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In response to the environmental impacts of conventional polyurethane adhesives derived from fossil fuels, this study introduces a sustainable alternative utilizing lignin-based polyols extracted from rice straw through a process developed at INESCOP. This research explores the partial substitution of traditional polyols with lignin-based equivalents in the synthesis of reactive hot melt polyurethane adhesives (HMPUR) for the footwear industry. The performance of these eco-friendly adhesives was rigorously assessed through Thermogravimetric Analysis (TGA), Differential Scanning Calorimetry (DSC), rheological analysis, and T-peel tests to ensure their compliance with relevant industry standards. Preliminary results demonstrate that lignin-based polyols can effectively replace a significant portion of fossil-derived polyols, maintaining essential adhesive properties and marking a significant step towards more sustainable adhesive solutions. This study not only highlights the potential of lignin in the realm of sustainable adhesive production but also emphasises the valorisation of agricultural by-products, thus aligning with the principles of green chemistry and sustainability objectives in the polymer industry.

The relationship between numismatic research and archaeological stratigraphy is one of the most significant resources for defining the economic and social mechanisms of the Middle Ages. A numismatic assemblage comprising 146 coins – mostly unpublished – recovered from the late sixth-century Visigothic settlement of Reccopolis in Guadalajara, Spain, is the focus of this study. Through characterisation of the deposits and monetary finds it has been possible to establish a contextual interpretation in which indicators of durability, continuity and rituality in the use of currency can be observed. In connection with this, a substantial number of coins have been found concentrated in specific sectors of the site, especially in the neighbourhood of the church, where the foundational value of some hoards has been reinterpreted. This study establishes a constant connection between chronological dating and stratigraphic contextualisation, exploring the complex periods of continuity in use of certain specimens, while also stressing the importance of interpreting coinage within wider material assemblages.

Historical cartography continues to be an essential resource in developing strategies for the analysis of anthropised landscapes. In recent years, the digitisation and conversion of a large number of pre-20th-century maps to modern geographic coordinate systems and data hierarchisation in GIS-integrated databases have opened up huge possibilities. In this paper, we highlight some of the advantages and issues that we observed in using historical cartography in the Iberian Peninsula heartlands by comparing archaeological data, textual sources and maps and various levels of information obtained for our area of study: the southeast of the present-day province of Guadalajara, Spain. Using the longue durée approach conceptualised by Fernand Braudel (1976), historical cartography enabled us to delve deeper into two essential aspects, land use and the road network, while providing elements of diachrony that suggest changes in the landscape in specific and disruptive periods.

[EN] The expansion of the Visigothic Kingdom in the second half of the 6th century was largely supported by the erection or reconstruction of several urban complexes and their fortifications, of which in recent decades we are beginning to have extensive information (namely Valencia la Vella in Ribarroja; Tolmo de Minateda in Hellín; Punt del Cid in Almenara; Begastri in Cehegín). Among all of them, the urban nucleus of Reccopolis stands out, with a walled enclosure of almost 2 km perimeter, being one of the most extensive known defensive circuits in the Iberian Peninsula. The analysis of its constructive characteristics from an extensive photogrammetric study, with the support of LIDAR images, as well as the review of the archaeological interventions has allowed us to establish a comparative framework with other peninsular enclosures and with Byzantine Africa, which indicates the existence of a common context of defensive uses and exaltation of power through the use of military architecture, [ES] La expansión del reino visigodo en la segunda mitad del siglo VI se apoyó en buena medida en el levantamiento o reconstrucción de varios conjuntos urbanos y de sus fortificaciones, de los que en las últimas décadas comenzamos a tener una información amplia (Valencia la Vella, Ribarroja; Tolmo de Minateda, Hellín; Punt del Cid, Almenara; Begastri, Cehegín). Entre todos ellos, destaca el núcleo urbano de Reccopolis dotado de un recinto amurallado de casi 2 km de perímetro, siendo uno de los más extensos hasta ahora conocidos en la península ibérica. El análisis de sus características constructivas a partir de un amplio estudio fotogramétrico, con apoyo de imágenes LIDAR, así como la revisión de las intervenciones arqueológicas ha permitido establecer un marco comparativo con otros recintos peninsulares y con la África bizantina, que señala la existencia de un contexto común de usos defensivos y de exaltación del poder a través del empleo de la arquitectura militar.

