Filters
total: 884
filtered: 814
Search results for: WATER CHEMISTRY
-
Rainwater chemistry composition in Bellsund: Sources of elements and deposition discrepancies in the coastal area (SW Spitsbergen, Svalbard)
PublicationDiscrepancies in rainfall chemistry in Bellsund were found to be influenced by the orographic barrier and related to the variability in the inflow of air masses as well as to the distance of sampling sites from the sea and thus the extent of sea spray impact. This study covers measurements of rainfall (P) and air temperature (T), physicochemical parameters (pH, specific electrolytic conductivity (SEC), major ions (Cl , NO3 , SO4...
-
Reduced Graphene Oxide Joins Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublicationNovel carbon nanomaterials such as reduced graphene oxide (rGO) and graphene oxide (GO) can be easily incorporated into the undergraduate curriculum to discuss basic chemistry and nanotechnology concepts. This paper describes a laboratory experiment designed to study the differences between GO and rGO regarding their physico-chemical properties (e.g. color, hydrophobicity, type of functional groups, electrical conductivity etc.)....
-
Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublicationThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
-
The Education of Analytical Chemists in Polish Universities
PublicationAnalytical Chemistry plays a very important role in the modern world. The main reasons are; the need of environmental monitoring, quality of food and water control, human health, quality of industrial production control, nanotechnologies and material science. Together with Inorganic Chemistry, Organic Chemistry and Physical Chemistry, Analytical Chemistry is a fundamental chemical course. The education of Analytical Chemists is...
-
Graphene Oxide as Mine of Knowledge: Using Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublicationThe aim of this laboratory experiment is to utilize graphene oxide (GO) material to introduce under-graduate students to many well-known concepts of general chemistry. GO is a new nanomaterial that has generated worldwide interest and can be easily produced in every well-equipped undergraduate chemical laboratory. An in-depth examination of GO synthesis, as well as a study of its structure and properties, allows students to familiarize...
-
Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
-
Study of a Flame Kernel Evolution in a Turbulent Mixing Layer Using LES with a Laminar Chemistry Model
Publication -
A Case Study on the Desired Selectivity in Solid‐State Mechano‐ and Slow‐Chemistry, Melt, and Solution Methodologies
Publication -
Tri(mesityloxy)silanethiol - The First Structurally CharacterizedOrganoxysilanethiol (Contributions to the Chemistry of Silicon-SulfurCompounds. 77 [1])
PublicationTri(mezytyloksy)silanotiol (TMST) wyizolowano jako jedyny produkt reakcji pomiędzy disiarczkiem krzemu a 2,4,6-trimetylofenolem. TMSTkrystalizuje w układzie trójskośnym. Dobra jakość kryształów pozwoliła na udokładnienie grupy SH bez narzuconych więzów. Długość wiązania S-H określono na 1,29(4) ang., a kąt Si-S-H na 95,4(17) deg. Cząsteczki TMST nie tworzą wiązań wodorowych w kryształach.
-
Chemistry of human breast milk – a comprehensive review of the composition and role of milk metabolites in child development
PublicationEarly nutrition has an enormous influence on a child's physiological function, immune system maturation and cognitive development. Human breast milk (HBM) is recognized as the gold standard for human infant nutrition. Accordingly to WHO report breastfeeding is consider as an unequalled way of providing ideal food to the infant, which is required for his healthy growth and development. HBM contains various macronutrients (carbohydrates,...
-
An investigation on the chemistry of the R2P=P ligand: reactions of a phosphanylphosphinidene complex of tungsten(VI) with electrophilic reagents
PublicationThe nucleophilic properties of the title compound [(2,6-i-Pr2C6H3N)2(Cl)W(η2-t-Bu2PvP)]Li·3DME (1) were investigated in reactions with selected electrophilic reagents such as MeI, M(CO)5THF (M = Cr, Mo, W), AlCl3, and GaCl3. Methylation of 1 by MeI yields phosphanylphosphido complexes [(2,6-i-Pr2C6H3N)2W(X)(1,2-η-t-Bu2PvP–CH3)] (X = Cl, I) (2-Cl/2-I) with the formation of a new P–C bond. Moreover, 1 reacts with electrophilic compounds...
