Structure and spectroscopic properties of donor-acceptor pair with guanidinium and carboxylate group

U ovom radu modeliran je donorsko akceptorski sustav u kojem su donor i akceptor elektrona povezani karboksilatno-gvanidinskim mostom koji omogućava samoudruživanje prepoznavanjem karboksilne i gvanidinske skupine. Kao akceptor odabrana je 3,5-dinitrofenilna skupina, a kao donor fenilna, metoksifenilna, dimetilaminofenilna i naftalenska skupina. TD-DFT metodom su za 40 singletnih pobuđenih stanja izračunate vertikalne pobudne energije, pripadne oscilatorske jakosti, određena elektronska konfiguracija i simuliran apsorpcijski spektar. Utjecaj otapala na pobudne energije modeliran je korištenjem PCM modela. Zaključeno je da obje elektron donorske skupine na donoru stabiliziraju stanja s prijenosom elektrona (CT stanja) neovisno o orijentaciji solnog mosta. Također utjecaj dimetilamino skupine zbog veće -elektronske donorske sposobnosti na pobudnu energiju CT stanja je značajniji od utjecaja metoksilne skupine. U slučaju kompleksa s naftilgvanidinom dolazi do djelomične interne neutralizacije naboja na obje strane kompleksa što stabilizira CT stanje. Optimizacijom geometrije u pobuđenom CT stanju u dva odabrana kompleksa pokazano je da dolazi do velike geometrijeske reorganizacije približavanjem donorske i akceptorske podjedinice zbog jakih Coulombovih interakcija kroz prostor.Electron donor-acceptor pairs connected by the guanidinium-carboxylate salt bridge, which allows recognition and self-assembly, were studied by using TD-DFT calculations and PCM solvation model. The 3,5-dinitrophenyl group was selected as acceptor, and phenyl, metoxyphenyl, dimethylaminophenyl and naphthyl functional groups were used as donors enabling pull and push-pull effects. Vertical excitation energies, oscillator strengths and electronic configurations were determined for the 40 lowest laying singlet states. Also, the UV/Vis absorption spectra were simulated. It was concluded that both metoxy and dimethylamino groups stabilize charge-transfer (CT) states regardless of the salt bridge orientation. Dimethylamino group was more efficient in this stabilisation than metoxy group due to higher -electron donor ability. In complexes with naphthalene as donor, partial internal neutralisation of charges in CT states were detected. Geometry optimisation in the excited CT state in two selected examples showed that huge relaxation energy was a consequence of the geometry reorganisation by increasing edge to edge distance

Mechanochemical and Conformational Study of N-heterocyclic Carbonyl-Oxime Transformations

New mechanochemical pathways for the transformation of six N-heterocyclic carbonyl compounds into oximes using hydroxylamine hydrochloride were explored. Reactions were performed first without any base since the heterocyclic moieties (imidazole, benzimidazole, pyridine and quinuclidine) have an intrinsic basic nitrogen atom. This green, solvent free method was suitable for all compounds (up to quantitative yields) except for N-benzyl substituted imidazole and benzimidazole-2-carbaldehyde. For the slower reacting aldehydes, reactions with liquid assisted grinding and addition of sodium hydroxide were performed as well. Conformational analysis and quantum-chemical calculations revealed steric and electronic reasons for the lower reactivity of N-benzyl substituted derivatives

Emphysematous cystitis: a non-specific presentation

Emphysematous cystitis is a rare but serious urinary tract infection characterized by the presence of gas in the bladder wall and lumen, caused by gas-forming bacteria. This condition can lead to damage to the bladder wall, with possible rupture, sepsis, and death if left untreated. It is most commonly seen in older female patients and diabetics with multiple comorbidities

The Role of Environmental Impact Assessment in Rehabilitation and Conversion of Exploitation Fields

