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  • Open Access English
    Authors: 
    Đ. Parac-Osterman; V. Đurašević; A. Sutlović;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    Today's chemical and physical-chemical wastewater discoloration methods do not completely meet demands regarding degree of discoloration. In this paper discoloration was performed using Fenton (FeSO4 · 7 H2O + H2O2 + H2SO4) and Fenton-like (FeCl3 · 6 H2O + H2O2 + HCOOH) chemical methods and physical-chemical method of coagulation/flocculation (using poly-electrolyte (POEL) combining anion active coagulant (modified poly-acrylamides) and cationic flocculant (product of nitrogen compounds) in combination with adsorption on activated carbon. Suitability of aforementioned methods was investigated on reactive and acid dyes, regarding their most common use in the textile industry. Also, investigations on dyes of different chromogen (anthraquinone, phthalocyanine, azo and xanthene) were carried out in order to determine the importance of molecular spatial structure. Oxidative effect of Fenton and Fenton-like reagents resulted in decomposition of colored chromogen and high degree of discoloration. However, the problem is the inability of adding POEL in stechiometrical ratio (also present in physical-chemical methods), when the phenomenon of overdosing coagulants occurs in order to obtain a higher degree of discoloration, creating a potential danger of burdening water with POEL. Input and output water quality was controlled through spectrophotometric measurements and standard biological parameters. In addition, part of the investigations concerned industrial wastewaters obtained from dyeing cotton materials using reactive dye (C. I. Reactive Blue 19), a process that demands the use of vast amounts of electrolytes. Also, investigations of industrial wastewaters was labeled as a crucial step carried out in order to avoid serious misassumptions and false conclusions, which may arise if dyeing processes are only simulated in the laboratory. Današnje kemijske i fizikalno-kemijske metode obezbojavanja otpadnih voda ne zadovoljavaju u potpunosti zahtjeve vezane uz stupanj obezbojavanja. U ovom radu obezbojavanje se provodilo pomoću Fentonove kemijske metode (FeSO4· 7 H2O + H2O2 + H2SO4) i modificirane Fentonove kemijske metode (FeCl3 · 6 H2O+H2O2+ HCOOH), te pomoću fizikalno-kemijske metode upotrebom koagulanata/flokulanata (polielektrolita-POEL), koja kombinira anionski koagulant (modificirani poliakrilamid) i kationski flokulant (produkt dušikovih spojeva) uz adsorpciju na aktivnom ugljenu. Prihvatljivost opisanih metoda ispitivana je za reaktivna i kisela bojila, s obzirom na njihovu raširenu primjenu u tekstilnoj industriji. Također, provedena su ispitivanja na bojilima različitih kromogena (antrakinon, ftalocijanin, azo i ksanten) s ciljem određivanja važnosti prostorne strukture molekule. Oksidativno djelovanje Fentonovog i modificiranog Fentonovog postupka dovodi do razgradnje obojenog kromogena i visokog stupnja obezbojavanja. Međutim, ustanovljena je nemogućnost dodavanja POEL u stehiometrijskom odnosu (također prisutno kod modificiranog Fentonovog postupka), odnosno dodavanje koagulanata u suvišku kako bi se postigao viši stupanj obezbojavanja, što u konačnici dovodi do opterećenja voda POEL-ima. Kvaliteta vode na ulazu i izlazu kontrolirana je pomoću spektrofotometrijskih mjerenja i uobičajenih bioloških parametara. U prilog tome, dio ispitivanja bio je vezan za industrijske otpadne vode bojadisaone, u kojoj se pamučni materijal bojadisao bojilom C. I. Reactive Blue 19 i to tehnološkim postupkom koji zahtijeva uporabu velike količine elektrolita. Također, ispitivanje industrijskih otpadnih voda označeno je ključnim korakom izbjegavanja niza krivih pretpostavki i zaključaka, koji bi mogli nastati u slučaju laboratorijskog simuliranja procesa bojadisanja.

  • Open Access English
    Authors: 
    Marina Šekutor; Kata Mlinarić-Majerski;
    Country: Croatia

    Biološka aktivnost različitih adamantanskih derivata i njihova primjena opisane su u brojnim preglednim člancima. Isto tako, mnogi revijalni članci opisuju biološku aktivnost i primjenu gvanidinskih spojeva. Međutim, do sada nije načinjen pregled koji bi se bavio gvanidinskim derivatima adamantana i drugih policikla, tj. spojevima koji sadrže obje navedene podjedinice u istoj molekuli. U ovom radu bit će stoga dan pregled policikličkih derivata gvanidina, i to s naglaskom na njihovu primjenu kao potencijalnih farmakofora.