-
The chemistry, properties and performance of flame-retardant rubber composites: Collecting, analyzing, categorizing, machine learning modeling, and visualizing
PublicationRubbers combine the flexibility with mechanical strength, supporting myriad applications, but suffer from inherent flammability. Formulation and production of flame-retardant rubber composites (FRRCs) have intensively been practiced over years, but not comprehensively reviewed. This necessity has outlined collecting, analyzing, screening, classifying, and interpreting the literature with the aim of classifying the FRRCs. We quantified...
-
Acid-aided epoxy-amine curing reaction as reflected in epoxy/Fe3O4 nanocomposites: Chemistry, mechanism, and fracture behavior
PublicationThis work seeks to answer the question whether or not the presence of acid functional groups accelerate epoxyamine curing reaction. Epoxy/Fe3O4 nanocomposite was considered as a case, where discussions are based on chemistry, mechanism behind curing reactions and fracture behavior influenced by acid assistance to crosslinking. Fe3O4 magnetic nanoparticles (MNPs) with nanosilica decorative layer (B-MNP) were synthesized and subsequently...
-
Air trapping problem during infiltration on the large areas
PublicationThe process of flow modeling in unsaturated porous medium is often found in many fields of sciences: geology, fluid mechanics, thermodynamics, microbiology or chemistry. Problem is relatively complicated due to complexity of the system which contains three phases: water, air and soil skeleton. The flow of water in such a medium can be described using two-phase (2PH) flow formulation, which accounts the inflow of air and water phases,...
-
The chemistry and toxicity of discharge waters from copper mine tailing impoundment in the valley of the Apuseni Mountains in Romania
Publication -
Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublicationEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
-
Design of serine proteinase inhibitors by combinatorial chemistry using trypsin inhibitor SFTI‐1 as a starting structure
Publication -
Application of linear discriminant analysis to the study of dew chemistry on the basis of samples collected in Poland (2004-2005)
PublicationTechnikę analizy dyskryminacyjnej wykorzystano do klasyfikacji próbek rosy (zebranych w okresie sierpień 2004 - październik 2005 na terenie Gdyni, Gdańska, Mławy, Sopotu, Krakowa, w których oznaczono stężenia wybranych związków nieorganicznych i organicznych) na naturalnie wyłaniające się grupy oraz by zidentyfikować parametry fizykochemiczne odpowiedzialne za podobieństwa i różnice pomiędzy poszczególnymi miejscami pobierania...
-
5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
-
ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublicationHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
-
Band engineering of BiOBr based materials for photocatalytic wastewater treatment via advanced oxidation processes (AOPs) – A review
PublicationSemiconductor based photocatalysts have been an efficient technology for water and wastewater remediation, addressing the concepts of green chemistry and sustainable development. Owing to narrow and suitable band structure, BiOBr is a promising candidate for efficient wastewater treatment via photocatalysis. Enhancement of photocatalytic properties can be obtained by various techniques like doping, element rich strategy, facet...
-
Reemission of inorganic pollution from permafrost? A freshwater hydrochemistry study in the lower Kolyma basin (North-East Siberia)
PublicationPermafrost regions are under particular pressure from climate change resulting in widespread landscape changes, which impact also freshwater chemistry. We investi- gated a snapshot of hydrochemistry in various freshwater environments in the lower Kolyma river basin (North-East Siberia, continuous permafrost zone) to explore the mobility of metals, metalloids and non-metals resulting from permafrost thaw. Partic- ular attention...
-
Solventless and solvent-minimized sample preparation techniques for determining currently used pesticides in water samples: A review
PublicationThe intensification of agriculture means that increasing amounts of toxic organic and inorganic compounds are entering the environment. The pesticides generally applied nowadays are regarded as some of the most dangerous contaminants of the environment. Their presence in the environment, especially in water, is hazardous because they cause human beings to become more susceptible to disease. For these reasons, it is essential to...
