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Search results for: HYDROGEN CYANIDE
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Hydrogen embrittlement of X2CrNiMoCuN25-6-3 super duplex stainless steel welded joints under cathodic protection
PublicationThe effect of cathodic polarization conditions on hydrogen degradation of X2CrNiMoCuN25-6-3 super duplex stainless steel welded joints, obtained using flux cored arc and submerged arc welding methods, was evaluated. Slow strain rate tensile tests of base material and welded specimens, ferrite content measurements, scanning electron microscopy observations, and statistical analysis were performed. It was found that hydrogenation...
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Stabilization of N-, N,N-, N,N'-Methylated and Unsubstituted Simple Amidine Salts by Multifurcated Hydrogen Bonds
PublicationIn the light of the usefulness of amidines in medicinal chem., this paper considers the effects on biol. properties and chem. reactivities of org. mols. affected by intramol. interactions. The study of chem. shifts has been an important source of information on the electronic structure of amidine salts and their ability to form non-covalent bonds with nucleic acids. The NMR and IR results demonstrate that hydrogen bonds are...
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Enhanced hydrogen evolution reaction on highly stable titania-supported PdO and Eu2O3 nanocomposites in a strong alkaline solution
PublicationIn this work, PdO/TiO2 and Eu2O3/TiO2 nanocomposites (NCs), were synthesized using a new facile, template-free and one-step solvothermal approach, and characterized by several instrumentation techniques. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of oxidised form of the Pd and Eu nanoparticles within the nanocomposite materials (PdO and Eu2O3). The two catalysts exhibited remarkable activity for the HER...
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Dual functionality of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids: surfactants with catalytic function
PublicationA series of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids were synthesized. Acidic hydrogen sulfate ionic liquids with the alkyl chains C6–C14 are characterized by good surface properties. Their surface properties (adsorption and micellization parameters, degree of ionization of micelles, Krafft temperatures and thermodynamic parameters) were determined. Synthesized ionic liquids were applied as a co-catalyst...
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Study of Phase Transformation Processes Occurring in the Nanocrystalline Iron/Ammonia/Hydrogen System by the Magnetic Permeability Measurement Method
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A Comparison of Hydrogen Storage in Pt, Pd and Pt/Pd Alloys Loaded Disordered Mesoporous Hollow Carbon Spheres
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Magnetizability of the relativistic hydrogen-like atom: applicayion of the Sturmian expansion of the first-order Dirac-Coulomb Green function
PublicationStosując rozwinięcie sturmowskie funkcji Greena-Diraca-Coulomba, znaleziono wyrażenie analityczne dla magnetyzowalności relatywistycznego atomu wodoro-podobnego w stanie podstawowym.
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Application of a catalytic combustion sensor (Pellistor) for the monitoring of the explosiveness of a hydrogen-air mixture in the upper explosive limit range
PublicationA new technique is presented for continuous measurements of hydrogen contamination by air in the upper explosive limit range. It is based on the application of a catalytic combustion sensor placed in a cell through which the tested sample passes. The air content is the function of the quantity of formed heat during catalytic combustion of hydrogen inside the sensor. There is the possibility of using the method in industrial installations...
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Sustainable Conversion of Mixed Plastics into Porous Carbon Nanosheets with High Performances in Uptake of Carbon Dioxide and Storage of Hydrogen
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Modelling of high temperature air/steam gasification of biomassand solid wastes in view of hydrogen-rich gas production
PublicationPrzedstawiono zaawansowane technologie produkcji gazu bogatego w wodór z biomasy i odpadów komunalnych. Przeprowadzono badania eksperymentalne na stanowisku pomiarowym wykonanym w skali półprzemysłowej. Otrzymano obiecujące rezultaty podczas zgazowania palet drewnianych gazem o różnej zawartości pary wodnej.
