Stability investigation of amino substituted benzimidazo[1,2-a]quinolines by high resolution mass spectrometry

Znanstvena istraživanja u području organske kemije i biokemije u novije su vrijeme usmjerena pronalaženju odgovarajućih sintetskih mehanizama kojima bi se dobili spojevi poželjne biološke aktivnosti. Potencijalnim kemoterapeuticima pokazali su se heterociklički spojevi, konkretno u ovom radu ispitivani derivati spojeva iz skupine benzimidazola. Ovi spojevi posjeduju biološki aktivna svojstva uslijed mehanizma interkalacije kojem podliježu u reakcijama s biološkim makromolekulama, poput deoksiribonukleinske kiseline, ribonukleinske kiseline i proteina. Postupak istraživanja i razvoja ovih lijekova podrazumijeva provedbu eksperimenata prisilne razgradnje, u okolišnim uvjetima u kojima se oni mogu naći tijekom transporta i skladištenja. Hidrolitička, termalna, fotolitička te razgradnja u prisutnosti vodikovog peroksida eksperimentalni su postupci kojima su se u ovom radu podvrgnuli novosintetizirani spojevi. Nastali razgradni produkti detektirani su i identificirani primjenom spektrometrije masa visoke razlučivosti, a pripadajuće strukturne formule dobivene su primjenom računalnog programa ChemDRAW. Nad dobivenim strukturama primijenjeni su i računalni modeli u sklopu programa TEST, u cilju procjene bioakumulacijskog faktora, toksičnosti i mutagenosti analiziranih spojeva.In recent years, scientific research in the field of organic chemistry and biochemistry has mainly focused on finding appropriate synthetic mechanisms by which the compounds of desirable biological activity can be obtained. Heterocyclic compounds have been proven to be potential chemotherapeutics, specifically the benzimidazole derivatives of the compounds tested in this thesis. These compounds possess biologically active properties due to the intercalation mechanism which they are subject to in reactions with biological macromolecules, such as deoxyribonucleic acid, ribonucleic acid and proteins. The process of research and development of these drugs involves the implementation of forced degradation experiments, in the environmental conditions in which they can be found during transport and storage. Hydrolytic, thermal, photolytic and degradation in the presence of hydrogen peroxide are experimental methods to which the newly synthesized compounds were subjected. The detection and identification of resulting degradation products was performed using high-resolution mass spectrometry, and the corresponding structural formulas were obtained with the application of a software ChemDRAW. Computer models within the TEST program were applied to the obtained structures, in order to assess the bioaccumulation factor, toxicity and mutagenicity of the analysed compounds