-
Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublicationThe principles of green analytical chemistry indicate that the search for greener organic solvents for extraction applications is crucial. In this study diethyl carbonate (DEC) is proved to be a green solvent, as it is relatively nontoxic, obtainable from renewable resources and biodegradable. Here it is applied as an extraction solvent for chlorophenol determination in water samples with dispersive liquid–liquid microextraction....
-
Composite 2D Material-Based Pervaporation Membranes for Liquid Separation: A Review
PublicationToday, chemistry and nanotechnology cover molecular separations in liquid and gas states by aiding in the design of new nano-sized materials. In this regard, the synthesis and application of two-dimensional (2D) nanomaterials are current fields of research in which structurally defined 2D materials are being used in membrane separation either in self-standing membranes or composites with polymer phases. For instance, pervaporation...
-
Correction to: The chemistry and toxicity of discharge waters from copper mine tailing impoundment in the valley of the Apuseni Mountains in Romania
Publication -
Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
Publication -
Deep eutectic solvent based method for analysis of Niclosamide in pharmaceutical and wastewater samples – A green analytical chemistry approach
PublicationThe paper presents a simple, but very effective and sensitive spectrophotometric method for trace analysis of Niclosamide based on liquid–liquid microextraction using deep eutectic solvents (DESs) prior to its quantification. Here, different DES systems, such as Choline chloride (ChCl) + Urea, ChCl + Citric acid, ChCl + Ethylene glycol and ChCl + Phenol, were synthesized and evaluated at different molar ratios, selecting ChCl + Phenol...
-
Challenges of Green Chemistry in monitoring and air protection. Wyzwania Zielonej Chemii w monitoringu i ochronie powietrza.
PublicationW pracy przedstawiono podstawowe założenia Zielonej Chemii do syntezy i przerobu związków chemicznych. W szczególnośi opisano nowe podejście w opracowywaniu metod analitycznych pozwalających na ocenę stanu zanieczyszczenia środowiska - w tym i powietrza. Podkreślono rolę analityki procesowej jako narzędzia kontroli procesu chemicznego, pozwalającego na szybkie wykrycie zagrożenia zanieczyszczenia powietrza.
-
Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
PublicationIn this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
-
Miniaturized solid phase microextratcion
PublicationWithout any doubt analytical laboratories have an essential role in environmental protection due to the fact that they takes an active part in the monitoring pollutants present in air, water or soil. From the other side, the analytical activity is involved in the generation of toxic waste what is associated with the use of not eco-friendly reagents and solvents. For these reasons, green analytical chemistry (GAC) was introduced...
-
Towards plant-mediated chemistry – Au nanoparticles obtained using aqueous extract of Rosa damascena and their biological activity in vitro
Publication -
Contrasting effects of operating conditions and biomass particle size on bulk characteristics and surface chemistry of rice husk derived-biochars
Publication -
Enhanced electrochemical kinetics of highly-oriented (111)-textured boron-doped diamond electrodes induced by deuterium plasma chemistry
PublicationNovel highly-oriented (111)-textured boron-doped diamond electrodes (BDDD) featuring high electrochemical activity and electrode stability toward electrochemical analytics were fabricated by deuterium-rich microwave plasma CVD. The high flux deuterium plasma-induced preferential formation of (111)-faceted diamond as revealed by XRD. The highly-oriented diamond surface exhibited improved boron dopant incorporation and activation,...
-
A coordination chemistry study of hydrated and solvated cationic vanadium ions in oxidation states +III, +IV, and +V in solution and solid state
PublicationPrzedmiotem studiów jest chemia koordynacyjna solwatów jonów wanadu(III), oksowanadu(IV) jaki i dioksowanadu(V) w rozpuszczalnikach tlenowo-donorowych takich jak: woda, dimetylosulfotlenek (DMSO) oraz N,N'-dimetylopropylenomocznik (DMPU). Badania prowadzone były w roztworach ciekłych jak i w fazie stałej z wykorzystaniem absorpcji (EXAFS), rozproszenia (LAXS) jak i dyfrakcji promieniowania X. Analiza uzyskanych wyników wskazuje,...