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Experimental study and numerical simulation on porosity dependent direct reducibility of high-grade iron oxide pellets in hydrogen
PublicationThe transition to more environmentally friendly steel production methods has intensified research into hydrogen-based direct reduction (HyDR) of iron oxide pellets. The aim of this study is to systematically investigate the kinetics of the reduction process, the evolution of porosity and the resulting microstructural changes on the reduction behavior of high-quality pellets during HyDR of iron ore at different temperatures. A modified...
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Nitrogen oxides removal from hydrogen flue gas using corona discharge in marine boilers: Application perspective
PublicationThis paper focuses on the combustion of hydrogen in boilers, as it appears to be a more effective method than using fuel cells for heating purposes due to higher boiler efficiency. One of the main disadvantages of hydrogen combustion in air is NOx formation. Therefore, the authors decided to introduce corona discharge as an inno- vative technique to clean hydrogen flue gas by effectively reducing NOx levels. The method involves...
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Technological solutions for boosting hydrogen role in decarbonization strategies and net-zero goals of world shipping: Challenges and perspectives
PublicationFacing the problems concerning greenhouse gas (GHG) emissions from international ocean shipping has meant that the latest regulations of the International Maritime Organization, issued on 1st January 2023, have come into force, with the aim of reducing GHG emissions from maritime activities. Hydrogen has been suggested as an alternative fuel to achieve decarbonization ambitions in the near future. Although hydrogen has been investigated...
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The Effect of C45 Carbon Black-Phosphomolybdic Acid Nanocomposite on Hydrogenation and Corrosion Resistance of La2Ni9Co Hydrogen Storage Alloy
PublicationIn this paper, we analysed the influence of corrosion processes and the addition of a carbon black-heteropoly phosphomolybdic acid (C45-MPA) nanocomposite on the operating parameters of a hydride electrode obtained on the basis of the intermetallic compound La2Ni9Co. The electrochemical properties of negative electrodes for NiMH batteries were studied using galvanostatic charge/discharge curves, the potentiostatic method, and electrochemical...
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Optimisation of cooperation of hybrid renewable energy sources with hydrogen energy storage toward the lowest net present cost
PublicationThe paper presents the results of a technical and economic analysis of the power supply for a model industrial facility based on intermittent renewable energy sources in the form of wind turbines and photovoltaic modules, supplemented with hydrogen energy storage. The adopted power supply strategy assumed the maximisation of self-consumption of self-produced electricity. Six variants were considered, including two with an energy...
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Modification of TiO2 nanotubes by graphene–strontium and cobalt molybdate perovskite for efficient hydrogen evolution reaction in acidic medium
PublicationHerein, we demonstrate that modification of TiO2 nanotubes with graphene–strontium and cobalt molybdate perovskite can turn them into active electrocatalysts for hydrogen evolution reaction (HER). For this purpose, a simple method of hydrothermal synthesis of perovskites was developed directly on the TiO2 nanotubes substrate. Moreover, the obtained hybrids were also decorated with graphene oxide (GO) during one-step hydrothermal...
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M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublicationMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublicationThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublicationThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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Towards Computer-Aided Graphene Covered TiO2-Cu/(CuxOy) Composite Design for the Purpose of Photoinduced Hydrogen Evolution
PublicationIn search a hydrogen source, we synthesized TiO2-Cu-graphene composite photocatalyst for hydrogen evolution. The catalyst is a new and unique material as it consists of copper-decorated TiO2 particles covered tightly in graphene and obtained in a fluidized bed reactor. Both, reduction of copper from Cu(CH3COO) at the surface of TiO2 particles and covering of TiO2-Cu in graphene thin layer by Chemical Vapour Deposition (CVD) were...
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Flexible syngas-biogas-hydrogen fueling spark-ignition engine behaviors with optimized fuel compositions and control parameters
PublicationThis paper presents the results research on the optimal fuel compositions and the control parameters of the spark ignition engine fueled with syngas-biogas-hydrogen for the purpose of setting up a flexible electronic control unit for the engine working in a solar-biomass hybrid renewable energy system. In syngas-biogas-hydrogen mixture, the optimal content of hydrogen and biogas is 20% and 30%, respectively. Exceeding these thresholds,...