  • Publication . Article . 2007
    Open Access English
    Authors: 
    Zorc, B.; Butula, I.;
    Publisher: Croatian Society of Chemical Engineers

    In this paper, a review of reactions with benzotriazole as synthetic auxiliary is given. In contrast to most other azoles, benzotriazole reacts with phosgene in molar ratio 1:1 yielding carboxylic acid chloride (BtcCl, 1), which readily reacts with nucleophiles giving reactive compounds. These products can be easily transformed into carbamates, ureas, semicarbazides, carbazides, sulfonylureas, sulfonylcarbazides, nitroalkanic acid esters, etc. In addition, benzotriazole was used in the synthesis of various heterocyclic compounds: benzoxazine, kinazoline, triazinetrione, hydantoin and oxadiazine derivatives. The reaction of chloride 1 with amino acids enabled the use of benzotriazole in peptide chemistry, with triple role of benzotriazolecarbonyl group as N-protecting, N-activating, and both N-protecting/C-activating group. N-(1-benzotriazolecarbonyl)-amino acids 25 are starting compounds in the synthesis of various amino acid, di- and tripeptide derivatives, hydantoic acids and hydroxyureas.Benzotriazole was also applied in the preparation of polymer-drug and thiomer-drug conjugates, polymeric prodrugs with drugs covalently bound to the polymeric carriers. Such macromolecular prodrugs may offer many advantages compared to other drug delivery systems such as increased drug solubility, prolonged drug release, increased stability. It is also possible to accumulate the drug at the site of the pathological process and to minimize its toxicity. In this paper, the binding of drugs from various therapeutic groups (mostly nonsteroidal, anti-inflammatory drugs) to polymersof polyaspartamide type by the benzotriazolide method is described.

  • Publication . Article . 2019
    Open Access English
    Authors: 
    Nenad Raos;
    Publisher: Croatian Society of Chemical Engineers

    Rad se bavi razvojem pojma elementa od antičkih vremena (Empedoklo, Aristotel) preko razdoblja alkemije i rane kemije (Paracelsus, Petar Bono, Boyle) te početaka moderne kemije (Lavoisier, Mendeljejev) do suvremenih shvaćanja utemeljenih na atomskoj teoriji. Pokazuje se da pojam elementa ima dva značenja, elementarne (jednostavne) tvari i elementa u užem smislu; dok se prvi pojam razvijao prateći napredak metoda kemijske analize, za razumijevanje drugog pojma, pojma elementa, bilo je nužno steći dublji uvid u narav kemijskih promjena.

  • Open Access English
    Authors: 
    Barišić, L.; Rapić, V.;
    Publisher: Croatian Society of Chemical Engineers

    This article is the second part of a series dealing with organometallic and bioorganometallic chemistry. In the first part of this series a short review on the history and development of these disciplines was given, emphasizing the importance and scope of bioorganometallic chemistry as a new field dealing with conjugates of organometallics and biomolecules (DNA, PNA, amino acids, peptides...). From the variety of biorganometallics, syntheses and properties of simple conjugates of ferrocene with natural amino acids/peptides were elaborated inter alia. This material is the basis for the second part in which ferrocene amino acids are described. The introduction presents nonproteinogenic alicyclic and aromatic amino acids as the models for the title compounds. Naturally occurring amino acids labelled with ferrocene moiety mostly retain properties of the biomolecules included. Contrary to these ω-ferrocenylamino acids, one could imagine specific amino acids with inserted ferrocene core belonging to either homo- or heterodisubstituted type. The central part of this article is devoted to our investigations of the second type - H2N-(CH2)m-Fn-(CH2)n-COOH. The general rational procedure for synthesis of these compounds and of their N- and/or C-protected derivatives via the azide intermediates N3-CO-(CH2)m- Fn-(CH2)n-COOMe has been described. In the solid state derivatives of ferrocene amino acids contain intermolecular hydrogen bonds giving dimeric structures, three-dimensional networks or endless helical chains. The solutions of homologues Ac-NH-(CH2)m-Fn-(CH2)n-COOMe in nonpolar solvents are dominated by open form conformers. Compounds containing 2–3 ferrocene cores connected by amide, imide and oxalamide spacers were prepared by oligomerization of 1'-aminoferrocene-1-carboxylic acid (Fca) or by its condensation with the appropriate reagents. Similar to natural amino acids, ferrocene amino acids are water-soluble substances with high melting points, insoluble in organic solvents.

  • Open Access English
    Authors: 
    Vancik, H.; Pausek-Bazdar, S.; Kastelan-Macan, M.; Trinajstic, N.;
    Publisher: Croatian Society of Chemical Engineers

    The development of Croatian chemistry from the end of the Second World War to the establishment of the Republic of Croatia is outlined. Briefly discussed is the founding and development of the Chemistry Department of the Faculty of Natural Sciences and Mathematics, and the Rugjer Bošković Institute. Also presented is the postwar structure and organization of the chemical-technological study at the Technical Faculty and later at the Faculty of Technology. The chemical lectures and research in chemistry at the Faculty of Nutrition and Biotechnology, Faculty of Pharmacy and Biochemistry, Faculty of Medicine, Faculty of Veterinary Medicine, Facultyof Agronomy and Faculty of Forestry are reviewed. This article follows logically our first article in this series entitled Croatian Chemistry in the 20th Century. I. From the Turn of the Century to May 8,th 1945 (Kem. Ind. 56 (2007) 403–416).

