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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublikacjaShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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Molecular basis for the DNA damage induction and anticancer activity of asymmetrically substituted anthrapyridazone PDZ-7
Publikacjanthrapyridazones, imino analogues of anthraquinone, constitute a family of compounds with remarkable anti-cancer activity. To date, over 20 derivatives were studied, of which most displayed nanomolar cytotoxicity towards broad spectrum of cancer cells, including breast, prostate and leukemic ones. BS-154, the most potent derivative, had IC50 values close to 1 nM, however, it was toxic in animal studies. Here, we characterize another...
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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublikacjaReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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The Relationship between Gene Activity and Nitrous Oxide Production during Nitrification in Activated Sludge Systems
PublikacjaNitrite is an important factor which inhibits the first stage of the nitrification, the effect is stronger with the decrease of the DO concentrations. NO2- presence at concentration above 15 mg N – NO2 in the aeration tanks stimulates N2O production regardless of the DO concentration. The significant nirS gene induction, observed especially during the experiments with the nitrite addition indicates that N2O production is basically...
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Fabrication and Significant Photoelectrochemical Activity of Titania Nanotubes Modified with Thin Indium Tin Oxide Film
PublikacjaOrdered titanium dioxide nanotubes (TiO2NTs) modified with indium tin oxide (ITO) films were obtained via magnetron sputtering, in which ITO plate was used as a target, onto the as-anodized titania support followed by the calcination process. The morphology of fabricated material with deposited oxide was investigated using scanning electron microscopy. Raman and UV–Vis spectroscopies were utilized to characterize crystalline phase...
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Reactivity induced at 25 K by low-energy electron irradiation of condensed NH3-CH3COOD (1:1) mixture
PublikacjaW wyniku bombardowania niskoenergetycznymi elektronami skondensowanej mieszaniny kwasu octowego (CH3COOD) i amoniaku (NH3) następuje synteza najprostszego aminokwasu - glicyny - bez potrzeby dodatkowej aktywacji termicznej. Filmy molekularne przed i po bombardowaniu elektronami były badane techniką HREELS.
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Theoretical Studies on the Structure, Stability, Ability To Undergo Internal Transformations, and Tautomerization, as Well as Reactivity, of H2PPH2 and HPPH3 Molecules
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H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublikacjaRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublikacjaIn 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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Unexpected Z/E isomerism of N-methyl-O-phosphothioyl benzohydroxamic acids, their oxyphilic reactivity and inertness to amines
PublikacjaThiophosphinoylation of N-methyl p-substituted benzohydroxamic acids using disulfanes (method A) or diphenylphosphinothioyl chloride (method B) provides only one conformer of the respective O-phosphothioyl derivative (Xray and NMR analysis). Undergoing the P-transamidoxylation reaction is an evidence of the reversibility of thiophosphinoylation. Only those products containing strong EWG substituents in the aroyl residue or bulky...
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Regional resting state perfusion variability and delayed cerebrovascular uniform reactivity in subjects with chronic carotid artery stenosis
PublikacjaThe aim of this study was to assess regional perfusion at baseline and regional cerebrovascular resistance (CVR) to delayed acetazolamide challenge in subjects with chronic carotid artery stenosis.Sixteen patients (ten males) aged 70.94±7.71 with carotid artery stenosis ≥90% on the ipsilateral side and ≤50% on the contralateral side were enrolled into the study. In all patients, two computed tomography perfusion examinations were...
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Neural Oscillation During Mental Imagery in Sport: An Olympic Sailor Case Study
PublikacjaThe purpose of the current study was to examine the cortical correlates of imagery depending on instructional modality (guided vs. self-produced) using various sports-related scripts. According to the expert-performance approach, we took an idiosyncratic perspective analyzing the mental imagery of an experienced two-time Olympic athlete to verify whether different instructional modalities of imagery (i.e., guided vs. self-produced)...
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Independent dynamics of low, intermediate, and high frequency spectral intracranial EEG activities during human memory formation
PublikacjaA wide spectrum of brain rhythms are engaged throughout the human cortex in cognitive functions. How the rhythms of various frequency ranges are coordinated across the space of the human cortex and time of memory processing is inconclusive. They can either be coordinated together across the frequency spectrum at the same cortical site and time or induced independently in particular bands. We used a large dataset of human intracranial...
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Photocatalytic degradation and pollutant-oriented structure-activity analysis of carbamazepine, ibuprofen and acetaminophen over faceted TiO2
PublikacjaPhotocatalytic degradation of carbamazepine, ibuprofen, acetaminophen and phenol was studied in the presence of anatase photocatalyst, exposing three different crystal facets in the majority of {0 0 1}, {1 0 0} or {1 0 1}. It was found that octahedral anatase particles exposing {1 0 1} facets allow to achieve the best degradation and mineralization of all persistent organic pollutants. This confirms that the previous findings,...