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Superior synergy of g-C3N4/Cd compounds and Al-MOF-derived nanoporous carbon for photocatalytic hydrogen evolution
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Transport of paracetamol in swellable and relaxing polyurethane nanocomposite hydrogels
PublicationPolyurethane hydrogels are potentially attractive materials for biomedical applications. They are able to absorb large amount of water, biological fluids or active substances, and thus, they have potential to be used as absorbents or wound-healing dressings. They are also used for the controlled release of therapeutics because of their capacity to embed biologically active agents in their water-swollen network. The presence of...
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In vivo anti-inflammatory and anti-allergic activities of cynaroside evaluated by using hydrogel formulations
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Formulation and evaluation of hydrogel containing dry extract of Tormentillae rhizoma designed for periodontal disease
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Gentiana asclepiadea exerts antioxidant activity and enhances DNA repair of hydrogen peroxide- and silver nanoparticles-induced DNA damage
PublicationExposure to high levels of different environmental pollutants is known to be associated with induction of DNA damage in humans. Thus DNA repair is of great importance in preventing mutations and contributes crucially to the prevention of cancer. In our study we have focused on quantitative analysis of Gentiana asclepiadea aqueous or methanolic extracts obtained from flower and haulm, their antioxidant potency in ABTS post-column...
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Experimental and quantum chemical evidences for C–H⋯N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides
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Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates
PublicationHydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Promotion of Photocatalytic Hydrogen Evolution under Visible Light with NiO/C Fabricated via a Super Facile and General Strategy
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Numerical Modeling of Hydrogen-Rich Gas Production From Gasoline Autothermal Reforming in a Plug Flow Reactor for Electric Vehicles
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Aryl-perfluoroaryl stacking interactions: hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N'-diaryloxalamides
PublicationOtrzymano kilka struktur supramolekularnych N,N'-diarylooksamidów z silnymi donorami protonów tj. pentafluorofenolem (pfp) i kwasem pentafluorobenzoesowym (pfba), w celu zilustrowania roli współdziałania wiązań wodorowych i oddziaływań pi-elektronowych w tworzeniu uporządkowanych faz stałych. Wprowadzenie do struktury oksamidów objętościowych podstawników arylowych utrudniało tworzenie występujących pomiędzy cząsteczkami oksamidów...
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublicationMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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UV-crosslinkable photoreactive self-adhesive hydrogels based on acrylics
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Application of 3D- printed hydrogels in wound healing and regenerative medicine
PublicationHydrogels are three-dimensional polymer networks with hydrophilic properties. The modifiable properties of hydrogels and the structure resembling living tissue allow their versatile application. Therefore, increasing attention is focused on the use of hydrogels as bioinks for three-dimensional (3D) printing in tissue engineering. Bioprinting involves the fabrication of complex structures from several types of materials, cells,...
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Polysaccharide-based electroconductive hydrogels: Structure, properties and biomedical applications
PublicationArchitecting an appropriate platform for biomedical applications requires setting a balance between simplicity and complexity. Polysaccharides (PSAs) play essential roles in our life in food resources, structural materials, and energy storage capacitors. Moreover, the diversity and abundance of PSAs have made them an indispensable part of food ingredients and cosmetics. PSA-based hydrogels have been extensively reviewed in biomedical...
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Development and evaluation of RADA-PDGF2 self-assembling peptide hydrogel for enhanced skin wound healing
PublicationBackground: Wound healing complications affect numerous patients each year, creating significant economic and medical challenges. Currently, available methods are not fully effective in the treatment of chronic or complicated wounds; thus, new methods are constantly sought. Our previous studies showed that a peptide designated as PDGF2 derived from PDGF-BB could be a promising drug candidate for wound treatment and that RADA16-I...