  • Publication . Article . Other literature type . 2017
    Open Access English
    Authors: 
    Molčanov, Krešimir; Institut Ruđer Bošković, Bijenička 54, HR-10 000 Zagreb;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    Radikale, kemijske vrste s nesparenim elektronima, obično se smatra vrlo nestablinima, tako da ih se može pri - praviti samo pod posebnim uvjetima i proučavati samo pomoću posebnih, vrlo skupih, instrumenata. Također ih se smatra štetnima te neprimjerenima za pokuse u školi. Ipak, radikali imaju ključnu ulogu u biološkim susta - vima. Zahvaljujući nesparenim elektronima, obično su živo obojani, tako da se njihovo nastajanje često može opaziti golim okom. Ovdje je opisano nekoliko jednostavnih reakcijâ s biološki najvažnijim radikalom, semikinonom. Lako ih je izvesti u školskom laboratoriju uporabom male količine jeftinih i bezopasnih tvari. Jednostavnim promatranjem tih reakcijâ dade se naučiti mnogo toga o kemiji (slob odnih) radikala

  • Open Access English
    Authors: 
    Zucko; J. ...(et al.); Starcevic, A.; Hranueli, D.;
    Publisher: Croatian Society of Chemical Engineers

    Polyketides and non-ribosomal peptides represent a large class of structurally diverse natural products much studied over recent years because the enzymes that synthesise them, the modular polyketide synthases (PKSs) and the non-ribosomal peptide synthetases (NRPSs), share striking architectural similarities that can be exploited to generate "un-natural" natural products. PKS and NRPS proteins are multifunctional, composed of a co-linear arrangement of discrete protein domains representing each enzymic activity needed for chain elongation using either carboxylic acid or amino acid building blocks. Each domain is housed within larger modules which form the complex. Polyketide and peptide antibiotics, antifungals, antivirals, cytostatics, immunosuppressants, antihypertensives, antidiabetics, antimalarials and anticholesterolemics are in clinical use. Of commercial importance are also polyketide and peptide antiparasitics, coccidiostatics,animal growth promoters and natural insecticides.Polyketides are assembled through serial condensations of activated coenzyme-A thioester monomers derived from simple organic acids such as acetate, propionate and butyrate. The choice of organic acid allows the introduction of different chiral centres into the polyketide backbone. The active sites required for condensation include an acyltransferase (AT), an acyl carrier protein (ACP) and a ß-ketoacylsynthase (KS). Each condensation results in a ß-keto group that undergoes all, some or none of a series of processing steps. Active sites that perform these reactions are contained within the following domains; ketoreductase (KR), dehydratase (DH) and an enoylreductase (ER). The absence of any ß-keto processing results in the incorporation of a ketone group into the growing polyketide chain, a KR alone gives rise to a hydroxyl moiety, a KR and DH produce an alkene, while the combination of KR, DH and ER domains lead to complete reduction to an alkane. Most often, the last module contains the thioesterase domain (TE) responsible for the release of linear polyketide chain from the enzyme and final cyclisation. After assembly, the polyketide backbone typically undergoes post-PKS modifications such as hydroxylation(s), methylation(s) and glycosylation(s) to give the final active compound.Non-ribosomal peptides are assembled by the so-called "multiple carrier thio-template mechanism". Three domains are necessary for an elongation module: an adenylation (A) domain that selects the substrate amino acid, analogous to a polyketide AT domain, and activates it as an amino acyl adenylate; a peptidyl carrier protein (PCP) that binds the co-factor 4-phosphopantetheine to which the activated amino acid is covalently attached, analogous to the ACP of a PKS; and a condensation (C) domain that catalyzes peptide bond formation, again analogous to the KS in modular PKSs. The NRPSs also contain a (Te) domain located at the C-terminal of the protein which is essential for release of linear, cyclic or branched cyclic peptides. Auxiliary activities can further enlarge the structural diversity of the peptide especially common are epimerization domains (Epim) that convert the thioester-bound amino acid from an L- to D- configuration.There has been a lot of interest in the last few years in generating new compounds for the production of novel drugs by manipulating the programming of such clusters in vitro (e.g. the idea of combinatorial biosynthesis). However, an important barrier to the progress is the fact that most changes made by in vitro methods result in very low yields or no detectable product. A possible solution to the yield problem would be the generation of novel clusters by homologous recombination in vivo, because this would favour more closely related sequences and should reduce problems caused by non-functional incompatible junctions.The Unified Modeling Language (UML) was used to define the platform independent integral generic program packages, CompGen and ClustScan, which are under development to model these processes in silico. The heart of CompGen is a specially structured database, based on BioSQL v1.29, which connects the biosynthetic order of synthase/synthetase enzymes to the sequences of the component polypeptides. The additional linkage to the gene sequences allows the integration of DNA sequence with product structure. The database contains sequences of the well-characterised PKS/NRPS clusters, and non-annotated sequenced clusters whose structure and functionis yet unknown, to act as building blocks for the production of novel products. It is easy to add custom sequences to the database and to annotate them by the use of propriety protein profiles designed by Pfam database and HMMER. One function of the program is the ability to generate virtual recombinants between clusters. This can be done using a recombination model (with optional parameters) to predict sites for homologous recombination or by user defined recombination sites (e.g. to model in vitro genetic manipulation such as module replacement). The program predicts the linear polyketide structure of the resulting "un-natural" natural products with a chemical description using isomeric SMILES. Molecular modelling of the subsequent spontaneous cyclisation process produces structures for a virtual compound database for further molecular modelling studies using PASS and CDD technology. An optional "reverse genetics" module analyses a given chemical structure to see if it could be produced by a novel PKS/NRPS synthesis cluster and suggests the DNA sequence of a suitable cluster based on building blocks derived from clusters contained in the database.Overall, the CompGen allows in silico generation of the database of novel "un-natural" natural chemical compounds that can be used for in silico screening using PASS or CDD technology. The other integral generic program package, ClustScan, will recognise and annotate new gene clusters from microbial genome sequencing projects or in metagenomes of soil and/or marine microorganisms.