There is a lack of individual and overarching studies of defensive systems after the Roman collapse in the West, as well as of urban defences in Hispania during the Visigothic period. A key site for questioning the latter is the walled royal Visigothic foundation of Reccopolis. The first excavations on Reccopolis’ circuit wall began in the 1980s, and later investigations were carried out in some areas of the defensive system. However, until now no comprehensive analysis has brought together the evidence from all of these excavations, LiDAR scans, a 3 D survey of the extant structure, and a set of new radiocarbon dates. All of these data allow us to interpret what is so far the only Visigothic defensive curtain wall whose entire layout is known, as well as to explore parallels with Byzantine military forms. This paper highlights the urban and architectural value, but also the apparent uniqueness, of the Reccopolis enceinte within the Iberian Peninsula.

Brimeda is a village in the municipality of Villaobispo de Otero, located about 3.5 km north of Astorga (León). A document from the year 878 describes Brimeda as a repopulation town, with a founding act in the year 854. The document precisely details the tasks of constitution of the new population, which included not only the construction of an urban nucleus, but also the design of an agricultural parcel for the rural population. A systematic survey, which aims the recovery of off-site material in the cultivation spaces of the town, confirms the data provided by the document, indicating that the village arises as a result of an organized colonization process, apparently with no history of previous human occupation. Likewise, the study of the ceramic material dispersion pattern dated in the medieval period suggests that its incorporation into the fields has occurred through the practice of fertilizing farmland with domestic garbage.

Covalent adaptable networks (CANs) represent a pioneering advance in polymer science, offering unprecedented versatility in materials design. Unlike conventional adhesives with irreversible bonds, CAN-based polyurethane adhesives have the unique ability to undergo chemical restructuring through reversible bonds. One of the strategies for incorporating these types of reactions in polyurethanes is by functionalisation with Diels–Alder (DA) adducts. By taking advantage of the reversible nature of the DA chemistry, the adhesive undergoes controlled crosslinking and decrosslinking processes, allowing for precise modulation of bond strength. This adaptability is critical in applications requiring reworkability or recyclability, as it allows for easy disassembly and reassembly of bonded components without compromising the integrity of the material. This study focuses on the sustainable synthesis and characterisation of a solvent-based polyurethane adhesive, obtained by functionalising a polyurethane prepolymer with DA diene and dienophiles. The characterisation of the adhesives was carried out using different experimental techniques: nuclear magnetic resonance spectroscopy (NMR), Brookfield viscosity, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and T-peel strength testing of leather/adhesive/rubber joints to determine the adhesive properties, both before and after the application of external stimuli. The conversion of both the DA and retro-Diels–Alder (r-DA) reactions was confirmed by 1H-NMR. The adhesive properties were not altered by the functionalisation of the adhesive prepolymer, showing similar thermal resistance and good rheological and adhesive properties, even exceeding the most demanding technical requirements for upper-to-sole joints in footwear. After the application of an external thermal stimuli, the bonded materials separated without difficulty and without damage, thus facilitating their separation, recovery and recycling.

Historical cartography continues to be an essential resource in developing strategies for the analysis of anthropised landscapes. In recent years, the digitisation and conversion of a large number of pre-20th-century maps to modern geographic coordinate systems and data hierarchisation in GIS-integrated databases have opened up huge possibilities. In this paper, we highlight some of the advantages and issues that we observed in using historical cartography in the Iberian Peninsula heartlands by comparing archaeological data, textual sources and maps and various levels of information obtained for our area of study: the southeast of the present-day province of Guadalajara, Spain. Using the longue durée approach conceptualised by Fernand Braudel (1976), historical cartography enabled us to delve deeper into two essential aspects, land use and the road network, while providing elements of diachrony that suggest changes in the landscape in specific and disruptive periods.