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Degradation Efficiency and Kinetics Analysis of an Advanced Oxidation Process Utilizing Ozone, Hydrogen Peroxide and Persulfate to Degrade the Dye Rhodamine B
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Maximizing Bio-Hydrogen and Energy Yields Obtained in a Self-Fermented Anaerobic Bioreactor by Screening of Different Sewage Sludge Pretreatment Methods
PublicationEgypt faces significant challenges in managing its sewage sludge generated in large quantities from wastewater treatment plants. This study investigates the feasibility of utilizing sewage sludge as a renewable resource for hydrogen production through anaerobic digestion at the 100 L bioreactor level. Hydrogen is considered a promising alternative energy source due to its high energy content and environmental benefits. To optimize...
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An integral-differential method for impedance determination of the hydrogen oxidation process in the presence of carbon monoxide in the proton exchange membrane fuel cell
PublicationThe impedance of a proton exchange membrane fuel cell powered by hydrogen contaminated with carbon monoxide, ranging from 150 to 300 ppb, is measured and discussed. The tested range of CO concentration complied with the fuel standard specified in the ISO standards. Studies of influence of CO contamination on operation of PEMFC are crucial for further development and commercialization of fuel cells for automotive applications. Based...
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Cathodic activation of synthesized highly defective monoclinic hydroxyl‐functionalized ZrO2 nanoparticles for efficient electrochemical production of hydrogen in alkaline media
PublicationThe high electrochemical stability of Zirconia (ZrO2) at high potentials strongly suggested it as an alternative to carbon supports, which experience reduced efficiency due to some corrosion problems particularly during prolonged electrocatalysis activity. However, the use of ZrO2 was limited by its low electrical conductivity and surface area. In this work, we developed a methodology for synthesizing monoclinic ZrO2 NPs with increased...
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Cathodic Activation of Titania-Fly Ash Cenospheres for Efficient Electrochemical Hydrogen Production: A Proposed Solution to Treat Fly Ash Waste
PublicationFly ash (FA) is a waste product generated in huge amounts by coal-fired electric and steam-generating plants. As a result, the use of FA alone or in conjunction with other materials is an intriguing study topic worth exploring. Herein, we used FA waste in conjunction with titanium oxide (TiO2) to create (FA-TiO2) nanocomposites. For the first time, a cathodic polarization pre-treatment regime was applied to such nanocomposites...
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Green and sustainable hydrogels based on quaternized chitosan to enhance wound healing
PublicationHydrogel-based biomaterials applied as wound dressings provide the wound with a moist environment, which facilitates tissue regeneration through granulation and re-epithelialization. The inherent flexibility and adjustable architecture of hydrogels enables incorporation of cells, antimicrobial drugs, growth factors, and bioactive compounds, which leads to expediting wound contraction and enhancing the regeneration process. The...
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Naturally-derived hydrogels for 3D pancreatic tumor models: A short review
PublicationStatistics suggest a high proportion of mortality rate by pancreatic cancer, which is a solid tumor characterized by high heterogeneity and the presence of a complex extracellular matrix. The very low effectiveness of pancreatic cancer treatment roots in the high metastatic potential and drug resistance of this tumor. Therefore, the quest for efficient cellular models enabling precise mimicking in vivo conditions, and anticancer...
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Optical Spectroscopic Studies of Tetrahydrofuran Fragmentation Induced by Collisions with Dihydrogen Cations
PublicationCollisions of dihydrogen cations with tetrahydrofuran molecules have been studied. Luminescence spectra and the emission functions of the excited products at projectile energies ranging from 8 to 1000 eV have been measured using collision-induced emission spectroscopy. The recorded spectra are dominated by the atomic lines of the hydrogen Balmer series, whose intensities decrease more quickly than derived by the quantum-theoretical...