  • Publication . Other literature type . 2016
    Open Access English
    Authors: 
    Yi-Chao Zhang; Shao-Bin Dai; Jun Huang; Sheng-Gang Duan; Zhen-Zhen Zhi;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    Thermal insulation gypsum plaster was prepared from flue gas desulphurization (FGD) gypsum. K12 is more recommendable as foaming agent, when the mass fraction of K12 is around 0.1 %, the setting time and compressive strength meet the requirements of gypsum-based construction materials. In the meanwhile, the thermal conductivity is 0.18 W m–1 K–1, which can be used as a thermal insulation material. The hemihydrate mixtures obtained, allow the design of a new wall structure, which is more efficient as a thermal insulation system. The wall heat transfer coefficient test was carried out to compare thermal performance of two different thermal insulation systems. Compared with the thermal performance of a conventional system, the heat transfer coefficient of the new system was reduced by 5.6 %. Finally, energy-saving analysis of a building was carried out to compare the energy-saving effect of the conventional and new systems of building. The energy-savings of the building with the new system increased by almost 2 %, thus resulting in low energy consumption of the building. Toplinskoizolacijska gipsana žbuka izrađena je od gipsa nastalog odsumporavanjem dimnog plina (FGD). Uz maseni udjel sredstva za pjenjenje (K12) 0,1 % toplinska provodnost iznosi 0,18 W m–1 K–1 pa se materijal može upotrijebiti za toplinsku izolaciju. Žbuka i sredstvo za pjenjenje uključeni su u novi tip zidne toplinske izolacije. Koeficijent prijenosa topline novog izolacijskog sustava određen je eksperimentalno i iznosi 0,608 W m–2 K–1. Na temelju analize zaključeno je da se s novim sustavom ušteda energije u zgradi može popeti do 66,99 %. Novi materijal može imati velik utjecaj na energijsku učinkovitost zgrade.

  • Open Access English
    Authors: 
    Dong Gao; Beike Zhang; Xin Xu; Chong Guang Wu;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    HAZOP (Hazard and Operability Analysis) is a method of safety analysis, which is widely used in chemical processes. The conventional methods for safety analysis consist of human based safety analysis and computer aid safety analysis. All of them are off-line and qualitative and it is difficult to carry out on-line safety analysis. On-line safety analysis based on scenario object model was proposed for chemical processes. The scenario object model was built using ontology, by which the safety information can be transferred, reused and shared effectively. Deviation degree and qualitative trend were added to the model. Based on the model and new inference algorithm, on-line safety analysis can be implemented for chemical processes. Once a fault or abnormal event occurs, the causes can be traced and the consequences can be predicted. At the same time, semi-quantitative safety analysis is carried out. The resolution can be improved and it can help the operators handle the problems in time and effectively. The method was used for safety analysis of a reactor process and the effectiveness of the method was proved. This work is licensed under a Creative Commons Attribution 4.0 International License. HAZOP (analiza opasnosti i operativnosti) metoda je sigurnosne analize koja se primjenjuje u kemijskim procesima. Konvencionalne metode za analizu sigurnosti mogu biti ljudske i računalne. Sve su to kvalitativne i off-line analize, a sigurnosnu on-line analizu teško je provesti. Za kemijske procese predložena je sigurnosna on-line analiza temeljena na scenarijskom objektnom modelu. Scenarijski objektni model izrađen je ontološki, čime se sigurnosne informacije mogu učinkovito prenijeti, ponovno upotrijebiti i dijeliti. Stupanj devijacije i kvalitativni trend pridodani su modelu. Na temelju modela i novog algoritma zaključivanja sigurnosna se on-line analiza može implementirati u kemijske procese. Kada se dogodi pogreška ili abnormalni događaj, mogu se pratiti uzroci i predvidjeti posljedice. Istodobno se provodi polukvantitativna sigurnosna analiza. Rješenje je moguće poboljšati i time omogućiti operaterima pravodobno i učinkovito rješavanje problema. Metoda je primijenjena za sigurnosnu analizu reaktorskog procesa te je dokazana njezina učinkovitost. Ovo djelo je dano na korištenje pod licencom Creative Commons Imenovanje 4.0 međunarodna.