[EN] From the fourth century until the sixth, coinciding with the last centuries of the Roman Empire and the consolidation of the Suevic and Visigothic Kingdoms in the Iberian Peninsula, important transformations in both the urban and rural contexts took place. In some cases, the phenomena could probably have their origin in dates before the formation of the Suevi and Visigoth kingdoms, but other changes seem to derive from processes set in motion by the creation of new states in the Iberian Peninsula. Archaeological research reveals important transformations in both urban and rural areas in this period. However, the urban and rural spaces have often been analyzed independently, without addressing the differences they experience in their evolution. In this study we seek to assess changes in both contexts, through close analysis of two cities with different urban evolutions, namely Asturica and Albocela. For each we will evaluate the varied impacts on their respective territories, especially in terms of the types of rural habitat and exploitation., [ES] Entre el siglo IV y el VI, se observan importantes transformaciones tanto en el espacio urbano como en el rural en la península ibérica. En algunos aspectos, los fenómenos que se detectan tienen su origen en fechas anteriores a la formación de los reinos suevo y visigodo. Otros cambios parecen derivar de procesos puestos en marcha por la creación de nuevos estados en el espacio peninsular. La investigación arqueológica revela importantes transformaciones tanto en el ámbito urbano como en el rural en este periodo. Sin embargo, el espacio urbano y el rural se analizan con frecuencia de forma independiente, sin abordar las diferencias que a veces experimentan en su evolución. En este estudio se aborda el análisis de los cambios en dos ciudades que viven evoluciones urbanas diferentes, Asturica y Albocela, prestando especial atención a la evolución de los espacios de hábitat rural respectivos y confrontándolos con la evolución de los centros urbanos de los que dependen

We present a very intriguing set of finds coming from Tragaluz Norte, one of the most inaccessible rock shelters in the Vero canyon, which runs north to south through the Sierra de Guara, in the Huesca province (north-east Spain). There, a skeleton from a 9-years-old child with his toy wooden bow as well as other elements (pieces of wood, fabric and pottery, and a stone wall) were found. The whole ensemble belongs to a single moment in the second half of the 4th century CE. We hypothesize that this child was part of a group of rural laborers who died accidentally and was buried there. As an explanation for their presence in such an inaccessible place we think that they could be gathering honey from man-made cane and mud honeycombs -locally called arnas-, a task documented in the area until recent times.

[EN] Reccopolis is the only archaeologically-attested Visigothic city in the Iberian Peninsula. Founded under King Leovigild in A.D. 576, the city played a notable role in the landscape, persisting as the focal point in the territory until the 8th century AD. This paper offers an overview of the most recent results from the project undertaken around Reccopolis, whose landscape has been explored as a social construction, which enables a fuller understanding of the agrosystem. Indeed, considering the paleo-biological and environmental data, together with the archaeological ones, it has been possible to analyze the evolution across the Early Middle Ages of this complex territory in the Central Plateau of the Iberian Peninsula., [ES] Recópolis es la única fundación visigoda conocida arqueológicamente en la península ibérica. Creada durante el reinado del rey Leovigildo en el año 576, la ciudad jugó un papel crucial en el paisaje y se mantuvo como el punto focal del territorio hasta el siglo VIII. En este artículo presentamos los resultados más recientes del proyecto realizado en torno a Recópolis, en el que el paisaje se ha explorado como una construcción social, lo que permite una comprensión más completa del agrosistema. De hecho, considerando los datos paleo-biológicos y ambientales, junto con los arqueológicos, ha sido posible analizar la evolución de este complejo territorio de la Meseta Central de la península ibérica en la Alta Edad Media

Reccopolis is the sole archaeologically-attested Visigothic city foundation in the Iberian Peninsula. Created under King Leovigild in A.D. 576, the city played a notable role in the landscape, persisting as the focal point of the territory through to the 8th century AD. This paper offers an overview of the most recent results from the project undertaken in and around Reccopolis, which in the last two decades has drawn much from the discipline of Landscape Archeology, enabling fuller understanding of the agrosystem, the character and structure of rural occupation and exploitation, and a developed awareness of environmental conditions across the Early Middle Ages in the territory of the Central Plateau of the Iberian Peninsula.