Prema postojećim važećim propisima za eksploataciju mineralnih sirovina potrebna je provedba procjene utjecaja zahvata na okoliš. Pri otvaranju eksploatacijskog polja projektna dokumentacija prema važećim propisima mora sadržavati i način sanacije prilikom zatvaranja. Međutim, dosadašnja praksa pokazuje da se sanaciji eksploatacijskih polja pristupa isključivo s tehničke strane koja podrazumijeva rudarske radove radi provedbe mjera osiguranja otkopanih prostora, kojima se isključuje mogućnost nastanka opasnosti za ljude i imovinu, kao i za prirodu i okoliš. Nerijetko se događa da se napuštena eksploatacijska polja ne saniraju, a prenamjena prostora se u sklopu tehničke sanacije niti ne uzima u obzir. Sa stajališta zaštite okoliša, iskorištavanje mineralnih sirovina ima daleko najveći negativni utjecaj, kako na krajobraznu tako i biološku raznolikost, najviše zbog devastiranog prostora koji ostaje nakon zatvaranja eksploatacijskog polja. U ovom radu prikazat će se mogućnosti provedbe prenamjene napuštenih eksploatacijskih polje te prepreke na koje se nailazi u pripremi projektne dokumentacije uključujući i postupak procjene utjecaja zahvata na okoliš na nekoliko konkretnih primjera.According to existing regulations for the exploitation of mineral resources, it is necessary to carry out environmental impact assessment. When opening the exploitation field, the project documentation must, in accordance with the regulations in force, also contain the method of recovery for the closed exploitation field.However, the practice so far shows that recovery of the exploitation fields approaches exclusively from the technical point of view which implies mining works for the implementation of protection measures of the excavated areas and exclude the possibility of endangerment of people, property, nature and the environment. It often happens that the abandoned exploitation fields are not recovered and rehabilitation of the exploited field is not considered as part of the technical recovery. From the point of view of environmental protection, the exploitation of mineral resources has far the greatest negative impact, both on landscape and biodiversity, mostly due to the devastated space that remains after the exploitation field is closed.This paper will show the possibilities of rehabilitation and conversion of the abandoned exploitation fields and the obstacles encountered in the preparation of project documentation, including the environmental impact assessment procedure on several examples

Primarni maligni limfom tijela maternice: prikaz slučaja

Primary malignant lyphoma of the genital tract is a rare disease. It’s frequency has been reported to be less than 1% among extranodal lymphoma in women. The main symptoms are abnormal vaginal bleeding, unclear abdominal/pelvic pain, dyspareunia and/or urinary obstruction. We present a 77-year old woman with a primary malignant lymphoma of the uterine corpus. Non-Hodgkin diffuse large B cell lymphoma was diagnosed in a curett age specimen. Positron emission tomography/ computed tomography (PET-CT) fi ndings showed a lesion confined to the uterus without evidence of disease in the head, neck, chest or abdomen. There were no enlarged lymph nodes. The patient was treated by chemotherapy.Primarni maligni limfom genitalnog trakta je rijetka bolest. Učestalost je manja od 1% među limfomima izvan limfnih čvorova. Glavni simptomi su abnormalno vaginalno krvarenje, nejasna abdominalna/zdjelična bol, dispareunija i/ili urinarna opstrukcija. Mi predstavljamo slučaj 77-godišnje pacijentice sa primarnim malignim limfomom tijela maternice. Non-Hodgkin difuzni velikostanični B limfom je dijagnosticiran u uzorku frakcionirane kiretaže. Imunohistokemijsko bojanje je potvrdilo dijagnozu. PET/CT je potvrdio bolest unutar maternice bez znakova bolesti u glavi, vratu, prsima ili trbuhu. Nije bilo uvećanih limfnih čvorova. Pacijentica je liječena kemoterapijom

