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Optimization of Polycrystalline CVD Diamond Seeding with the Use of sp³/sp² Raman Band Ratio
PublikacjaThe influence of various nanodiamond colloids used for seeding nondiamond substrates in microwave plasma enhanced chemical vapour deposition diamond process was investigated. Colloids based on deionized water, isopropanol alcohol and dimethyl sulfoxide (DMSO) were used with different grain size dispersion: 150, 400 and 35 nm, respectively. The influence of growth time was also taken into consideration and bias enhanced nucleation....
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HIERARCHICAL CYCLES IN MODERN POWER SYSTEMS – EXERGY ANALYSIS UNDER PART LOADS
PublikacjaThe aim of the paper is to investigate thermodynamic efficiency of advanced hierarchic power cyclesunder partial loads by using of exergy analyze. Advanced hierarchical power systems arecomposed of few energy conversion cycles, most common are steam and gas cycles in various configurations, but they may contain fuel cells, ORC, lithium bromide absorption chillers and others. Moreover hierarchical cycles can be powered by several...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublikacjaThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Optical and electrical properties of boron doped diamond thin conductive films deposited on fused silica glass substrates
PublikacjaThis paper presents boron-doped diamond (BDD) film as a conductive coating for optical and electronic purposes. Seeding and growth processes of thin diamond films on fused silica have been investigated. Growth processes of thin diamond films on fused silica were investigated at various boron doping level and methane admixture. Two step pre-treatment procedure of fused silica substrate was applied to achieve high seeding density....
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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The Impact of Ground Tire Rubber Oxidation with H2O2 and KMnO4 on the Structure and Performance of Flexible Polyurethane/Ground Tire Rubber Composite Foams
PublikacjaThe use of waste tires is a very critical issue, considering their environmental and economic implications. One of the simplest and the least harmful methods is conversion of tires into ground tire rubber (GTR), which can be introduced into different polymer matrices as a filler. However, these applications often require proper modifications to provide compatibility with the polymer matrix. In this study, we examined the impact...
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Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublikacjaDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...
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New synthesis route of highly porous InxCo4Sb12 with strongly reduced thermal conductivity
PublikacjaHighly porous, In-filled CoSb3 skutterudite materials with an attractive thermoelectric figure of merit (ZT * 1) and corresponding dense samples were fabricated through the cost-effective method of reduction in oxides in dry hydrogen and the pulsed electric current sintering (PECS) method, respectively. The reduction process was described in detail using in situ thermogravimetric analysis of Co2O3, Sb2O3 and In(NO3)35H2O separately...
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Solvent dependency of carbon dioxide Henry's constant in aqueous solutions of choline chloride-ethylene glycol based deep eutectic solvent
PublikacjaThe Henry's constants of carbon dioxide absorbed in aqueous solutions of ethaline (choline chloride-ethylene glycol) were determined for temperatures ranging from 303.15 to 323.15 K based on solubility measurement at CO2 pressure ranging from 0 to 6 bar (0.6 MPa). These studies revealed that the Henry's constant increased with the increase of temperature. Data indicated the highest capacity of CO2 absorption is obtained for ethaline...
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublikacjaIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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The potential role of bisphenol A in the pathogenesis of polycystic ovary syndrome
PublikacjaPolycystic ovary syndrome (PCOS) is the most common endocrinopathy in women of reproductive age, that lead to infertility, type 2 diabetes and coronary heart disease. Bisphenol A (BPA) is one of the most abundant chemicals produced worldwide and is used as a plasticizer in daily life. Nowadays it is also well know that it can interact with estrogen receptors, androgen receptors and peroxisome proliferatoractivated receptors g (PPARg)....
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Organic-inorganic composites consisted of poly(3,4-ethylenedioxythiophene)and Prussian Blue analogues
PublikacjaThe organic-inorganic material consisted of poly(3,4-ethylenedioxythiophene) (pEDOT) and copper hexacyanoferrate (Cuhcf) was synthesized. The pEDOT film with Fe(CN)63−/4− as counter-ions potentiodynamically polarized in aqueous CuCl2 electrolyte brings about stable hybrid material (pEDOT/Cuhcf) performing single redox activity of FeII/III at a formal potential Ef = 0.61 V (vs. Ag/AgCl/0.1 M KCl) and less clearly shaped two redox...
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Chromatographic behavior of a new hybrid type RP material containing silica bonded 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene
PublikacjaA novel 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene-bonded silica gel stationary phase (CalixPrCN) was prepared and it's structure was confirmed by ATR-FTIR spectroscopy and elemental analysis. The CalixPrCN phase was characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity, residue metal content, and silanol...