Sorption of cefdinir on natural soil and sediment samples

Napredovanjem istraživanja i razvojem farmaceutske industrije, broj otkrivenih farmaceutski aktivnih tvari s vremenom sve više raste. Novootkriveni farmaceutici putem otpadnih tokova mogu dospjeti u okoliš i onečistiti ga. Poznavanje fizikalno-kemijskih svojstava farmaceutika te procesa razgradnje kojima podliježu u okolišu, ključno je za predviđanje njihova ponašanja. Jedan od takvih neistraženih farmaceutika je i cefdinir. Pripadnik je treće generacije antibiotika cefalosporina, a najveću primjenu pronalazi u liječenju bakterijskih infekcija uha, sinusa, grla i kože. Sorpcija je primjer procesa kojem ovaj farmaceutik podliježe u okolišu. Cefdinir se može sorbirati na prirodna tla i sedimente, a intenzitet sorpcije pritom će ovisiti o čimbenicima poput ionske jakosti, pH-vrijednosti te vremena sorpcije. Cilj ovog završnog rada bio je kroz niz eksperimenata ispitati proces sorpcije cefdinira na prirodna tla i sedimente, uzorkovane diljem Republike Hrvatske. Eksperimentalni su podatci opisani modelima sorpcijskih izotermi - Linearnim, Freundlichovim te Dubinin-Radushkevichevim modelom – pri čemu je najviša vrijednost koeficijenta korelacije (R2 > 0,99) dobivena Linearnim modelom. Koeficijent sorpcije (Kd) pokazao se najmanjim za sediment Pakru i tlo Gračac, a najvećim za sediment Lonju i tlo Josipovac. S porastom ionske jakosti i pH-vrijednosti, vrijednost koeficijenta sorpcije se smanjuje. Za opis kinetike sorpcije cefdinira korišteni su pseudokinetički modeli 1. i 2. reda. Pritom je najbolje slaganje s eksperimentalnim podatcima za sediment Glinu i tlo Bruvno pokazao pseudokinetički model 2. reda. Desorpcija cefdinira opisana je modelom međučestične difuzije prema kojem je konstanta brzine međučestične difuzije za tlo Bruvno veća od konstante za sediment Glinu. Vrijednosti konstante brzine to su veće što je veća početna koncentracija standardne otopine cefdinira.By expanding the research and development of the pharmaceutical industry, the number of pharmaceutically active substances discovered over time is growing. Newly discovered pharmaceuticals can get into the environment through waste streams and cause its contamination. Knowing the physicochemical properties of the pharmaceuticals and the degradation processes they are subject to in the environment is crucial for predicting their behavior. One of such unexplored pharmaceuticals is cefdinir. Cefdinir is a third-generation cephalosporin antibiotic, and finds the greatest use in the treatment of bacterial infections of the ear, sinus, throat and skin. Sorption is an example of a process that this drug is subject to in the environment. Cefdinir can be sorbed on natural soil and sediments, and sorption intensity will depend on factors such as ionic strength, pH-value and sorption time. Through a series of experiments, the aim of this study was to examine the process of sorption of cefdinir on natural soil and sediments sampled throughout the Republic of Croatia. The experimental data are described by the models of sorption isotherms - Linear, Freundlich and Dubinin – Radushkevich model – of which the highest correlation coefficient (R2> 0.99) was obtained with a Linear model. The sorption coefficient (Kd) proved to be the lowest for sediment Pakra and the soil of Graĉac, and the highest for sediment Lonja and soil Josipovac. With the increase in ionic strength and pH-value, the value of the sorption coefficient decreases. In order to describe the kinetics of absorption of cefdinir, the pseudo first order model and the pseudo second order model were used. The best correlation with experimental data for the sediment of Glina and the soil of Bruvno was given with the pseudo second order model. The desorption of cefdinir is described by an intra particle diffusion model according to which the intraparticle diffusion rate constant for the soil of Bruvno is greater than the one for the sediment of Glina. The higher the initial concentration of the standard cefdinir solution, the larger the value of the intraparticle rate constant

Stability investigation of amino substituted benzimidazo[1,2-a]quinolines by high resolution mass spectrometry

Znanstvena istraživanja u području organske kemije i biokemije u novije su vrijeme usmjerena pronalaženju odgovarajućih sintetskih mehanizama kojima bi se dobili spojevi poželjne biološke aktivnosti. Potencijalnim kemoterapeuticima pokazali su se heterociklički spojevi, konkretno u ovom radu ispitivani derivati spojeva iz skupine benzimidazola. Ovi spojevi posjeduju biološki aktivna svojstva uslijed mehanizma interkalacije kojem podliježu u reakcijama s biološkim makromolekulama, poput deoksiribonukleinske kiseline, ribonukleinske kiseline i proteina. Postupak istraživanja i razvoja ovih lijekova podrazumijeva provedbu eksperimenata prisilne razgradnje, u okolišnim uvjetima u kojima se oni mogu naći tijekom transporta i skladištenja. Hidrolitička, termalna, fotolitička te razgradnja u prisutnosti vodikovog peroksida eksperimentalni su postupci kojima su se u ovom radu podvrgnuli novosintetizirani spojevi. Nastali razgradni produkti detektirani su i identificirani primjenom spektrometrije masa visoke razlučivosti, a pripadajuće strukturne formule dobivene su primjenom računalnog programa ChemDRAW. Nad dobivenim strukturama primijenjeni su i računalni modeli u sklopu programa TEST, u cilju procjene bioakumulacijskog faktora, toksičnosti i mutagenosti analiziranih spojeva.In recent years, scientific research in the field of organic chemistry and biochemistry has mainly focused on finding appropriate synthetic mechanisms by which the compounds of desirable biological activity can be obtained. Heterocyclic compounds have been proven to be potential chemotherapeutics, specifically the benzimidazole derivatives of the compounds tested in this thesis. These compounds possess biologically active properties due to the intercalation mechanism which they are subject to in reactions with biological macromolecules, such as deoxyribonucleic acid, ribonucleic acid and proteins. The process of research and development of these drugs involves the implementation of forced degradation experiments, in the environmental conditions in which they can be found during transport and storage. Hydrolytic, thermal, photolytic and degradation in the presence of hydrogen peroxide are experimental methods to which the newly synthesized compounds were subjected. The detection and identification of resulting degradation products was performed using high-resolution mass spectrometry, and the corresponding structural formulas were obtained with the application of a software ChemDRAW. Computer models within the TEST program were applied to the obtained structures, in order to assess the bioaccumulation factor, toxicity and mutagenicity of the analysed compounds