Estimation of Inflammatory Potential of Diet

Unos hrane bogate energijom, mastima i ugljikohidratima, ali siromašne vlaknima, fitokemikalijama, vitaminima i mineralima, uvelike utječe na fiziološke procese u organizmu, a ponajprije na razvoj upalnih stanja i bolesti. Ovim preliminarnim istraživanjem određen je inflamatorni indeks hrane (DII) šest osoba veganske i šest osoba omnivorske prehrane. Ispitanici su popunili anketu s osnovnim demografskim i antopometrijskim podacima i trodnevni dnevnik prehrane (dva radna dana i jedan dan vikenda). Aplikacija za izračun nutrijenata na temelju unosa hrane nadopunjena je literaturnim razinama polifenola, trans masti i kafeina. Ustanovljen je značajno viši unos ugljikohidrata i vlakana kod veganske podskupine, dok su omnivori unosili više proteina, zasićenih i mononezasićenih masti. Prema prosječnim vrijednostima, ispitanici ovog istraživanja zadovoljili su potrebe za vitaminima B1, B2, B3 i B6, dok su manje od preporuka bile vrijednosti za vitamin B9 kod obje skupine i vitamin B12 kod vegana. Omnivori nisu zadovoljili preporuke za unos vitamina A i C, za razliku od vegana. Veganska prehrana također je rezultirala većim unosom kalcija, magnezija, bakra, željeza i polifenola. Utvrđen je značajno veća prosječna DII vrijednost omnivora (4,238) u odnosu na vegane (0,124). Najveću negativnu korelaciju s inflamatornim indeksom hrane pokazali su ugljikohidrati, vlakna, kalcij, željezo, magnezij, cink, bakar, vitamin A, karoteni, vitamin B6, B9, vitamin C, flavoni, flavonoli, flavononi, antocijanidini te izoflavoni. Ostale komponente nisu bile statistički značajno povezane s vrijednošću DII-a. Rezultati upućuju na to da prehrana bogata biljnim namirnicama, niskog udjela masti, a visokog udjela vlakana, fitokemikalija, vitamina i minerala, rezultira nižim inflamatornim indeksom hrane, što nadalje znači da je i proupalni potencijal takve prehrane manji u odnosu na prehranu bogatu animalnim namirnicama visokog udjela kalorija, ukupnih, zasićenih i trans masti.Foods rich in energy, fats, and carbohydrates, but poor in fiber, phytochemicals, vitamins and minerals greatly affect physiological processes in the body, primarily through development of inflammatory conditions and diseases. This preliminary research determined the dietary inflammatory index (DII) of six people consuming vegan, and six people eating omnivorous diets. Respondents filled out a survey with basic demographic and anthropometric data, and a three-day food diary (two weekdays and one weekend day). An application for calculating nutrients based on food intake was supplemented with literary levels of polyphenols, trans fats and caffeine. A significantly higher intake of carbohydrates and fiber was found in the vegan subgroup, while omnivores consumed more protein, saturated, and monosaturated fats. On average, the subjects of this research had adequate intakes of vitamins B1, B2, B3, and B6, while below recommendations were the intakes of vitamin B9 in both groups, and vitamin B12 in vegans. As opposed to vegans, omnivores had inadequate intakes of vitamin A and C. A vegan diet also resulted in higher intakes of calcium, magnesium, copper, iron and polyphenols. A significantly higher DII score was determined for omnivores (4.238) compared to vegans (0.124). Carbohydrates, fiber, calcium, iron, magnesium, zinc, copper, vitamin A, carotenes, vitamin B6, B9, vitamin C, flavones, flavonols, flavonones, anthocyanidins, and isoflavones were strongly negatively correlated with DII score. Other components did not have a statistically significant correlation with DII score. These results indicate that a plant-based diet, low in fat, and high in fiber, phytochemicals, vitamins and minerals results in a lower dietary inflammatory index, which in turn means that the inflammatory potential of such a diet is lower compared to a diet rich in animal foods with high contents of calories, total, saturated, and trans fats