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Structure-activity relationship study of tetrapeptide inhibitors of the Vascular Endothelial Growth Factor A binding to Neuropilin-1
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Effects of Low Concentration of Selected Analgesics and Successive Bioaugmentation of the Activated Sludge on Its Activity and Metabolic Diversity
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Structure–Activity Relationships and Therapeutic Applications of Retinoids in View of Potential Benefits from Drug Repurposing Process
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The comparison of semiempirical and ab initio molecular modeling methods in activity and property evaluation of selected antimicrobial sulfonamides
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Peptydowe koniugaty antrachinonów i ich aktywność biologiczna = Peptidyl anthraquinone conjugates and its biological activity
PublikacjaW artykule opisano syntezę i aktywność biologiczną peptydowych koniugatów antrachinonów. Koniugaty takie są nie tylko potencjalnymi chemoterapeutykami, ale także odgrywają rolę barwnych ligandów w metodach oczyszczania białek, technikach histochemicznych i badaniu helikalnej struktury DNA z zastosowaniem spektroskopii UV i UV-Vis.
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The Antimicrobial Activity of Omiganan Alone and In Combination against Candida Isolated from Vulvovaginal Candidiasis and Bloodstream Infections
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The Impact of Intraspecies Variability on Growth Rate and Cellular Metabolic Activity of Bacteria Exposed to Rotating Magnetic Field
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The Evaluation of Phenolic Acids and Flavonoids Content and Antiprotozoal Activity of Eryngium Species Biomass Produced by Biotechnological Methods
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Assessment of Ocimum basilicum Essential Oil Anti-Insect Activity and Antimicrobial Protection in Fruit and Vegetable Quality
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Nanocomposites of Graphene Oxide—Silver Nanoparticles for Enhanced Antibacterial Activity: Mechanism of Action and Medical Textiles Coating
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Biological Activity and Antibiofilm Molecular Profile of Citrus aurantium Essential Oil and Its Application in a Food Model
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Antimicrobial and anticancer photodynamic activity of a phthalocyanine photosensitizer with N -methyl morpholiniumethoxy substituents in non-peripheral positions
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Dendrimeric Sulfanyl Porphyrazines: Synthesis, Physico-Chemical Characterization, and Biological Activity for Potential Applications in Photodynamic Therapy
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Design, synthesis and structure–activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands
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Insect cuticular compounds affect Conidiobolus coronatus (Entomopthorales) sporulation and the activity of enzymes involved in fungal infection
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Tonic chemoreflex activation contributes to the elevated muscle sympathetic nerve activity in patients with chronic renal failure
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High-normal blood pressure is associated with increased resting sympathetic activity but normal responses to stress tests
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Effect of Natural Aging of Biochar on Soil Enzymatic Activity and Physicochemical Properties in Long-Term Field Experiment
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Enzymatic Activity and Content of Polycyclic Aromatic Hydrocarbons (PAHs) in Soils under Low-Stack Emission in Lublin
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Catalytic activity and anion activation in SN2 reactions promoted by complexes of silicon polypodands. Comparison with traditional polyethers
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The impact of 3,3',5,5'-tetrabromobisphenol-A (TBBPA) solution pretreatment by ozonolysis and photocatalysis on the activated sludge respirometric activity
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Reduced graphene oxide nanocomposites with different diameters and crystallinity of TiO2 nanoparticles – synthesis, characterization and photocatalytic activity
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Chocolate desserts with ricotta hydrolysates: In vitro study of inhibitory activity against angiotensin‐converting enzyme and cholinesterase
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Unveiling the Electrocatalytic Activity of the GdBa0.5Sr0.5Co2–xCuxO5+δ (x ≥ 1) Oxygen Electrodes for Solid Oxide Cells
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Acute Effects of Isometric Conditioning Activity on the Viscoelastic Properties of Muscles and Sprint and Jumping Performance in Handball Players
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Comparison of Muscle Activity During 200 m Indoor Curve and Straight Sprinting in Elite Female Sprinters
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Sleep Bruxism Contributes to Motor Activity Increase during Sleep in Apneic and Nonapneic Patients—A Polysomnographic Study
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Analysis of the Link between the Redox State and Enzymatic Activity of the HtrA (DegP) Protein from Escherichia coli
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The prognostic activity of transforming acidic coiled-coil 3 (TACC3) immunohistochemical expression in colon adenocarcinoma patients
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Factors Determining Staphylococcus aureus Susceptibility to Photoantimicrobial Chemotherapy: RsbU Activity, Staphyloxanthin Level, and Membrane Fluidity
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Impact of the “Sling Shot” Supportive Device on Upper-Body Neuromuscular Activity during the Bench Press Exercise
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8-Oxoguanine incision activity is impaired in lung tissues of NSCLC patients with the polymorphism of OGG1 and XRCC1 genes
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Chemical Profile and Antioxidant Activity of the Kombucha Beverage Derived from White, Green, Black and Red Tea
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Mesenchymal stem cells transfer mitochondria to allogeneic Tregs in an HLA-dependent manner improving their immunosuppressive activity
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Antiplasmodial Activity of Nitroaromatic Compounds: Correlation with Their Reduction Potential and Inhibitory Action on Plasmodium falciparum Glutathione Reductase
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Inhibition of phthalocyanine-sensitized photohemolysis of human erythrocytes by polyphenolic antioxidants: description of quantitative structure–activity relationships
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