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  • Open Access English
    Authors: 
    Đ. Parac-Osterman; V. Đurašević; A. Sutlović;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    Today's chemical and physical-chemical wastewater discoloration methods do not completely meet demands regarding degree of discoloration. In this paper discoloration was performed using Fenton (FeSO4 · 7 H2O + H2O2 + H2SO4) and Fenton-like (FeCl3 · 6 H2O + H2O2 + HCOOH) chemical methods and physical-chemical method of coagulation/flocculation (using poly-electrolyte (POEL) combining anion active coagulant (modified poly-acrylamides) and cationic flocculant (product of nitrogen compounds) in combination with adsorption on activated carbon. Suitability of aforementioned methods was investigated on reactive and acid dyes, regarding their most common use in the textile industry. Also, investigations on dyes of different chromogen (anthraquinone, phthalocyanine, azo and xanthene) were carried out in order to determine the importance of molecular spatial structure. Oxidative effect of Fenton and Fenton-like reagents resulted in decomposition of colored chromogen and high degree of discoloration. However, the problem is the inability of adding POEL in stechiometrical ratio (also present in physical-chemical methods), when the phenomenon of overdosing coagulants occurs in order to obtain a higher degree of discoloration, creating a potential danger of burdening water with POEL. Input and output water quality was controlled through spectrophotometric measurements and standard biological parameters. In addition, part of the investigations concerned industrial wastewaters obtained from dyeing cotton materials using reactive dye (C. I. Reactive Blue 19), a process that demands the use of vast amounts of electrolytes. Also, investigations of industrial wastewaters was labeled as a crucial step carried out in order to avoid serious misassumptions and false conclusions, which may arise if dyeing processes are only simulated in the laboratory. Današnje kemijske i fizikalno-kemijske metode obezbojavanja otpadnih voda ne zadovoljavaju u potpunosti zahtjeve vezane uz stupanj obezbojavanja. U ovom radu obezbojavanje se provodilo pomoću Fentonove kemijske metode (FeSO4· 7 H2O + H2O2 + H2SO4) i modificirane Fentonove kemijske metode (FeCl3 · 6 H2O+H2O2+ HCOOH), te pomoću fizikalno-kemijske metode upotrebom koagulanata/flokulanata (polielektrolita-POEL), koja kombinira anionski koagulant (modificirani poliakrilamid) i kationski flokulant (produkt dušikovih spojeva) uz adsorpciju na aktivnom ugljenu. Prihvatljivost opisanih metoda ispitivana je za reaktivna i kisela bojila, s obzirom na njihovu raširenu primjenu u tekstilnoj industriji. Također, provedena su ispitivanja na bojilima različitih kromogena (antrakinon, ftalocijanin, azo i ksanten) s ciljem određivanja važnosti prostorne strukture molekule. Oksidativno djelovanje Fentonovog i modificiranog Fentonovog postupka dovodi do razgradnje obojenog kromogena i visokog stupnja obezbojavanja. Međutim, ustanovljena je nemogućnost dodavanja POEL u stehiometrijskom odnosu (također prisutno kod modificiranog Fentonovog postupka), odnosno dodavanje koagulanata u suvišku kako bi se postigao viši stupanj obezbojavanja, što u konačnici dovodi do opterećenja voda POEL-ima. Kvaliteta vode na ulazu i izlazu kontrolirana je pomoću spektrofotometrijskih mjerenja i uobičajenih bioloških parametara. U prilog tome, dio ispitivanja bio je vezan za industrijske otpadne vode bojadisaone, u kojoj se pamučni materijal bojadisao bojilom C. I. Reactive Blue 19 i to tehnološkim postupkom koji zahtijeva uporabu velike količine elektrolita. Također, ispitivanje industrijskih otpadnih voda označeno je ključnim korakom izbjegavanja niza krivih pretpostavki i zaključaka, koji bi mogli nastati u slučaju laboratorijskog simuliranja procesa bojadisanja.

  • Open Access English
    Authors: 
    Marina Šekutor; Kata Mlinarić-Majerski;
    Country: Croatia

    Biološka aktivnost različitih adamantanskih derivata i njihova primjena opisane su u brojnim preglednim člancima. Isto tako, mnogi revijalni članci opisuju biološku aktivnost i primjenu gvanidinskih spojeva. Međutim, do sada nije načinjen pregled koji bi se bavio gvanidinskim derivatima adamantana i drugih policikla, tj. spojevima koji sadrže obje navedene podjedinice u istoj molekuli. U ovom radu bit će stoga dan pregled policikličkih derivata gvanidina, i to s naglaskom na njihovu primjenu kao potencijalnih farmakofora.