STRATEŠKA ANALIZA PODUZEĆA „SELECT FOOD“ : Završni rad

U prvom, uvodnom dijelu, definiran je problem istraživanja,kao i ciljevi,metode te strukturni sadržaj rada. U drugom dijelu rada definirani su pojmovi i odrednice strategije,strateškog menadžmenta, strateške analize, analize okoline kao i misija i vizija poduzeća uz odgovarajuće informacije. U trećem dijelu rada navedene su osnovne informacije o poduzeću „Select food“ te je provedena strateška analiza na primjeru navedenog poduzeća. Korištene su analiza opće okoline, analiza poslovne okoline, analiza strukture konkurencije te SWOT analiza. Također su objašnjene misija i vizija poduzeća kao i organizacijska struktura i financijska izvješća. U zaključku su rezimirani rezultati praktične analize te je naveden generalni osvrt na poslovanje poduzeća „Select food“.In the first, introductory part, the research problem is defined, as well as the goals, methods and structural content of the paper. The second part of the paper defines the concepts and determinants of strategy, strategic management, strategic analysis, environmental analysis as well as the mission and vision of the company with appropriate information. The third part of the paper provides basic information about the company "Select food" and a strategic analysis is performed on the example of this company. Analysis of the general environment, analysis of the business environment, analysis of the structure of competition and SWOT analysis were used. The mission and vision of the company as well as the organizational structure and financial reports are also explained. In the conclusion, the results of the practical analysis are summarized and a general overview of the business of the company "Select food" is given

Fizioterapija kod djece s Downovim sindromom

U ovom radu je pisano o djeci s Downovim sindromom, genetskom poremećaju s kojim se rodi jedno od 650 novorođene djece. Kratko je opisana povijest koju je započeo Esquirol 1838. godine, a jako važnu uloga ima i John Langdon Down, po kojemu je ovaj sindrom i dobio ime. Pisano je o njihovim zdravstvenim problemima, koji su nažalost mnogobrojni. Najveća pažnja je dana problemima koji se obrađuju u fizioterapiji, problemi lokomotornog i neuromišićnog sustava, a tu su bili: hipotonija, hipermobilnost, problemi balansa, grube motoričke sposobnosti (posebice problem hoda) te gustoće koštane mase. Za svaki problem je opisano određeno testiranje, fizioterapijska procjena, koje fizioterapeut vrši te je određena prikladna fizioterapijska intervencija, čiji je učinak potvrđen analizom istraživanja. Svakom oboljelom treba odrediti plan intervencije individualno, preteći njegov napredak te je sa terapijom poželjno krenuti što ranije kako bi se postigli što bolji rezultati u konačnici. Postoje mnoge intervencije koje uvelike pospješuju kvalitetu života djece s Downovim sindromom te im daju podlogu za kvalitetniji daljnji život. U Hrvatskoj, najčešće Vojta i Bobath terapeuti vrše terapiju s djecom s Downovim sindromom. Spomenutim terapijama bilježimo vrlo pozitivne rezultate. Svjetski dan osoba s Downovim sindromom se obilježava 21. ožujka, kada ih trebamo podržati nošenjem rasparenih šarenih čarapa

STRATEŠKA ANALIZA PODUZEĆA „SELECT FOOD“ : Završni rad

U prvom, uvodnom dijelu, definiran je problem istraživanja,kao i ciljevi,metode te strukturni sadržaj rada. U drugom dijelu rada definirani su pojmovi i odrednice strategije,strateškog menadžmenta, strateške analize, analize okoline kao i misija i vizija poduzeća uz odgovarajuće informacije. U trećem dijelu rada navedene su osnovne informacije o poduzeću „Select food“ te je provedena strateška analiza na primjeru navedenog poduzeća. Korištene su analiza opće okoline, analiza poslovne okoline, analiza strukture konkurencije te SWOT analiza. Također su objašnjene misija i vizija poduzeća kao i organizacijska struktura i financijska izvješća. U zaključku su rezimirani rezultati praktične analize te je naveden generalni osvrt na poslovanje poduzeća „Select food“.In the first, introductory part, the research problem is defined, as well as the goals, methods and structural content of the paper. The second part of the paper defines the concepts and determinants of strategy, strategic management, strategic analysis, environmental analysis as well as the mission and vision of the company with appropriate information. The third part of the paper provides basic information about the company "Select food" and a strategic analysis is performed on the example of this company. Analysis of the general environment, analysis of the business environment, analysis of the structure of competition and SWOT analysis were used. The mission and vision of the company as well as the organizational structure and financial reports are also explained. In the conclusion, the results of the practical analysis are summarized and a general overview of the business of the company "Select food" is given