Stability investigation of amino substituted benzimidazo[1,2-a]quinolines by high resolution mass spectrometry

Znanstvena istraživanja u području organske kemije i biokemije u novije su vrijeme usmjerena pronalaženju odgovarajućih sintetskih mehanizama kojima bi se dobili spojevi poželjne biološke aktivnosti. Potencijalnim kemoterapeuticima pokazali su se heterociklički spojevi, konkretno u ovom radu ispitivani derivati spojeva iz skupine benzimidazola. Ovi spojevi posjeduju biološki aktivna svojstva uslijed mehanizma interkalacije kojem podliježu u reakcijama s biološkim makromolekulama, poput deoksiribonukleinske kiseline, ribonukleinske kiseline i proteina. Postupak istraživanja i razvoja ovih lijekova podrazumijeva provedbu eksperimenata prisilne razgradnje, u okolišnim uvjetima u kojima se oni mogu naći tijekom transporta i skladištenja. Hidrolitička, termalna, fotolitička te razgradnja u prisutnosti vodikovog peroksida eksperimentalni su postupci kojima su se u ovom radu podvrgnuli novosintetizirani spojevi. Nastali razgradni produkti detektirani su i identificirani primjenom spektrometrije masa visoke razlučivosti, a pripadajuće strukturne formule dobivene su primjenom računalnog programa ChemDRAW. Nad dobivenim strukturama primijenjeni su i računalni modeli u sklopu programa TEST, u cilju procjene bioakumulacijskog faktora, toksičnosti i mutagenosti analiziranih spojeva.In recent years, scientific research in the field of organic chemistry and biochemistry has mainly focused on finding appropriate synthetic mechanisms by which the compounds of desirable biological activity can be obtained. Heterocyclic compounds have been proven to be potential chemotherapeutics, specifically the benzimidazole derivatives of the compounds tested in this thesis. These compounds possess biologically active properties due to the intercalation mechanism which they are subject to in reactions with biological macromolecules, such as deoxyribonucleic acid, ribonucleic acid and proteins. The process of research and development of these drugs involves the implementation of forced degradation experiments, in the environmental conditions in which they can be found during transport and storage. Hydrolytic, thermal, photolytic and degradation in the presence of hydrogen peroxide are experimental methods to which the newly synthesized compounds were subjected. The detection and identification of resulting degradation products was performed using high-resolution mass spectrometry, and the corresponding structural formulas were obtained with the application of a software ChemDRAW. Computer models within the TEST program were applied to the obtained structures, in order to assess the bioaccumulation factor, toxicity and mutagenicity of the analysed compounds