Entre el siglo IV y el VI, se observan importantes transformaciones tanto en el espacio urbano como en el rural en la península ibérica. En algunos aspectos, los fenómenos que se detectan tienen su origen en fechas anteriores a la formación de los reinos suevo y visigodo. Otros cambios parecen derivar de procesos puestos en marcha por la creación de nuevos estados en el espacio peninsular. La investigación arqueológica revela importantes transformaciones tanto en el ámbito urbano como en el rural en este periodo. Sin embargo, el espacio urbano y el rural se analizan con frecuencia de forma independiente, sin abordar las diferencias que a veces experimentan en su evolución. En este estudio se aborda el análisis de los cambios en dos ciudades que viven evoluciones urbanas diferentes, Asturica y Albocela, prestando especial atención a la evolución de los espacios de hábitat rural respectivos y confrontándolos con la evolución de los centros urbanos de los que dependen., From the fourth century until the sixth, coinciding with the last centuries of the Roman Empire and the consolidation of the Suevic and Visigothic Kingdoms in the Iberian Peninsula, important transformations in both the urban and rural contexts took place. In some cases, the phenomena could probably have their origin in dates before the formation of the Suevi and Visigoth kingdoms, but other changes seem to derive from processes set in motion by the creation of new states in the Iberian Peninsula. Archaeological research reveals important transformations in both urban and rural areas in this period. However, the urban and rural spaces have often been analyzed independently, without addressing the differences they experience in their evolution. In this study we seek to assess changes in both contexts, through close analysis of two cities with different urban evolutions, namely Asturica and Albocela. For each we will evaluate the varied impacts on their respective territories, especially in terms of the types of rural habitat and exploitation.

Botulinum neurotoxins (BoNTs) are exceptionally toxic proteins that cause paralysis but are also extensively used as treatment for various medical conditions. Most BoNTs bind two receptors on neuronal cells, namely, a ganglioside and a protein receptor. Differences in the sequence between the protein receptors from different species can impact the binding affinity and toxicity of the BoNTs. Here we have investigated how BoNT/B, /DC, and /G, all three toxins that utilize synaptotagmin I and II (Syt-I and Syt- II, respectively) as their protein receptors, bind to Syt-I and -II of mouse/rat, bovine, and human origin by isothermal titration calorimetry analysis. BoNT/G had the highest affinity for human Syt-I, and BoNT/DC had the highest affinity for bovine Syt-II. As expected, BoNT/B, /DC, and /G showed very low levels of binding to human Syt-II. Furthermore, we carried out saturation transfer difference (STD) and STD-TOCSY NMR experiments that revealed the region of the Syt peptide in direct contact with BoNT/G, which demonstrate that BoNT/G recognizes the Syt peptide in a model similar to that in the established BoNT/B-Syt-II complex. Our analyses also revealed that regions outside the Syt peptide's toxin-binding region are important for the helicity of the peptide and, therefore, the binding affinity.

Botulinum neurotoxins (BoNTs) are exceptionally toxic proteins that cause paralysis but are also extensively used as treatment for various medical conditions. Most BoNTs bind two receptors on neuronal cells, namely, a ganglioside and a protein receptor. Differences in the sequence between the protein receptors from different species can impact the binding affinity and toxicity of the BoNTs. Here we have investigated how BoNT/B, /DC, and /G, all three toxins that utilize synaptotagmin I and II (Syt-I and Syt-II, respectively) as their protein receptors, bind to Syt-I and -II of mouse/rat, bovine, and human origin by isothermal titration calorimetry analysis. BoNT/G had the highest affinity for human Syt-I, and BoNT/DC had the highest affinity for bovine Syt-II. As expected, BoNT/B, /DC, and /G showed very low levels of binding to human Syt-II. Furthermore, we carried out saturation transfer difference (STD) and STD-TOCSY NMR experiments that revealed the region of the Syt peptide in direct contact with BoNT/G, which demonstrate that BoNT/G recognizes the Syt peptide in a model similar to that in the established BoNT/B-Syt-II complex. Our analyses also revealed that regions outside the Syt peptide’s toxin-binding region are important for the helicity of the peptide and, therefore, the binding affinity.

