Supplementary data for the article: Blagojević, J. P.; Janjić, G. V.; Zarić, S. D. Very Strong Parallel Interactions between Two Saturated Acyclic Groups Closed with Intramolecular Hydrogen Bonds Forming Hydrogen-Bridged Rings. Crystals 2016, 6 (4). https://doi.org/10.3390/cryst6040034

Supplementary material for: [https://doi.org/10.3390/cryst6040034]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1928

Дунавски лимес у Горњој Мезији: Локалитет Ћетаће-Радујевац, на ушћу Тимока у Дунав

Локалитет „Ћетаће“ надомак села Радујевац, с обзиром на упечатљив положај надомак ушћа Тимока у Дунав, на римском лимесу, али и назнаке врло ране изградње, свакако пружа једно од кључних решења у смислу подробније научне детерминације читавог подручја римских Акви (Aquae) – Прахово у војном, комуникационом, економском, рударском и царинском смислу. Након две археолошке кампање 2021. и 2022. године, као и на основу опсежних рекогноцирања ширег подручја, установљено је да је реч о хронолошки разуђеном налазишту из протоисторијског, римског и рановизантијског периода чији је војни и стратешки значај иманентан и односи се и на позније периоде све до савременог доба

La localité de Ćetaće au confluent de Timok et Danube sur le limes romain : Sources historiques et recherches archéologiques

On the basis of Procopius' writings and comparison with the factual situation on the ground after three archaeological campaigns, some conclusions could be drawn about the character of the Ćetaće locality and its ancient name.By etymological analysis of the toponyms Βουργονοβορε, one could assume that it is a corrupted name *Βουργονοβο. So *Βουργονοβο would be Romanic *Burgonovo (obviously a prepositional compound Burg-o-novo), in the obvious meaning of "new fortress/town (etc.)" (*Burgus Novus). It fits with the fact that it was built then, in the time of Justinian. Namely, it is about an archeologically confirmed late antique fortification near Radujevac, which, due to the devastation, cannot be explored archaeologically. On the other hand, Λακκοβουργο, the second fortification from Aquae towards Dorticum, since it goes together (τε και) with *Βουργονοβο (*Burgonovo), could be equally a Roman name and a compound. Where does this "κκ" come from? I think it is according to the Greek (co-radical) word λακκος. It would then be Roman *Lacc-o-burgo (Laccoburgus), which would mean "fortress/town (etc.) by/on a lake(s), perhaps also in the sense of some water reservoir, or perhaps by/on to a water tank, close to stagnant water, swamps, etc.'' Taking into account the mentioned data from the sources, the location of the site itself, the results of archaeological research and historical data in terms of the proximity of Aquae, which was the seat of one of the important mining districts of the Danuvii ripa, it could be assumed that there were also mining operations in Ćetaće (Laccoburgus?) perhaps cooling the heated metal with a large amount of water

Roman Limes in Serbia: New Researches and Perspectives in Negotin Region

In 2016, the Museum of Krajina in Negotin undertook an extensive field survey of the area under its responsibility to establish the actual state of preservation of the archaeological heritage, eligible for the preliminary list of sites on the Danube limes in Serbia to be nominated for the UNESCO World Heritage List. Till 2023, the Serbian Government, by the Ministry of Culture, financed several archaeological campaigns as well as reconstruction work that have been undertaken at the sites of Aquae (Prahovo), Clevora (Mora Vagei-Mihajlovac), and Laccoburgus (Ćetaće – Radujevac) to shed a new light on this critical and exciting part of Danubian limes. This region was largely and luckily preserved of flooding caused by the construction of the Iron Gate’s electric power system in the last decades of the 20th century. This important fact was one of the primary triggers for contemporary field research. Our contribution tends to expose and discuss the new scientific results that we have obtained so far, as well as to point out the importance of the remains of the Roman cultural heritage of the Negotin area that would significantly add to the growth and development of this region situated on the three-border between Serbia, Bulgaria, and Romania

New Archaeological Investigations on the Upper Moesian Limes. Ćetaće-Radujevac Site, Located in the Roman Aquae Region, at the Confluence of the Timok and Danube Rivers

Given its remarkable location in the vicinity of the confluence of the Timok and Danube rivers, on the Roman limes, as well as indications of very early construction, the site of Ćetaće near the village of Radujevac offers vital evidence for a closer characterization of the whole area of Roman Aquae (Prahovo) in terms of its military, communication, economic, mining and customs operation role. Based on two archaeological campaigns, in 2021 and 2022, and extensive field surveys of the broader area, the site has been determined to have several levels dating from the proto-historical, Roman and early Byzantine periods and retains an inherent military and strategic importance until in the contemporary period. As luck would have it, the site is located on a section of the Danube limes in Serbia which was not endangered by the construction of the hydroelectric power plants on the Danube. As far as the Roman period is concerned, the existence has been attested of the masonry defences and a corner tower of a fort built in the late first century which kept undergoing alterations and additions until the early Byzantine period. The partially established chronology has been confirmed by interesting finds

Supplementary data for article: Malenov, D. P.; Janjić, G. V.; Veljković, D. Ž.; Zarić, S. Mutual Influence of Parallel, CH/O, OH/Pi and Lone Pair/Pi Interactions in Water/Benzene/Water System. Computational and Theoretical Chemistry 2013, 1018, 59–65. https://doi.org/10.1016/j.comptc.2013.05.030

Supplementary material for: [https://doi.org/10.1016/j.comptc.2013.05.030]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1390

Very Strong Parallel Interactions Between Two Saturated Acyclic Groups Closed with Intramolecular Hydrogen Bonds Forming Hydrogen-Bridged Rings

Saturated acyclic four-atom groups closed with a classic intramolecular hydrogen bond, generating planar five-membered rings (hydrogen-bridged quasi-rings), in which at least one of the ring atoms is bonded to other non-ring atoms that are not in the ring plane and, thus, capable to form intermolecular interactions, were studied in this work, in order to find the preferred mutual positions of these species in crystals and evaluate strength of intermolecular interactions. We studied parallel interactions of these rings by analysing crystal structures in the Cambridge Structural Database (CSD) and by quantum chemical calculations. The rings can have one hydrogen atom out of the ring plane that can form hydrogen bonds between two parallel rings. Hence, in these systems with parallel rings, two types of hydrogen bonds can be present, one in the ring, and the other one between two parallel rings. The CSD search showed that 27% of the rings in the crystal structures form parallel interactions. The calculations at very accurate CCSD(T)/CBS level revealed strong interactions, in model systems of thiosemicarbazide, semicarbazide and glycolamide dimers the energies are -9.68, -7.12 and -4.25 kcal/mol. The hydrogen bonds between rings, as well as dispersion interactions contribute to the strong interaction energies.Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3659

On the representation error in data assimilation

Representation, representativity, representativeness error, forward interpolation error, forward model error, observation operator error, aggregation error and sampling error are all terms used to refer to components of observation error in the context of data assimilation. This paper is an attempt to consolidate the terminology that has been used in the earth sciences literature and was suggested at a European Space Agency workshop held in Reading in April 2014. We review the state-of-the-art, and through examples, motivate the terminology. In addition to a theoretical framework, examples from application areas of satellite data assimilation, ocean reanalysis and atmospheric chemistry data assimilation are provided. Diagnosing representation error statistics as well as their use in state-of-the-art data assimilation systems is discussed within a consistent framework