An international cross-sectional survey among WSES members
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Correction to: Two years later: Is the SARS-CoV-2 pandemic still having an impact on emergency surgery? An international cross-sectional survey among WSES members
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Surgeons’ practice and preferences for the anal fissure treatment: results from an international survey
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Outcomes of gynecologic cancer surgery during the COVID-19 pandemic: an international, multicenter, prospective CovidSurg-Gynecologic Oncology Cancer study
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Effect of COVID-19 pandemic lockdowns on planned cancer surgery for 15 tumour types in 61 countries: an international, prospective, cohort study
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