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Cilj ovog rada bio je razviti tri metode temeljene na umjetnoj inteligenciji za modeliranje trostruke adsorpcije iona teških metala {Pb2+, Hg2+, Cd2+, Cu2+, Zn2+, Ni2+, Cr4+} na različitim adsorbatima {aktivni ugljen, kitozan, danski treset, treset Heilongjiang, ugljik glave suncokreta i ugljik stabljike suncokreta). Rezultati pokazuju da se regresija potpornih vektora (SVR) pokazala nešto boljom, preciznijom, stabilnijom i bržom od regresije potpornih vektora najmanjih kvadrata (LS-SVR) i umjetnih neuronskih mreža (ANN). Za procjenu kinetike trostrukog adsorpcijskog sustava višekomponentnog sustava preporučuje se model SVR. Ovo djelo je dano na korištenje pod licencom Creative Commons Imenovanje 4.0 međunarodna. The aim of this work was to develop three artificial intelligence-based methods to model the ternary adsorption of heavy metal ions {Pb2+, Hg2+, Cd2+, Cu2+, Zn2+, Ni2+, Cr4+} on different adsorbates {activated carbon, chitosan, Danish peat, Heilongjiang peat, carbon sunflower head, and carbon sunflower stem). Results show that support vector regression (SVR) performed slightly better, more accurate, stable, and more rapid than least-square support vector regression (LS-SVR) and artificial neural networks (ANN). The SVR model is highly recommended for estimating the ternary adsorption kinetics of a multicomponent system. This work is licensed under a Creative Commons Attribution 4.0 International License.

Bone tissue engineering (BTE) is a fast growing field focused on the development of bioactive 3D porous scaffolds as temporary extracellular matrixes that support cell attachment, proliferation and differentiation, and stimulate bone tissue formation in vivo. Over more than ten years, our group has been devoted to developing new biomaterials and methods to prepare 3D porous scaffolds for BTE applications. The potential of natural porous structures such as marine skeletons, composite materials, and hydrogels based on biodegradable polymers and bioresorbable hydroxyapatite ceramics have been studied. In this paper, an overview of our research and main achievements, published in international scientific publications, is provided. This work is licensed under a Creative Commons Attribution 4.0 International License. Inženjerstvo koštanog tkiva brzorastuće je polje istraživanja usmjereno na razvoj bioaktivnih 3D poroznih nosača, kao privremenih izvanstaničnih matrica, koji podržavaju prianjanje, umnažanje i diferencijaciju stanica te potiču stvaranje koštanog tkiva in vivo. Više od deset godina istraživanja naše grupe posvećena su razvoju novih materijala i postupaka za pripravu 3D poroznih nosača za inženjerstvo koštanog tkiva. Kao mogući nosači istraživani su porozni skeleti morskih organizama te kompozitni materijali i hidrogelovi na temelju biorazgradljivih polimera i bioresorbirajuće hidroksiapatitne keramike. U ovom radu dan je prikaz naših istraživanja i glavnih postignuća, objavljenih u međunarodnim znanstvenim publikacijama. Ovo djelo je dano na korištenje pod licencom Creative Commons Imenovanje 4.0 međunarodna.

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.

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.

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

Polilaktidna kiselina (PLA) i bakterijska nanoceluloza (BNC) zbog svoje biorazgradljivosti, biokompatibilnosti i netoksičnosti imaju velik potencijal za primjenu u biomedicini. Cilj ovog rada bio je pripraviti i ispitati biokompozit PLA/BNC. Istražen je utjecaj BNC-a na morfološku strukturu, kemijski sastav, toplinska svojstva, toplinsku postojanost i hidrofobnost PLA te zasijavanje i rast stanica biokompozita PLA/BNC primjenom pretražnog elektronskog mikroskopa (SEM), infracrvene spektroskopije (FTIR), diferencijalne pretražne kalorimetrije (DSC) i termogravimetrijske analize (TGA) te određivanjem kontaktnog kuta i metodom MTT. Dodatkom BNC-a u PLA dolazi do pomaka staklišta (Tg) prema nižim temperaturama, što ukazuje na veću pokretljivost amorfne faze PLA te porasta stupnja kristalnosti zbog nukleacijskog učinka celuloze. Početak toplinske razgradnje pomaknut je na niže temperature u odnosu na čisti PLA, što ukazuje na smanjenje toplinske postojanosti PLA dodatkom BNC-a. Biokompozit PLA/BNC pokazuje poroznu, vlaknastu strukturu. Test zasijavanja stanica pokazao je da je biokompozit PLA/BNC pogodan za prihvaćanje i rast humanih stanica, pa je prema tome potencijalno primjenjiv u regenerativnoj medicini i tkivnom inženjerstvu. Ovo djelo je dano na korištenje pod licencom Creative Commons Imenovanje 4.0 međunarodna. Polylactic acid (PLA) and bacterial nanocellulose (BNC) are promising materials in medicine due to their biodegradability, biocompatibility, and non-toxicity. The aim of this work was to prepare and characterize the PLA/BNC biocomposite. Morphology, chemical composition, thermal properties, thermal stability, hydrophobicity and cell seeding, and growth of the PLA/BNC biocomposite were characterized by means of scanning electron microscopy (SEM), Fourier transform infrared spectra (FTIR), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), contact angle, and MTT method. DSC showed that the glass transition temperature (Tg) of PLA decreased with the addition of BNC due to higher mobility of amorphous PLA phase. The degree of crystallinity increased due to nucleation effect of cellulose. With the addition of BNC, the thermal stability of biocomposite decreased. The PLA/BNC biocomposite exhibited a porous, fibrous structure. The cell seeding test showed the PLA/BNC biocomposite to be suitable for growth of human cells, and therefore, potentially applicable in regenerative medicine and tissue engineering. This work is licensed under a Creative Commons Attribution 4.0 International License.