Sorption of cefdinir on natural soil and sediment samples

Napredovanjem istraživanja i razvojem farmaceutske industrije, broj otkrivenih farmaceutski aktivnih tvari s vremenom sve više raste. Novootkriveni farmaceutici putem otpadnih tokova mogu dospjeti u okoliš i onečistiti ga. Poznavanje fizikalno-kemijskih svojstava farmaceutika te procesa razgradnje kojima podliježu u okolišu, ključno je za predviđanje njihova ponašanja. Jedan od takvih neistraženih farmaceutika je i cefdinir. Pripadnik je treće generacije antibiotika cefalosporina, a najveću primjenu pronalazi u liječenju bakterijskih infekcija uha, sinusa, grla i kože. Sorpcija je primjer procesa kojem ovaj farmaceutik podliježe u okolišu. Cefdinir se može sorbirati na prirodna tla i sedimente, a intenzitet sorpcije pritom će ovisiti o čimbenicima poput ionske jakosti, pH-vrijednosti te vremena sorpcije. Cilj ovog završnog rada bio je kroz niz eksperimenata ispitati proces sorpcije cefdinira na prirodna tla i sedimente, uzorkovane diljem Republike Hrvatske. Eksperimentalni su podatci opisani modelima sorpcijskih izotermi - Linearnim, Freundlichovim te Dubinin-Radushkevichevim modelom – pri čemu je najviša vrijednost koeficijenta korelacije (R2 > 0,99) dobivena Linearnim modelom. Koeficijent sorpcije (Kd) pokazao se najmanjim za sediment Pakru i tlo Gračac, a najvećim za sediment Lonju i tlo Josipovac. S porastom ionske jakosti i pH-vrijednosti, vrijednost koeficijenta sorpcije se smanjuje. Za opis kinetike sorpcije cefdinira korišteni su pseudokinetički modeli 1. i 2. reda. Pritom je najbolje slaganje s eksperimentalnim podatcima za sediment Glinu i tlo Bruvno pokazao pseudokinetički model 2. reda. Desorpcija cefdinira opisana je modelom međučestične difuzije prema kojem je konstanta brzine međučestične difuzije za tlo Bruvno veća od konstante za sediment Glinu. Vrijednosti konstante brzine to su veće što je veća početna koncentracija standardne otopine cefdinira.By expanding the research and development of the pharmaceutical industry, the number of pharmaceutically active substances discovered over time is growing. Newly discovered pharmaceuticals can get into the environment through waste streams and cause its contamination. Knowing the physicochemical properties of the pharmaceuticals and the degradation processes they are subject to in the environment is crucial for predicting their behavior. One of such unexplored pharmaceuticals is cefdinir. Cefdinir is a third-generation cephalosporin antibiotic, and finds the greatest use in the treatment of bacterial infections of the ear, sinus, throat and skin. Sorption is an example of a process that this drug is subject to in the environment. Cefdinir can be sorbed on natural soil and sediments, and sorption intensity will depend on factors such as ionic strength, pH-value and sorption time. Through a series of experiments, the aim of this study was to examine the process of sorption of cefdinir on natural soil and sediments sampled throughout the Republic of Croatia. The experimental data are described by the models of sorption isotherms - Linear, Freundlich and Dubinin – Radushkevich model – of which the highest correlation coefficient (R2> 0.99) was obtained with a Linear model. The sorption coefficient (Kd) proved to be the lowest for sediment Pakra and the soil of Graĉac, and the highest for sediment Lonja and soil Josipovac. With the increase in ionic strength and pH-value, the value of the sorption coefficient decreases. In order to describe the kinetics of absorption of cefdinir, the pseudo first order model and the pseudo second order model were used. The best correlation with experimental data for the sediment of Glina and the soil of Bruvno was given with the pseudo second order model. The desorption of cefdinir is described by an intra particle diffusion model according to which the intraparticle diffusion rate constant for the soil of Bruvno is greater than the one for the sediment of Glina. The higher the initial concentration of the standard cefdinir solution, the larger the value of the intraparticle rate constant

