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1.
Senka Djaković Ivan Kodrin Vilko Smrečki Predrag Novak Zlatko Mihalić Dinko Žiher Jasmina Lapić Vladimir Rapić 《Tetrahedron》2014
In this study we present a synthesis and conformational analysis of 1′-acetylferrocene amino acid derivatives of type Ac–Fn–CO–AA–Y (Fn=ferrocene-1,1-diyl; AA=Gly, Ala or Val; Y=OMe or NHMe) as a simple model for parallel β-helical peptides. Derivatives with only one amino acid adopt a reduced number of total conformations and allow a more exact analysis of intramolecular hydrogen bonds (IHB) close to the ferrocene unit. Conformational analysis of these bioconjugates was performed by a combination of spectroscopic techniques (IR, NMR and CD) and corroborated by solution-phase DFT calculations. The investigation of ester conjugates 1–3 indicates the coexistence of non-bonded (an open forms) and hydrogen bonded NHa group forming a 7-membered ring (γ-turn). The amide derivatives 4–6 with an additional NHb hydrogen bond donor are mostly constituted of conformers with a 10-membered ring (β-turn) as a single IHB pattern or the β-turn accompanied by a 7-membered ring (γ-turn) containing NHa group. The exchange of the amino acid side-chain does not significantly affect the conformational properties and IHB pattern of the studied conjugates 1–6. 相似文献
2.
Irena ?aleta Ana ?iko? Dinko ?iher Ivica ?ilovi? Marko Duk?i Dubravka Gembarovski Ivan Grgi?evi? Mirjana Bukvi? Kraja?i? Darko Fili? Dubravka Matkovi?-?alogovi? Ivica Malnar Sulejman Alihod?i? 《Structural chemistry》2012,23(6):1785-1796
Macrolide aglycons (E)-9-hydroxyimino-6-O-methylerythronolide A (4), 9a-aza-9-deoxo-9,9-dihydro-9a,11-O-dimethyl-9a-homoerythronolide A (5) and 9a-aza-9-deoxo-9,9-dihydro-9a-homoerythronolide A (6) were prepared by multistep syntheses. A conformational study of these new macrolide aglycons was performed using single crystal X-ray crystallography to gain information about the solid state, while a combination of NMR spectroscopy and molecular modelling was employed to study the solution structures. The crystal structures were found to be stabilised by a complex network of hydrogen bonds and van der Waals interactions. To some extent, the same building motif of infinite molecular chains held together by O?CH···O hydrogen bonds was present in the crystal structure of all three compounds. Thorough analysis and comparison of the obtained solid state structures with their solution counterparts showed no significant differences between them, confirming the constrained flexibility of the macrocyclic ring. Moreover, in all three compounds, in both solution and solid state, the macrolactone ring adopts energetically more favoured folded-out conformations. 相似文献
3.
We have studied the photodissociation of water molecules at the ice/graphite interface in the presence of submonolayer amounts of potassium. The ice films were grown at cryogenic temperatures and ultrahigh vacuum conditions. They are transparent for 240-900 nm photons, but the strong light absorption in the uppermost layers of the graphite substrate generates energetic charge carriers that may drive photoreactions at the interface. Similar schemes have been demonstrated and investigated before in the monolayer regime, without an ice layer (D. Chakarov, M. Gleeson and B. Kasemo, J. Chem. Phys., 2001, 115, 9477). Here, using ice films of tens of monolayer thickness and with different morphologies, we have investigated the confinement effects due to the ice layer, and the ice permeability for reaction products. 相似文献
4.
This paper gives an overview and background of optical access network deployment in Croatia. Optical access network development in Croatia has been put into a global as well as in the European Union context. All the challenges and the driving factors for optical access networks deployment are considered. Optical access network architectures that have been deployed by most of the investors in Croatian telecommunication market are presented, as well as the architectures that are in early phase of deployment. Finally, an overview on current status of mobile networks of the fifth generation and Internet of Things is given. 相似文献
5.
We consider one-to-one matching problems under two modalities of uncertainty in which types are assigned to agents either with or without replacement. Individuals have preferences over the possible types of the agents from the opposite market side and initially know the ‘name’ but not the ‘type’ of their potential partners. In this context, learning occurs via matching and using Bayes’ rule. We introduce the notion of a stable and consistent outcome, and show how the interaction between blocking and learning behavior shapes the existence of paths to stability in each of these two uncertainty environments. Existence of stable and consistent outcomes then follows as a side result. 相似文献
6.
In this article, techno-economic analysis of a fiber-wireless access network is presented. With high bandwidth capacity of the gigabit passive optical network and with cost-effectiveness of very high throughput 802.11ac wireless local area networks that enable user mobility in the wireless segment, fiber-wireless access networks can be considered as an alternative to the fiber-to-the-home architecture for next generation access networks. Analysis based on the proposed scenario here, shows that a fiber-wireless access network is a more cost-effective solution in densely populated areas, but with some introduced improvements, even other geotypes can be considered as a commercially-viable solution. 相似文献
7.
Josip Vrdoljak Marko Kumric Tina Ticinovic Kurir Ivan Males Dinko Martinovic Marino Vilovic Josko Bozic 《Molecules (Basel, Switzerland)》2021,26(19)
With the rising prevalence of Inflammatory bowel disease (IBD) worldwide, and the rising cost of treatment with novel biological drugs, there is an increasing interest in various diets and natural foods as a potential way to control/modulate IBD. As recent data indicates that diet can modify the metabolic responses essential for the resolution of inflammation, and as wine compounds have been shown to provide substantial anti-inflammatory effect, in this review we aimed to discuss the current evidence concerning the impact of biological compounds present in wine on IBD. A number of preclinical studies brought forth strong evidence on the mechanisms by which molecules in wine, such as resveratrol or piceatannol, provide their anti-inflammatory, anti-oxidative, anti-tumor, and microbiota-modulation effects. However, concerning the effects of alcohol, it is still unclear how the amount of ethanol ingested within the framework of moderate wine consumption (1–2 glasses a day) affects patients with IBD, as human studies regarding the effects of wine on patients with IBD are scarce. Nevertheless, available evidence justifies the conductance of large-scale RCT trials on human subjects that will finally elucidate whether wine can offer real benefits to the IBD population. 相似文献
8.
We consider the problem of how societies should be partitioned into classes if individuals express their views about who should be put with whom in the same class. A non-bossy social aggregator depends only on those cells of the individual partitions the society members classify themselves in. This fact allows us to concentrate on a corresponding “opinion graph” for each profile of views. By means of natural sovereignty, liberalism, and equal treatment requirements, we characterize the non-bossy aggregators generating partitions in which the social classes are refinements of the weakly connected components of the opinion graph. 相似文献
9.
Two-sided coalitional matchings 总被引:1,自引:0,他引:1
Dinko Dimitrov 《Mathematical Social Sciences》2011,62(1):46-54
In a two-sided coalitional matching problem agents on each side of the market simultaneously form coalitions which then are matched to coalitions from the other market side. We assume that each agent has preferences over groups on his own market side and over groups on the opposite market side. These preferences are combined lexicographically as to examine how the existence of core stable partitions on the distinct market sides, the restriction of agents’ preferences over groups to strict orderings, and the extent to which individual preferences respect common rankings shape the existence of core stable coalitional matchings. 相似文献
10.
We are concerned with the problem of core membership testing for hedonic coalition formation games, which is to decide whether a certain coalition structure belongs to the core of a given game. We show that this problem is co-NP complete when players’ preferences are additive. 相似文献