Estimation of Inflammatory Potential of Diet

Unos hrane bogate energijom, mastima i ugljikohidratima, ali siromašne vlaknima, fitokemikalijama, vitaminima i mineralima, uvelike utječe na fiziološke procese u organizmu, a ponajprije na razvoj upalnih stanja i bolesti. Ovim preliminarnim istraživanjem određen je inflamatorni indeks hrane (DII) šest osoba veganske i šest osoba omnivorske prehrane. Ispitanici su popunili anketu s osnovnim demografskim i antopometrijskim podacima i trodnevni dnevnik prehrane (dva radna dana i jedan dan vikenda). Aplikacija za izračun nutrijenata na temelju unosa hrane nadopunjena je literaturnim razinama polifenola, trans masti i kafeina. Ustanovljen je značajno viši unos ugljikohidrata i vlakana kod veganske podskupine, dok su omnivori unosili više proteina, zasićenih i mononezasićenih masti. Prema prosječnim vrijednostima, ispitanici ovog istraživanja zadovoljili su potrebe za vitaminima B1, B2, B3 i B6, dok su manje od preporuka bile vrijednosti za vitamin B9 kod obje skupine i vitamin B12 kod vegana. Omnivori nisu zadovoljili preporuke za unos vitamina A i C, za razliku od vegana. Veganska prehrana također je rezultirala većim unosom kalcija, magnezija, bakra, željeza i polifenola. Utvrđen je značajno veća prosječna DII vrijednost omnivora (4,238) u odnosu na vegane (0,124). Najveću negativnu korelaciju s inflamatornim indeksom hrane pokazali su ugljikohidrati, vlakna, kalcij, željezo, magnezij, cink, bakar, vitamin A, karoteni, vitamin B6, B9, vitamin C, flavoni, flavonoli, flavononi, antocijanidini te izoflavoni. Ostale komponente nisu bile statistički značajno povezane s vrijednošću DII-a. Rezultati upućuju na to da prehrana bogata biljnim namirnicama, niskog udjela masti, a visokog udjela vlakana, fitokemikalija, vitamina i minerala, rezultira nižim inflamatornim indeksom hrane, što nadalje znači da je i proupalni potencijal takve prehrane manji u odnosu na prehranu bogatu animalnim namirnicama visokog udjela kalorija, ukupnih, zasićenih i trans masti.Foods rich in energy, fats, and carbohydrates, but poor in fiber, phytochemicals, vitamins and minerals greatly affect physiological processes in the body, primarily through development of inflammatory conditions and diseases. This preliminary research determined the dietary inflammatory index (DII) of six people consuming vegan, and six people eating omnivorous diets. Respondents filled out a survey with basic demographic and anthropometric data, and a three-day food diary (two weekdays and one weekend day). An application for calculating nutrients based on food intake was supplemented with literary levels of polyphenols, trans fats and caffeine. A significantly higher intake of carbohydrates and fiber was found in the vegan subgroup, while omnivores consumed more protein, saturated, and monosaturated fats. On average, the subjects of this research had adequate intakes of vitamins B1, B2, B3, and B6, while below recommendations were the intakes of vitamin B9 in both groups, and vitamin B12 in vegans. As opposed to vegans, omnivores had inadequate intakes of vitamin A and C. A vegan diet also resulted in higher intakes of calcium, magnesium, copper, iron and polyphenols. A significantly higher DII score was determined for omnivores (4.238) compared to vegans (0.124). Carbohydrates, fiber, calcium, iron, magnesium, zinc, copper, vitamin A, carotenes, vitamin B6, B9, vitamin C, flavones, flavonols, flavonones, anthocyanidins, and isoflavones were strongly negatively correlated with DII score. Other components did not have a statistically significant correlation with DII score. These results indicate that a plant-based diet, low in fat, and high in fiber, phytochemicals, vitamins and minerals results in a lower dietary inflammatory index, which in turn means that the inflammatory potential of such a diet is lower compared to a diet rich in animal foods with high contents of calories, total, saturated, and trans fats