Sorption of cefdinir on natural soil and sediment samples

Napredovanjem istraživanja i razvojem farmaceutske industrije, broj otkrivenih farmaceutski aktivnih tvari s vremenom sve više raste. Novootkriveni farmaceutici putem otpadnih tokova mogu dospjeti u okoliš i onečistiti ga. Poznavanje fizikalno-kemijskih svojstava farmaceutika te procesa razgradnje kojima podliježu u okolišu, ključno je za predviđanje njihova ponašanja. Jedan od takvih neistraženih farmaceutika je i cefdinir. Pripadnik je treće generacije antibiotika cefalosporina, a najveću primjenu pronalazi u liječenju bakterijskih infekcija uha, sinusa, grla i kože. Sorpcija je primjer procesa kojem ovaj farmaceutik podliježe u okolišu. Cefdinir se može sorbirati na prirodna tla i sedimente, a intenzitet sorpcije pritom će ovisiti o čimbenicima poput ionske jakosti, pH-vrijednosti te vremena sorpcije. Cilj ovog završnog rada bio je kroz niz eksperimenata ispitati proces sorpcije cefdinira na prirodna tla i sedimente, uzorkovane diljem Republike Hrvatske. Eksperimentalni su podatci opisani modelima sorpcijskih izotermi - Linearnim, Freundlichovim te Dubinin-Radushkevichevim modelom – pri čemu je najviša vrijednost koeficijenta korelacije (R2 > 0,99) dobivena Linearnim modelom. Koeficijent sorpcije (Kd) pokazao se najmanjim za sediment Pakru i tlo Gračac, a najvećim za sediment Lonju i tlo Josipovac. S porastom ionske jakosti i pH-vrijednosti, vrijednost koeficijenta sorpcije se smanjuje. Za opis kinetike sorpcije cefdinira korišteni su pseudokinetički modeli 1. i 2. reda. Pritom je najbolje slaganje s eksperimentalnim podatcima za sediment Glinu i tlo Bruvno pokazao pseudokinetički model 2. reda. Desorpcija cefdinira opisana je modelom međučestične difuzije prema kojem je konstanta brzine međučestične difuzije za tlo Bruvno veća od konstante za sediment Glinu. Vrijednosti konstante brzine to su veće što je veća početna koncentracija standardne otopine cefdinira.By expanding the research and development of the pharmaceutical industry, the number of pharmaceutically active substances discovered over time is growing. Newly discovered pharmaceuticals can get into the environment through waste streams and cause its contamination. Knowing the physicochemical properties of the pharmaceuticals and the degradation processes they are subject to in the environment is crucial for predicting their behavior. One of such unexplored pharmaceuticals is cefdinir. Cefdinir is a third-generation cephalosporin antibiotic, and finds the greatest use in the treatment of bacterial infections of the ear, sinus, throat and skin. Sorption is an example of a process that this drug is subject to in the environment. Cefdinir can be sorbed on natural soil and sediments, and sorption intensity will depend on factors such as ionic strength, pH-value and sorption time. Through a series of experiments, the aim of this study was to examine the process of sorption of cefdinir on natural soil and sediments sampled throughout the Republic of Croatia. The experimental data are described by the models of sorption isotherms - Linear, Freundlich and Dubinin – Radushkevich model – of which the highest correlation coefficient (R2> 0.99) was obtained with a Linear model. The sorption coefficient (Kd) proved to be the lowest for sediment Pakra and the soil of Graĉac, and the highest for sediment Lonja and soil Josipovac. With the increase in ionic strength and pH-value, the value of the sorption coefficient decreases. In order to describe the kinetics of absorption of cefdinir, the pseudo first order model and the pseudo second order model were used. The best correlation with experimental data for the sediment of Glina and the soil of Bruvno was given with the pseudo second order model. The desorption of cefdinir is described by an intra particle diffusion model according to which the intraparticle diffusion rate constant for the soil of Bruvno is greater than the one for the sediment of Glina. The higher the initial concentration of the standard cefdinir solution, the larger the value of the intraparticle rate constant

Plan upravljanja istraživačkim podacima

Razrađen plan upravljanja istraživačkim podacima na projektu Hrvatske zaklade za znanost "Razvoj funkcionalnih biogoriva i (bio)aditiva te ispitivanje primjenskih svojstava mješavina s mineralnim gorivima"

Plan upravljanja istraživačkim podacima

Razrađen plan upravljanja istraživačkim podacima na projektu Hrvatske zaklade za znanost "Razvoj funkcionalnih biogoriva i (bio)aditiva te ispitivanje primjenskih svojstava mješavina s mineralnim gorivima"

Biodiesel Produced from Propanol and Longer Chain Alcohols—Synthesis and Properties

Biodiesel has established itself as a renewable fuel that is used in transportation worldwide and is partially or in some cases completely replacing conventional fuels. Chemically, biodiesel is a fatty acid monoalkyl ester (FAAE). Generally, the term biodiesel refers to the fatty acid methyl or ethyl esters (FAME or FAEE). Herein, an overview of the research on the synthesis of FAAE in which the alkyl moiety is a C3+ alkyl chain (branched/unbranched) is given. In addition, a comparison of the properties of the aforementioned FAAE with each other, with FAME and FAEE, and with fuel standards is given. The length of the alkyl chain has a major influence on viscosity, while pour point temperatures are generally lower when branched alcohols are used, but the fatty acid part of the molecule also has a major influence. The development of new pathways for the synthesis of higher alcohols from biomass opens a future perspective for the production of long chain FAAE as biofuels, fuel additives, or biolubricants. Due to their properties, FAAEs produced from C3–C5 alcohols have the potential to be used as fuels, while all C3+ FAAEs can be used as valuable bioadditives, and C8+ FAAEs can be used as biolubricants and viscosity improvers