  • Publication . Article . 2007
    Open Access English
    Authors: 
    Zorc, B.; Butula, I.;
    Publisher: Croatian Society of Chemical Engineers

    In this paper, a review of reactions with benzotriazole as synthetic auxiliary is given. In contrast to most other azoles, benzotriazole reacts with phosgene in molar ratio 1:1 yielding carboxylic acid chloride (BtcCl, 1), which readily reacts with nucleophiles giving reactive compounds. These products can be easily transformed into carbamates, ureas, semicarbazides, carbazides, sulfonylureas, sulfonylcarbazides, nitroalkanic acid esters, etc. In addition, benzotriazole was used in the synthesis of various heterocyclic compounds: benzoxazine, kinazoline, triazinetrione, hydantoin and oxadiazine derivatives. The reaction of chloride 1 with amino acids enabled the use of benzotriazole in peptide chemistry, with triple role of benzotriazolecarbonyl group as N-protecting, N-activating, and both N-protecting/C-activating group. N-(1-benzotriazolecarbonyl)-amino acids 25 are starting compounds in the synthesis of various amino acid, di- and tripeptide derivatives, hydantoic acids and hydroxyureas.Benzotriazole was also applied in the preparation of polymer-drug and thiomer-drug conjugates, polymeric prodrugs with drugs covalently bound to the polymeric carriers. Such macromolecular prodrugs may offer many advantages compared to other drug delivery systems such as increased drug solubility, prolonged drug release, increased stability. It is also possible to accumulate the drug at the site of the pathological process and to minimize its toxicity. In this paper, the binding of drugs from various therapeutic groups (mostly nonsteroidal, anti-inflammatory drugs) to polymersof polyaspartamide type by the benzotriazolide method is described.

  • Publication . Article . 2019
    Open Access English
    Authors: 
    Nenad Raos;
    Publisher: Croatian Society of Chemical Engineers

    Rad se bavi razvojem pojma elementa od antičkih vremena (Empedoklo, Aristotel) preko razdoblja alkemije i rane kemije (Paracelsus, Petar Bono, Boyle) te početaka moderne kemije (Lavoisier, Mendeljejev) do suvremenih shvaćanja utemeljenih na atomskoj teoriji. Pokazuje se da pojam elementa ima dva značenja, elementarne (jednostavne) tvari i elementa u užem smislu; dok se prvi pojam razvijao prateći napredak metoda kemijske analize, za razumijevanje drugog pojma, pojma elementa, bilo je nužno steći dublji uvid u narav kemijskih promjena.

  • Open Access English
    Authors: 
    Barišić, L.; Rapić, V.;
    Publisher: Croatian Society of Chemical Engineers

    This article is the second part of a series dealing with organometallic and bioorganometallic chemistry. In the first part of this series a short review on the history and development of these disciplines was given, emphasizing the importance and scope of bioorganometallic chemistry as a new field dealing with conjugates of organometallics and biomolecules (DNA, PNA, amino acids, peptides...). From the variety of biorganometallics, syntheses and properties of simple conjugates of ferrocene with natural amino acids/peptides were elaborated inter alia. This material is the basis for the second part in which ferrocene amino acids are described. The introduction presents nonproteinogenic alicyclic and aromatic amino acids as the models for the title compounds. Naturally occurring amino acids labelled with ferrocene moiety mostly retain properties of the biomolecules included. Contrary to these ω-ferrocenylamino acids, one could imagine specific amino acids with inserted ferrocene core belonging to either homo- or heterodisubstituted type. The central part of this article is devoted to our investigations of the second type - H2N-(CH2)m-Fn-(CH2)n-COOH. The general rational procedure for synthesis of these compounds and of their N- and/or C-protected derivatives via the azide intermediates N3-CO-(CH2)m- Fn-(CH2)n-COOMe has been described. In the solid state derivatives of ferrocene amino acids contain intermolecular hydrogen bonds giving dimeric structures, three-dimensional networks or endless helical chains. The solutions of homologues Ac-NH-(CH2)m-Fn-(CH2)n-COOMe in nonpolar solvents are dominated by open form conformers. Compounds containing 2–3 ferrocene cores connected by amide, imide and oxalamide spacers were prepared by oligomerization of 1'-aminoferrocene-1-carboxylic acid (Fca) or by its condensation with the appropriate reagents. Similar to natural amino acids, ferrocene amino acids are water-soluble substances with high melting points, insoluble in organic solvents.

  • Open Access English
    Authors: 
    Vancik, H.; Pausek-Bazdar, S.; Kastelan-Macan, M.; Trinajstic, N.;
    Publisher: Croatian Society of Chemical Engineers

    The development of Croatian chemistry from the end of the Second World War to the establishment of the Republic of Croatia is outlined. Briefly discussed is the founding and development of the Chemistry Department of the Faculty of Natural Sciences and Mathematics, and the Rugjer Bošković Institute. Also presented is the postwar structure and organization of the chemical-technological study at the Technical Faculty and later at the Faculty of Technology. The chemical lectures and research in chemistry at the Faculty of Nutrition and Biotechnology, Faculty of Pharmacy and Biochemistry, Faculty of Medicine, Faculty of Veterinary Medicine, Facultyof Agronomy and Faculty of Forestry are reviewed. This article follows logically our first article in this series entitled Croatian Chemistry in the 20th Century. I. From the Turn of the Century to May 8,th 1945 (Kem. Ind. 56 (2007) 403–416).