-
Conditions controlling atmospheric pollutant deposition via snowpack
PublicationSolid precipitation represents a potentially important addition to other measures of deposition. However, an accurate estimate of snowfall amount and pollutant loading is not a trivial matter. There are obvious distinctions between regular precipitation collection and snowpack sampling that represent the cumulative chemistry of bulk deposition. The main goal is to show the most important processes and factors that may influence...
-
Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublicationThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
-
Why the solvation water around proteins is more dense than bulk water
PublicationThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
-
Application of Monoferrocenylsumanenes Derived from Sonogashira Cross-Coupling or Click Chemistry Reactions in Highly Sensitive and Selective Cesium Cation Electrochemical Sensors
Publication -
Selection of peptomeric inhibitors of bovine α-chymotrypsin and cathepsin G based on trypsin inhibitor SFTI-1 using a combinatorial chemistry approach
Publication -
ANALIZA STANU TECHNICZNEGO RUROCIĄGÓW: WODY PRZeMYSŁOWEJ I SOLANKI
PublicationPracę wykonano na zlecenie Przedsiębiorstwa Badawczo-Wdrożeniowego "HYDRO-POMP" Sp. z o.o. ul. Wróblewskiego 19, 93-578 Łódź. Wykonawcą zlecenia jest Politechnika Gdańska, Wydział Chemiczny, Katedra Elektrochemii, Korozji i Inżynierii Materiałowej, 80-233 Gdańsk, ul. G. Narutowicza 11/12. Celem pracy była analiza stanu technicznego i badania dwóch rurociągów: solanki oraz wody przemysłowej. Badania wykonywano w warunkach terenowych...
-
Artemisia abrotanum L. (Southern Wormwood)—History, Current Knowledge on the Chemistry, Biological Activity, Traditional Use and Possible New Pharmaceutical and Cosmetological Applications
Publication -
The First Dinuclear Nickel(II) Thiosulfate Obtained From Oxidation of Tri-tert-butoxysilanethiol. Contributions to the Chemistry of Silicon-Sulfur Compounds No. 78[1]
PublicationPrezentowany związek {[Ni2(μ-S2O3)2(C7H9N)4-H2O]C7H8} (1) jest pierwszym tiosiarczanem metalu otrzymanym w wyniku utlenienia silanotiolu. Mechanizm tej reakcji zakłada powstawanie (RO)3SiSSSi(OR)3 jako jako produktu pośredniego. Bimetaliczny związek niklu(II) posiada dwie reszty tiosiarczanowe pełniące rolę liganda zarówno -S,O chelatującego jak i S-mostkującego łączącego oba centra metaliczne. Związek krystalizuje jako dimer z...
-
The structure of dimethylsulfoxide-solvated magnesium and calcium ions in solution and the solid state, and overview of the coordination chemistry of hydrated and solvated alkaline earth metal ions
PublicationOznaczono strukturę w stanie stałym i ciekłym solwatowanych jonów magnezu i wapnia w dimetylosulfotlenku. Stwierdzono, ze jony te tworzą sześciokoordynacyjne solwaty ze średnią długością wiązań Mg-O i Ca-O 2.062(4) i 2.303(5)A. Przegląd literaturowy ukazał, że jony berylu i magnezu we wszystkich rozpuszczalnikach tworzą odpowiednio cztero- i sześciokoordynacyjne solwaty, podczas gdy jony wapnia i strontu istnieją jako ośmiokoordynacyjne...
-
Dissociation energies of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
-
Effects of biotransport and hydro-meteorological conditions on transport of trace elements in the Scott River (Bellsund, Spitsbergen)
PublicationThe shaping of surface water chemistry in the Svalbard Archipelago is strongly dependent on the geology of the catchment and the process of long-range transport of atmospheric pollutants (LRATP). It was found that the dissolved trace elements in the Scott River, which catchment is characterized by a decreasing degree of glaciation, were of the natural origin (i.a. weathering and dissolution of local geological substratum). The...
-
Current Issues in Pharmaceutical Residues in Drinking Water
Publication -
Constituents of organic alkalinity in pore water of marine sediments
Publication -
New chromogenic substrates of human neutrophil cathepsin G containing non-natural aromatic amino acid residues in position P1 selected by combinatorial chemistry methods
Publication -
A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography methods
Publication