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Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species
PublikacjaIn order to protect the skin from UV radiation, personal care products (PCPS) often contain chemical UV-filters. These compounds can enter the environment causing serious consequences on the water ecosystems. The aim of this study was to examine, the effect of different factors, such as UV light, the presence of NaOCl and H2O2 on the formaldehyde formation during popular UV filter, 2-ethylhexyl 4-(dimethylamino)benzoate (ODPABA)...
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Wastewater treatment by means of advanced oxidation processes based on cavitation – A review
PublikacjaHydrodynamic and acoustic cavitation combined with advanced oxidation processes (AOPs), including, among others, the Fenton process, is a promising alternative to the technologies of wastewater treatment technologies in use today. The present review discusses processes based on cavitation combined with AOPs and evaluates their effectiveness in oxidation of organic contaminants. Complete degradation of, among others, p-nitrotoluene,...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublikacjaIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Automotive fleet repair facility wastewater treatment using air/ZVI and air/ZVI/H2 O2 processes
PublikacjaAdvanced automotive fl eet repair facility wastewater treatment was investigated with Zero-Valent Iron/Hydrogen Peroxide (Air/ZVI/H2 O2 ) process for different process parameters: ZVI and H2 O2 doses, time, pH. The highest Chemical Oxygen Demand (COD) removal effi ciency, 76%, was achieved for ZVI/H2 O2 doses 4000/1900 mg/L, 120 min process time, pH 3.0. COD decreased from 933 to 227 mg/L. In optimal process conditions odor and...
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(R,R)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine
Publikacja(R,R)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine has been synthesized and its rentgenostructure has been determined. The structure of the title molecule, C16H19N5O7, is mainly determined by the steric effect of a bulky 2,4,6-trinitrophenyl group attached to the N atom of a pyrrolidine ring. Both pyrrolidine rings adopt an envelope conformation, with one of the methylene C atoms as the flap in each case, and the N-C-C-N...
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Structure, Physicochemical and Biological Properties of an Aqua (2,2′,2′′-Nitrilotriacetato)-oxidovanadium(IV) Salt with 4-Methylpyridinium Cation
PublikacjaThe crystal structure of a nitrilotriacetate (nta) oxidovanadi-um(IV) salt with 4-methylpyridinium cation, [4-Me(Py)H]+, of [4-Me(Py)H][VO(nta)(H2O)] stoichiometry was determined. The com-plex comprises a discrete mononuclear [VO(nta)(H2O)]–coordinationentity that can be rarely found among other known compounds con-taining nitrilotriacetate oxidovanadium(IV) moieties. The complex wascharacterized by spectroscopic (IR and EPR) methods,...
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Reduction of CO2 Emissions from Offshore Combined Cycle Diesel Engine-Steam Turbine Power Plant Powered by Alternative Fuels
PublikacjaDiverse forms of environmental pollution arise with the introduction of materials or energy that exert adverse effects on human health, climate patterns, ecosystems, and beyond. Rigorous emission regulations for gases resulting from fuel combustion are being enforced by the European Union and the International Maritime Organization (IMO), directed at maritime sectors to mitigate emissions of SOx, NOx, and CO2. The IMO envisions...
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Long-range, water-mediated interaction between a moderately active antifreeze protein molecule and the surface of ice
PublikacjaUsing molecular dynamics simulations, we show that a molecule of moderately active antifreeze protein (type III AFP, QAE HPLC-12 isoform) is able to interact with ice in an indirect manner. This interaction occurs between the ice binding site (IBS) of the AFP III molecule and the surface of ice, and it is mediated by liquid water which separates these surfaces. As a result, the AFP III molecule positions itself at a specific orientation...
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Formation of Highly Conductive Boron-Doped Diamond on TiO2 Nanotubes Composite for Supercapacitor or Energy Storage Devices
PublikacjaIn the present paper, we report the phenomena of the formation of the novel composite nanostructures based on TiO2 nanotubes (NTs) over-grown by thin boron-doped diamond (BDD) film produced in Microwave Plasma Enhanced Chemical Vapor Deposition (PE MWCVD). The TiO2 nanotube array overgrown by boron-doped diamond immersed in 0.1 M NaNO3 can deliver high specific capacitance of 7.46 mF cm−2. The composite electrodes were characterized...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublikacjaEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Fabrication and characterization of composite TiO2 nanotubes/ boron-doped diamond electrodes towards enhanced supercapacitors
PublikacjaThe composite TiO2 nanotubes / boron-doped diamond electrodes were deposited using Microwave Plasma Enhanced Chemical Vapor Deposition resulting in the improved electrochemical performance. This composite electrode can deliver high specific capacitance of 7.46 mF cm‐− 2 comparing to boron-doped diamond (BDD) deposited onto flat Ti plate (0.11 mF cm‐− 2).The morphology and composition of composite electrode were characterized...