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.

Problem kako mjeriti znanstvenu produktivnost, a posebice njezinu kvalitetu, jedno je od onih pitanja na koje nikada neæemo dobiti jednoznačan odgovor. Razlog tome je činjenica da se znanstvena izvrsnost ne može egzaktno definirati. To podsjeća na neke izuzetno vaÞne pojmove u kemiji, kao što su to aromatičnost, hibridizacija atomskih orbitala i kutna (Baeyerova) napetost molekula, koji su uzidani u temelje ovog znanstvenog polja. Nema sumnje da ovi efekti postoje, ali se nažalost ne mogu strogo definirati. Unatoć tome, razvijeni su približni modeli, koji dobro opisuju spomenute neuhvatljive, ali važne fenomene. Zbog toga pitanje na koje ćemo pokušati dati odgovor u ovom prilogu glasi: postoji li kriterij izvrsnosti koji je s jedne strane jednostavan i praktičan, a s druge strane daje dovoljno dobru informaciju o natprosjećnim rezultatima postignutim u određenom razdoblju?

This study was carried out to verify the influence of drying parameters on phenolic and flavonoid compounds of apricots (Prunus armeniaca L.) treated with sucrose, NaCl, and sodium bisulphite solutions dried by microwave at different powers (200, 400, and 800 W). We used two extraction methods, namely, cold soaking and ultrasound-assisted extraction (UAE). Total phenolics and flavonoids in fresh and dried apricots and apricot dough were estimated using the Folin-Ciocalteu reagent and the aluminium trichloride method, respectively. Fresh apricot contained considerable amounts of polyphenols and flavonoids by the cold soaking and UAE (285.43 and 165.49 mg GAE/100 g DM and 48.57 and 12.11 mg QE/100 g DM, respectively). Analysis of the data showed that the decrease in polyphenol and flavonoid contents of the dried treated apricots compared to the fresh material was significant. The greatest losses of these nutrients were recorded when applying the ultrasonic extraction method. U ovom radu ispitan je utjecaj parametara sušenja na fenolne i flavonoidne spojeve marelica (Prunus armeniaca L.) tretiranih otopinama saharoze, natrijeva klorida i natrijeva bisulfita te sušene u mikrovalovoj pećnici pri različitim snagama (200, 400 i 800 W). Primijenjene su dvije metode ekstrakcije, hladno namakanje i ekstrakcija potpomognuta ultrazvukom (UAE). Ukupni fenoli u svježim i suhim marelicama te tijestu marelica određeni su primjenom Folin-Ciocalteu reagensa, dok su flavanoidi određeni metodom s aluminijevim(III) kloridom. Obje metode ekstrakcije pokazale su da je svježa marelica sadržavala znatne količine polifenola i flavonoida. U suženim marelicama zabilježene su znatno manje količine polifenola i flavanoida. Najveći gubici tih nutrijenata zabilježeni su prilikom primjene ekstrakcije potpomognute ultrazvukom.

The seeds of the castor oil plant (Ricinus communis L.) are commonly used for obtaining castor oil that has various use in several industries, such as chemical, pharmaceutical, agricultural, and other industrial sectors. It is utilised for the production of care products, such as soaps and shampoo, lubricants, plastics, etc. Previous research has shown the benefits of using castor oil as a biodiesel and a renewable energy source. The aim of this work was to determine the physical and chemical properties of castor oil. Physical and chemical properties of selected sample of castor oil were analysed according to standard analytical methods for fats and oils. The results of analysis showed that castor oil, due to its physical and chemical properties, has a potential and relevance in cosmetic and pharmaceutical application. It can be used as raw material in different formulations, as well as for production of valuable co-products, such as glycerol. Sjemenke biljke ricinusa (Ricinus communis L.) obično se upotrebljavaju za dobivanje ricinusova ulja, koje ima različitu primjenu u nekoliko industrija, kao što su kemijska, farmaceutska, poljoprivredna i druge industrijske grane. Upotrebljava se za proizvodnju sredstava za njegu, kao što su sapuni i šamponi, lubrikanti, plastika itd. Prethodna istraživanja pokazala su prednosti uporabe ricinusova ulja kao biodizela i obnovljivog izvora energije. Cilj ovog rada bio je odrediti fizička i kemijska svojstva ricinusova ulja. Fizička i kemijska svojstva odabranog uzorka ricinusova ulja analizirana su prema standardnim analitičkim metodama za masti i ulja. Rezultati analize pokazali su da ricinusovo ulje zbog svojih fizičkih i kemijskih svojstava ima potencijal i značaj u kozmetičkoj i farmaceutskoj primjeni. Može se upotrebljavati kao sirovina u različitim formulacijama, kao i za proizvodnju vrijednih nusproizvoda, poput glicerola.