Botulinum neurotoxins (BoNTs) are exceptionally toxic proteins that cause paralysis but are also extensively used as treatment for various medical conditions. Most BoNTs bind two receptors on neuronal cells, namely, a ganglioside and a protein receptor. Differences in the sequence between the protein receptors from different species can impact the binding affinity and toxicity of the BoNTs. Here we have investigated how BoNT/B, /DC, and /G, all three toxins that utilize synaptotagmin I and II (Syt-I and Syt-II, respectively) as their protein receptors, bind to Syt-I and -II of mouse/rat, bovine, and human origin by isothermal titration calorimetry analysis. BoNT/G had the highest affinity for human Syt-I, and BoNT/DC had the highest affinity for bovine Syt-II. As expected, BoNT/B, /DC, and /G showed very low levels of binding to human Syt-II. Furthermore, we carried out saturation transfer difference (STD) and STD-TOCSY NMR experiments that revealed the region of the Syt peptide in direct contact with BoNT/G, which demonstrate that BoNT/G recognizes the Syt peptide in a model similar to that in the established BoNT/B-Syt-II complex. Our analyses also revealed that regions outside the Syt peptide’s toxin-binding region are important for the helicity of the peptide and, therefore, the binding affinity.

Entre el siglo IV y el VI, se observan importantes transformaciones tanto en el espacio urbano como en el rural en la península ibérica. En algunos aspectos, los fenómenos que se detectan tienen su origen en fechas anteriores a la formación de los reinos suevo y visigodo. Otros cambios parecen derivar de procesos puestos en marcha por la creación de nuevos estados en el espacio peninsular. La investigación arqueológica revela importantes transformaciones tanto en el ámbito urbano como en el rural en este periodo. Sin embargo, el espacio urbano y el rural se analizan con frecuencia de forma independiente, sin abordar las diferencias que a veces experimentan en su evolución. En este estudio se aborda el análisis de los cambios en dos ciudades que viven evoluciones urbanas diferentes, Asturica y Albocela, prestando especial atención a la evolución de los espacios de hábitat rural respectivos y confrontándolos con la evolución de los centros urbanos de los que dependen., From the fourth century until the sixth, coinciding with the last centuries of the Roman Empire and the consolidation of the Suevic and Visigothic Kingdoms in the Iberian Peninsula, important transformations in both the urban and rural contexts took place. In some cases, the phenomena could probably have their origin in dates before the formation of the Suevi and Visigoth kingdoms, but other changes seem to derive from processes set in motion by the creation of new states in the Iberian Peninsula. Archaeological research reveals important transformations in both urban and rural areas in this period. However, the urban and rural spaces have often been analyzed independently, without addressing the differences they experience in their evolution. In this study we seek to assess changes in both contexts, through close analysis of two cities with different urban evolutions, namely Asturica and Albocela. For each we will evaluate the varied impacts on their respective territories, especially in terms of the types of rural habitat and exploitation.

Botulinum neurotoxins (BoNTs) are exceptionally toxic proteins that cause paralysis but are also extensively used as treatment for various medical conditions. Most BoNTs bind two receptors on neuronal cells, namely, a ganglioside and a protein receptor. Differences in the sequence between the protein receptors from different species can impact the binding affinity and toxicity of the BoNTs. Here we have investigated how BoNT/B, /DC, and /G, all three toxins that utilize synaptotagmin I and II (Syt-I and Syt-II, respectively) as their protein receptors, bind to Syt-I and -II of mouse/rat, bovine, and human origin by isothermal titration calorimetry analysis. BoNT/G had the highest affinity for human Syt-I, and BoNT/DC had the highest affinity for bovine Syt-II. As expected, BoNT/B, /DC, and /G showed very low levels of binding to human Syt-II. Furthermore, we carried out saturation transfer difference (STD) and STD-TOCSY NMR experiments that revealed the region of the Syt peptide in direct contact with BoNT/G, which demonstrate that BoNT/G recognizes the Syt peptide in a model similar to that in the established BoNT/B-Syt-II complex. Our analyses also revealed that regions outside the Syt peptide’s toxin-binding region are important for the helicity of the peptide and, therefore, the binding affinity.