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Electron scattering from 2-methyl–1,3-butadiene,C5H8, molecules: Role of methylation
PublikacjaWe report cross-section results from experimental and theoretical investigations into electron collisions with the 2-methyl–1,3-butadiene [C5H8] molecule. The current results are compared with our previous results for the 1,3-butadiene [C4H6] molecule, a structural homologue of 2-methyl–1,3-butadiene, to investigate how the methylation (the substitution of hydrogen atom by a methyl group) affects the shape and/or magnitude of the...
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Thermal Instability of Choline Chloride-Based Deep Eutectic Solvents and Its Influence on Their Toxicity─Important Limitations of DESs as Sustainable Materials
PublikacjaDeep eutectic solvents (DESs) have become a hot topic in many branches of science due to their remarkable properties. They have been studied in a wide variety of applications. In particular, choline chloride (ChCl)-based DESs are one of the most commonly used representatives of these fluids. Nevertheless, in order to apply DESs in some fields, it is essential to guarantee their stability, reusability, and biocompatibility. In this...
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Divulging the anti-acetylcholinesterase activity of Colletotrichum lentis strain KU1 extract as sustainable AChE active site inhibitors
PublikacjaAlzheimer’s disease (AD), also called senile dementia is a neurodegenerative disease seen commonly in the elderly and is characterised by the formation of β-amyloid plaques and neurofbrillary tangles (NFT). Though a complete understanding of the disease is lacking, recent studies showed the role of the enzyme acetylcholinesterase (AChE) in pathogenesis. Finding new lead compounds from natural sources has always been a quest for...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublikacjaPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Electrochemistry from first-principles in the grand canonical ensemble
PublikacjaProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Hybrid metal and non-metal activation of Oxone by magnetite nanostructures co-immobilized with nano-carbon black to degrade tetracycline: Fenton and electrochemical enhancement with bio-assay
PublikacjaElectrochemically synthesized magnetite nanostructures (ESMNPs) as a metal activator and nano-carbon black (NCB) as a non-metal activator were co-immobilized by alginate natural polymer to activate Oxone for the degradation of tetracycline (TC) antibiotic. The formation of sulfate radical was indirectly confirmed during the Oxone/ESMNPs/NCB/alginate process via the addition of scavenging compounds. This study revealed the high...
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Deep Eutectic Solvents: Properties and Applications in CO2 Separation
PublikacjaNowadays, many researchers are focused on finding a solution to the problem of global warming. Carbon dioxide is considered to be responsible for the “greenhouse” effect. The largest global emission of industrial CO2 comes from fossil fuel combustion, which makes power plants the perfect point source targets for immediate CO2 emission reductions. A state-of-the-art method for capturing carbon dioxide is chemical absorption using...
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Optimized photodegradation of palm oil agroindustry waste effluent using multivalent manganese–modified black titanium dioxide
PublikacjaThis article presents a methodological approach to use manganese (Mn3+Mn7+)-modified black titanium dioxide (Mn/BTiO2) as a photocatalyst to optimize and improve visible-light-driven photodegradation of treated agro-industrial effluent (TPOME). A modified wet chemical process was used to prepare BTiO2. The BTiO2 was then wet impregnated with Mn and calcined at 300 °C for 1 h to produce Mn/BTiO2. The activity of Mn/BTiO2 was investigated...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublikacjaMy PhD dissertation focused on DNA-protein interactions and the recognition of specific DNA sequences and structures. I discovered that acidic amino acid residues (Asp/Glu) play a crucial role by exhibiting a preference for cytosine. Their contribution to binding affinity depends on nearby cytosines, balancing electrostatic repulsion with specific interactions. Acidic residues act as negative selectors, discouraging non-cytosine...
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Brewery spent grain valorization through fermentation: Targeting biohydrogen, carboxylic acids and methane production
PublikacjaThis study investigated three different fermentation approaches to explore the potential for producing biohydrogen, carboxylic acids, and methane from hydrolysates of thermally dilute acid pretreated brewer's spent grains (BSG). Initially, the research focused on maximizing the volumetric hydrogen production rate (HPR) in the continuous dark fermentation (DF) of BSG hydrolysates by varying the hydraulic retention time (HRT). The...