  • Publication . Article . Other literature type . 2017
    Open Access English
    Authors: 
    Molčanov, Krešimir; Institut Ruđer Bošković, Bijenička 54, HR-10 000 Zagreb;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    Radikale, kemijske vrste s nesparenim elektronima, obično se smatra vrlo nestablinima, tako da ih se može pri - praviti samo pod posebnim uvjetima i proučavati samo pomoću posebnih, vrlo skupih, instrumenata. Također ih se smatra štetnima te neprimjerenima za pokuse u školi. Ipak, radikali imaju ključnu ulogu u biološkim susta - vima. Zahvaljujući nesparenim elektronima, obično su živo obojani, tako da se njihovo nastajanje često može opaziti golim okom. Ovdje je opisano nekoliko jednostavnih reakcijâ s biološki najvažnijim radikalom, semikinonom. Lako ih je izvesti u školskom laboratoriju uporabom male količine jeftinih i bezopasnih tvari. Jednostavnim promatranjem tih reakcijâ dade se naučiti mnogo toga o kemiji (slob odnih) radikala

  • Open Access English
    Authors: 
    Zucko; J. ...(et al.); Starcevic, A.; Hranueli, D.;
    Publisher: Croatian Society of Chemical Engineers

    Polyketides and non-ribosomal peptides represent a large class of structurally diverse natural products much studied over recent years because the enzymes that synthesise them, the modular polyketide synthases (PKSs) and the non-ribosomal peptide synthetases (NRPSs), share striking architectural similarities that can be exploited to generate "un-natural" natural products. PKS and NRPS proteins are multifunctional, composed of a co-linear arrangement of discrete protein domains representing each enzymic activity needed for chain elongation using either carboxylic acid or amino acid building blocks. Each domain is housed within larger modules which form the complex. Polyketide and peptide antibiotics, antifungals, antivirals, cytostatics, immunosuppressants, antihypertensives, antidiabetics, antimalarials and anticholesterolemics are in clinical use. Of commercial importance are also polyketide and peptide antiparasitics, coccidiostatics,animal growth promoters and natural insecticides.Polyketides are assembled through serial condensations of activated coenzyme-A thioester monomers derived from simple organic acids such as acetate, propionate and butyrate. The choice of organic acid allows the introduction of different chiral centres into the polyketide backbone. The active sites required for condensation include an acyltransferase (AT), an acyl carrier protein (ACP) and a ß-ketoacylsynthase (KS). Each condensation results in a ß-keto group that undergoes all, some or none of a series of processing steps. Active sites that perform these reactions are contained within the following domains; ketoreductase (KR), dehydratase (DH) and an enoylreductase (ER). The absence of any ß-keto processing results in the incorporation of a ketone group into the growing polyketide chain, a KR alone gives rise to a hydroxyl moiety, a KR and DH produce an alkene, while the combination of KR, DH and ER domains lead to complete reduction to an alkane. Most often, the last module contains the thioesterase domain (TE) responsible for the release of linear polyketide chain from the enzyme and final cyclisation. After assembly, the polyketide backbone typically undergoes post-PKS modifications such as hydroxylation(s), methylation(s) and glycosylation(s) to give the final active compound.Non-ribosomal peptides are assembled by the so-called "multiple carrier thio-template mechanism". Three domains are necessary for an elongation module: an adenylation (A) domain that selects the substrate amino acid, analogous to a polyketide AT domain, and activates it as an amino acyl adenylate; a peptidyl carrier protein (PCP) that binds the co-factor 4-phosphopantetheine to which the activated amino acid is covalently attached, analogous to the ACP of a PKS; and a condensation (C) domain that catalyzes peptide bond formation, again analogous to the KS in modular PKSs. The NRPSs also contain a (Te) domain located at the C-terminal of the protein which is essential for release of linear, cyclic or branched cyclic peptides. Auxiliary activities can further enlarge the structural diversity of the peptide especially common are epimerization domains (Epim) that convert the thioester-bound amino acid from an L- to D- configuration.There has been a lot of interest in the last few years in generating new compounds for the production of novel drugs by manipulating the programming of such clusters in vitro (e.g. the idea of combinatorial biosynthesis). However, an important barrier to the progress is the fact that most changes made by in vitro methods result in very low yields or no detectable product. A possible solution to the yield problem would be the generation of novel clusters by homologous recombination in vivo, because this would favour more closely related sequences and should reduce problems caused by non-functional incompatible junctions.The Unified Modeling Language (UML) was used to define the platform independent integral generic program packages, CompGen and ClustScan, which are under development to model these processes in silico. The heart of CompGen is a specially structured database, based on BioSQL v1.29, which connects the biosynthetic order of synthase/synthetase enzymes to the sequences of the component polypeptides. The additional linkage to the gene sequences allows the integration of DNA sequence with product structure. The database contains sequences of the well-characterised PKS/NRPS clusters, and non-annotated sequenced clusters whose structure and functionis yet unknown, to act as building blocks for the production of novel products. It is easy to add custom sequences to the database and to annotate them by the use of propriety protein profiles designed by Pfam database and HMMER. One function of the program is the ability to generate virtual recombinants between clusters. This can be done using a recombination model (with optional parameters) to predict sites for homologous recombination or by user defined recombination sites (e.g. to model in vitro genetic manipulation such as module replacement). The program predicts the linear polyketide structure of the resulting "un-natural" natural products with a chemical description using isomeric SMILES. Molecular modelling of the subsequent spontaneous cyclisation process produces structures for a virtual compound database for further molecular modelling studies using PASS and CDD technology. An optional "reverse genetics" module analyses a given chemical structure to see if it could be produced by a novel PKS/NRPS synthesis cluster and suggests the DNA sequence of a suitable cluster based on building blocks derived from clusters contained in the database.Overall, the CompGen allows in silico generation of the database of novel "un-natural" natural chemical compounds that can be used for in silico screening using PASS or CDD technology. The other integral generic program package, ClustScan, will recognise and annotate new gene clusters from microbial genome sequencing projects or in metagenomes of soil and/or marine microorganisms.