Entre el siglo IV y el VI, se observan importantes transformaciones tanto en el espacio urbano como en el rural en la península ibérica. En algunos aspectos, los fenómenos que se detectan tienen su origen en fechas anteriores a la formación de los reinos suevo y visigodo. Otros cambios parecen derivar de procesos puestos en marcha por la creación de nuevos estados en el espacio peninsular. La investigación arqueológica revela importantes transformaciones tanto en el ámbito urbano como en el rural en este periodo. Sin embargo, el espacio urbano y el rural se analizan con frecuencia de forma independiente, sin abordar las diferencias que a veces experimentan en su evolución. En este estudio se aborda el análisis de los cambios en dos ciudades que viven evoluciones urbanas diferentes, Asturica y Albocela, prestando especial atención a la evolución de los espacios de hábitat rural respectivos y confrontándolos con la evolución de los centros urbanos de los que dependen., From the fourth century until the sixth, coinciding with the last centuries of the Roman Empire and the consolidation of the Suevic and Visigothic Kingdoms in the Iberian Peninsula, important transformations in both the urban and rural contexts took place. In some cases, the phenomena could probably have their origin in dates before the formation of the Suevi and Visigoth kingdoms, but other changes seem to derive from processes set in motion by the creation of new states in the Iberian Peninsula. Archaeological research reveals important transformations in both urban and rural areas in this period. However, the urban and rural spaces have often been analyzed independently, without addressing the differences they experience in their evolution. In this study we seek to assess changes in both contexts, through close analysis of two cities with different urban evolutions, namely Asturica and Albocela. For each we will evaluate the varied impacts on their respective territories, especially in terms of the types of rural habitat and exploitation.

Botulinum neurotoxins (BoNTs) are exceptionally toxic proteins that cause paralysis but are also extensively used as treatment for various medical conditions. Most BoNTs bind two receptors on neuronal cells, namely, a ganglioside and a protein receptor. Differences in the sequence between the protein receptors from different species can impact the binding affinity and toxicity of the BoNTs. Here we have investigated how BoNT/B, /DC, and /G, all three toxins that utilize synaptotagmin I and II (Syt-I and Syt-II, respectively) as their protein receptors, bind to Syt-I and -II of mouse/rat, bovine, and human origin by isothermal titration calorimetry analysis. BoNT/G had the highest affinity for human Syt-I, and BoNT/DC had the highest affinity for bovine Syt-II. As expected, BoNT/B, /DC, and /G showed very low levels of binding to human Syt-II. Furthermore, we carried out saturation transfer difference (STD) and STD-TOCSY NMR experiments that revealed the region of the Syt peptide in direct contact with BoNT/G, which demonstrate that BoNT/G recognizes the Syt peptide in a model similar to that in the established BoNT/B-Syt-II complex. Our analyses also revealed that regions outside the Syt peptide’s toxin-binding region are important for the helicity of the peptide and, therefore, the binding affinity.

Entre el siglo IV y el VI, se observan importantes transformaciones tanto en el espacio urbano como en el rural en la península ibérica. En algunos aspectos, los fenómenos que se detectan tienen su origen en fechas anteriores a la formación de los reinos suevo y visigodo. Otros cambios parecen derivar de procesos puestos en marcha por la creación de nuevos estados en el espacio peninsular. La investigación arqueológica revela importantes transformaciones tanto en el ámbito urbano como en el rural en este periodo. Sin embargo, el espacio urbano y el rural se analizan con frecuencia de forma independiente, sin abordar las diferencias que a veces experimentan en su evolución. En este estudio se aborda el análisis de los cambios en dos ciudades que viven evoluciones urbanas diferentes, Asturica y Albocela, prestando especial atención a la evolución de los espacios de hábitat rural respectivos y confrontándolos con la evolución de los centros urbanos de los que dependen., From the fourth century until the sixth, coinciding with the last centuries of the Roman Empire and the consolidation of the Suevic and Visigothic Kingdoms in the Iberian Peninsula, important transformations in both the urban and rural contexts took place. In some cases, the phenomena could probably have their origin in dates before the formation of the Suevi and Visigoth kingdoms, but other changes seem to derive from processes set in motion by the creation of new states in the Iberian Peninsula. Archaeological research reveals important transformations in both urban and rural areas in this period. However, the urban and rural spaces have often been analyzed independently, without addressing the differences they experience in their evolution. In this study we seek to assess changes in both contexts, through close analysis of two cities with different urban evolutions, namely Asturica and Albocela. For each we will evaluate the varied impacts on their respective territories, especially in terms of the types of rural habitat and exploitation.