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Nuclear magnetic shielding constants of Dirac one-electron atoms in some low-lying discrete energy eigenstates
PublikacjaWe present tabulated data for the nuclear magnetic shielding constants (σ) of the Dirac one-electron atoms with a pointlike, motionless and spinless nucleus of charge Ze. Utilizing the exact general analytical formula for σ derived by us (Stefańska, 2016) valid for an arbitrary discrete energy eigenstate, we have computed the numerical values of the magnetic shielding factors for the ground state and for the first and the second...
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Antimicrobial and Antiproliferative Coatings for Stents in Veterinary Medicine—State of the Art and Perspectives
PublikacjaMicrobial colonization in veterinary stents poses a significant and concerning issue in veterinary medicine. Over time, these pathogens, particularly bacteria, can colonize the stent surfaces, leading to various complications. Two weeks following the stent insertion procedure, the colonization becomes observable, with the aggressiveness of bacterial growth directly correlating with the duration of stent placement. Such microbial...
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Correlation between the Reactivity and Spectroscopic Properties of N-Substituted Secondary Thioamides. New Intramolecular N• •H+• •N Binding Approach and Proton Complexes Based on Thioamide Ligation
PublikacjaFrom a comparison of chem. shifts and wavenumbers of several secondary thioamides and amides having monocationic substituents attached to thiocarbamoyl or carbamoyl groups by a polymethylene chain, new intramol. unconventional N···H+···N H bonding effects were discovered. It is argued that the CH2-N rotation is hindered and two +H···NHMe nonequiv. protons occur in a proton spectrum of hydrochloride RCH2C(S)NH(CH2)3NHMe-HCl...
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Comparison of classical and modern approach of determination of highly polar compounds by High Performance Liquid Chromatography coupled with Tandem Mass Spectrometry
PublikacjaAbstract: Sugars and sugar alcohols are known as highly polar compounds. Four analytes were taken into consideration for comparison of classical and modern approach of separation of highly polar substances. Mannitol was chosen as an example of simple sugar alcohol, sucrose and lactulose as examples of disaccharides and structural isomers, raffinose as an example of complex trisaccharide. Raffinose was also used as internal standard...
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublikacjaThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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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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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublikacjaA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Microcrystalline Cellulose Management in the Production of Poly(ether-urethane)s- Structure, Morphology, and Thermal Characteristic
PublikacjaIn response to the demand of polymer industry for reducing the use of synthetic chemicals, eco-friendly materials are investigated. In the presented study, bio-based poly(ether-urethane)s were prepared by using microcrystalline cellulose (MCC) and polyether polyol and 1,3-propanediol derived from corn sugar. A step towards sustainability was taken by incorporating bio-based compounds and cellulose, consequently, bio-waste are utilized...
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The accretion of the new ice layer on the surface of hexagonal ice crystal and the influence of the local electric field on this process
PublikacjaThe process of creation of a new layer of ice on the basal plane and on the prism plane of a hexagonal ice crystal is analyzed. It is demonstrated that the ordering of water molecules in the already existing crystal affects the freezing. On the basal plane, when the orientations of water molecules in the ice block are random, the arrangement of the new layer in a cubic manner is observed more frequently — approximately 1.7 times...
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Docking simulations, Molecular properties and ADMET studies of novel Chromane6,7diol analogues as potential inhibitors of Mushroom tyrosinase
PublikacjaResearch on inhibition of tyrosinase enzyme has attained significant value, because tyrosinase inhibitors have potential applications in medicine, cosmetics (as whitening agents) and in agriculture (as bioinsecticides). Determination and elucidation of new tyrosinase inhibitors are not only beneficial for medical purposes, but their promising applications in improving food quality and nutritional...
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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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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
PublikacjaHydroxymethylfurfural (HMF), furfural (FF), hydroquinone (HQ), and vanillin (VAN) are among the main inhibitors generated during most of biomass pre-treatments prior to fermentation processes. They are recognized as toxic to several fermentative microorganisms and therefore cause a decrease in biohydrogen or biofuel production (after hydrolysis). Moreover, if they are released into aqueous solutions (after fermentation), they can...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublikacjaOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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CaZnO-based nanoghosts for the detection of ssDNA, pCRISPR and recombinant SARS-CoV-2 spike antigen and targeted delivery of doxorubicin
PublikacjaOverexpression of proteins/antigens and other gene-related sequences in the bodies could lead to significant mutations and refractory diseases. Detection and identification of assorted trace concentrations of such proteins/antigens and/or gene-related sequences remain challenging, affecting different pathogens and making viruses stronger. Correspondingly, coronavirus (SARS-CoV-2) mutations/alterations and spread could lead to overexpression...
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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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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublikacjaBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...