  • Publication . Other literature type . 2016
    Open Access English
    Authors: 
    Yi-Chao Zhang; Shao-Bin Dai; Jun Huang; Sheng-Gang Duan; Zhen-Zhen Zhi;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    Thermal insulation gypsum plaster was prepared from flue gas desulphurization (FGD) gypsum. K12 is more recommendable as foaming agent, when the mass fraction of K12 is around 0.1 %, the setting time and compressive strength meet the requirements of gypsum-based construction materials. In the meanwhile, the thermal conductivity is 0.18 W m–1 K–1, which can be used as a thermal insulation material. The hemihydrate mixtures obtained, allow the design of a new wall structure, which is more efficient as a thermal insulation system. The wall heat transfer coefficient test was carried out to compare thermal performance of two different thermal insulation systems. Compared with the thermal performance of a conventional system, the heat transfer coefficient of the new system was reduced by 5.6 %. Finally, energy-saving analysis of a building was carried out to compare the energy-saving effect of the conventional and new systems of building. The energy-savings of the building with the new system increased by almost 2 %, thus resulting in low energy consumption of the building. Toplinskoizolacijska gipsana žbuka izrađena je od gipsa nastalog odsumporavanjem dimnog plina (FGD). Uz maseni udjel sredstva za pjenjenje (K12) 0,1 % toplinska provodnost iznosi 0,18 W m–1 K–1 pa se materijal može upotrijebiti za toplinsku izolaciju. Žbuka i sredstvo za pjenjenje uključeni su u novi tip zidne toplinske izolacije. Koeficijent prijenosa topline novog izolacijskog sustava određen je eksperimentalno i iznosi 0,608 W m–2 K–1. Na temelju analize zaključeno je da se s novim sustavom ušteda energije u zgradi može popeti do 66,99 %. Novi materijal može imati velik utjecaj na energijsku učinkovitost zgrade.

  • Open Access English
    Authors: 
    Dong Gao; Beike Zhang; Xin Xu; Chong Guang Wu;
    Publisher: Croatian Society of Chemical Engineers
    Country: Croatia

    HAZOP (Hazard and Operability Analysis) is a method of safety analysis, which is widely used in chemical processes. The conventional methods for safety analysis consist of human based safety analysis and computer aid safety analysis. All of them are off-line and qualitative and it is difficult to carry out on-line safety analysis. On-line safety analysis based on scenario object model was proposed for chemical processes. The scenario object model was built using ontology, by which the safety information can be transferred, reused and shared effectively. Deviation degree and qualitative trend were added to the model. Based on the model and new inference algorithm, on-line safety analysis can be implemented for chemical processes. Once a fault or abnormal event occurs, the causes can be traced and the consequences can be predicted. At the same time, semi-quantitative safety analysis is carried out. The resolution can be improved and it can help the operators handle the problems in time and effectively. The method was used for safety analysis of a reactor process and the effectiveness of the method was proved. This work is licensed under a Creative Commons Attribution 4.0 International License. HAZOP (analiza opasnosti i operativnosti) metoda je sigurnosne analize koja se primjenjuje u kemijskim procesima. Konvencionalne metode za analizu sigurnosti mogu biti ljudske i računalne. Sve su to kvalitativne i off-line analize, a sigurnosnu on-line analizu teško je provesti. Za kemijske procese predložena je sigurnosna on-line analiza temeljena na scenarijskom objektnom modelu. Scenarijski objektni model izrađen je ontološki, čime se sigurnosne informacije mogu učinkovito prenijeti, ponovno upotrijebiti i dijeliti. Stupanj devijacije i kvalitativni trend pridodani su modelu. Na temelju modela i novog algoritma zaključivanja sigurnosna se on-line analiza može implementirati u kemijske procese. Kada se dogodi pogreška ili abnormalni događaj, mogu se pratiti uzroci i predvidjeti posljedice. Istodobno se provodi polukvantitativna sigurnosna analiza. Rješenje je moguće poboljšati i time omogućiti operaterima pravodobno i učinkovito rješavanje problema. Metoda je primijenjena za sigurnosnu analizu reaktorskog procesa te je dokazana njezina učinkovitost. Ovo djelo je dano na korištenje pod licencom Creative Commons Imenovanje 4.0 međunarodna.

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