A lipopolysaccharide (LPS) molecule is a key component of the bacterial outer membrane used to protect the bacterium and to interact with the environment. To gain insight into its function, the study of the LPS conformation and dynamics at the molecular and cellular levels is necessary, but these highly diverse and dynamic membrane-LPS systems are difficult to study. In this work, by using NMR spectroscopy and molecular dynamics (MD) simulations, we determined the conformational preferences of an E. coli O176 O-antigen polysaccharide at the atomic level. Moreover, we analyzed the use of non-uniform sampling (NUS) for the acquisition of high dynamic range spectra, like H-1,H-1-NOESY NMR experiments. A comparison of the effective transglycosidic distances derived from conventional uniformly sampled and NUS H-1,H-1-NOESY data showed high similarity under equal measuring time conditions. Furthermore, the experimentally derived internuclear distances of the O-antigen polysaccharide with ten repeating units (RUs) showed very good agreement to those calculated from the MD simulations of the same O-antigen polysaccharide in solution. Analysis of the LPS bilayer simulations with five and with ten RUs revealed that, although similar with respect to populated states in solution, the O-antigen in LPS bilayers had more extended chains as a result of spatial limitations due to close packing. Additional MD simulations of O-antigen polysaccharides from E. coli O6 (branched repeating unit) and O91 (negatively charged linear repeating unit) in solution and LPS bilayers were performed and compared to those of O176 (linear polymer). For all three O-antigens, the ensemble of structures present for the polysaccharides in solution were consistent with the results from their H-1,H-1-NOESY experiments. In addition, the similarities between the O-antigen on its own and as a constituent of the full LPS in bilayer environment makes it possible to realistically describe the LPS conformation and

Entre el siglo IV y el VI, se observan importantes transformaciones tanto en el espacio urbano como en el rural en la península ibérica. En algunos aspectos, los fenómenos que se detectan tienen su origen en fechas anteriores a la formación de los reinos suevo y visigodo. Otros cambios parecen derivar de procesos puestos en marcha por la creación de nuevos estados en el espacio peninsular. La investigación arqueológica revela importantes transformaciones tanto en el ámbito urbano como en el rural en este periodo. Sin embargo, el espacio urbano y el rural se analizan con frecuencia de forma independiente, sin abordar las diferencias que a veces experimentan en su evolución. En este estudio se aborda el análisis de los cambios en dos ciudades que viven evoluciones urbanas diferentes, Asturica y Albocela, prestando especial atención a la evolución de los espacios de hábitat rural respectivos y confrontándolos con la evolución de los centros urbanos de los que dependen., From the fourth century until the sixth, coinciding with the last centuries of the Roman Empire and the consolidation of the Suevic and Visigothic Kingdoms in the Iberian Peninsula, important transformations in both the urban and rural contexts took place. In some cases, the phenomena could probably have their origin in dates before the formation of the Suevi and Visigoth kingdoms, but other changes seem to derive from processes set in motion by the creation of new states in the Iberian Peninsula. Archaeological research reveals important transformations in both urban and rural areas in this period. However, the urban and rural spaces have often been analyzed independently, without addressing the differences they experience in their evolution. In this study we seek to assess changes in both contexts, through close analysis of two cities with different urban evolutions, namely Asturica and Albocela. For each we will evaluate the varied impacts on their respective territories, especially in terms of the types of rural habitat and exploitation.

Entre el siglo IV y el VI, se observan importantes transformaciones tanto en el espacio urbano como en el rural en la península ibérica. En algunos aspectos, los fenómenos que se detectan tienen su origen en fechas anteriores a la formación de los reinos suevo y visigodo. Otros cambios parecen derivar de procesos puestos en marcha por la creación de nuevos estados en el espacio peninsular. La investigación arqueológica revela importantes transformaciones tanto en el ámbito urbano como en el rural en este periodo. Sin embargo, el espacio urbano y el rural se analizan con frecuencia de forma independiente, sin abordar las diferencias que a veces experimentan en su evolución. En este estudio se aborda el análisis de los cambios en dos ciudades que viven evoluciones urbanas diferentes, Asturica y Albocela, prestando especial atención a la evolución de los espacios de hábitat rural respectivos y confrontándolos con la evolución de los centros urbanos de los que dependen., From the fourth century until the sixth, coinciding with the last centuries of the Roman Empire and the consolidation of the Suevic and Visigothic Kingdoms in the Iberian Peninsula, important transformations in both the urban and rural contexts took place. In some cases, the phenomena could probably have their origin in dates before the formation of the Suevi and Visigoth kingdoms, but other changes seem to derive from processes set in motion by the creation of new states in the Iberian Peninsula. Archaeological research reveals important transformations in both urban and rural areas in this period. However, the urban and rural spaces have often been analyzed independently, without addressing the differences they experience in their evolution. In this study we seek to assess changes in both contexts, through close analysis of two cities with different urban evolutions, namely Asturica and Albocela. For each we will evaluate the varied impacts on their respective territories, especially in terms of the types of rural habitat and exploitation.

Botulinum neurotoxins (BoNTs) are exceptionally toxic proteins that cause paralysis but are also extensively used as treatment for various medical conditions. Most BoNTs bind two receptors on neuronal cells, namely, a ganglioside and a protein receptor. Differences in the sequence between the protein receptors from different species can impact the binding affinity and toxicity of the BoNTs. Here we have investigated how BoNT/B, /DC, and /G, all three toxins that utilize synaptotagmin I and II (Syt-I and Syt-II, respectively) as their protein receptors, bind to Syt-I and -II of mouse/rat, bovine, and human origin by isothermal titration calorimetry analysis. BoNT/G had the highest affinity for human Syt-I, and BoNT/DC had the highest affinity for bovine Syt-II. As expected, BoNT/B, /DC, and /G showed very low levels of binding to human Syt-II. Furthermore, we carried out saturation transfer difference (STD) and STD-TOCSY NMR experiments that revealed the region of the Syt peptide in direct contact with BoNT/G, which demonstrate that BoNT/G recognizes the Syt peptide in a model similar to that in the established BoNT/B-Syt-II complex. Our analyses also revealed that regions outside the Syt peptide’s toxin-binding region are important for the helicity of the peptide and, therefore, the binding affinity.

Botulinum neurotoxins (BoNTs) are exceptionally toxic proteins that cause paralysis but are also extensively used as treatment for various medical conditions. Most BoNTs bind two receptors on neuronal cells, namely, a ganglioside and a protein receptor. Differences in the sequence between the protein receptors from different species can impact the binding affinity and toxicity of the BoNTs. Here we have investigated how BoNT/B, /DC, and /G, all three toxins that utilize synaptotagmin I and II (Syt-I and Syt-II, respectively) as their protein receptors, bind to Syt-I and -II of mouse/rat, bovine, and human origin by isothermal titration calorimetry analysis. BoNT/G had the highest affinity for human Syt-I, and BoNT/DC had the highest affinity for bovine Syt-II. As expected, BoNT/B, /DC, and /G showed very low levels of binding to human Syt-II. Furthermore, we carried out saturation transfer difference (STD) and STD-TOCSY NMR experiments that revealed the region of the Syt peptide in direct contact with BoNT/G, which demonstrate that BoNT/G recognizes the Syt peptide in a model similar to that in the established BoNT/B-Syt-II complex. Our analyses also revealed that regions outside the Syt peptide’s toxin-binding region are important for the helicity of the peptide and, therefore, the binding affinity.

[EN] A detailed magnetic survey combined with the study of magnetic properties and spectral analysis in the Tusculum archaeological site (Alban Hills, Italy) indicates the existence of magnetic anomalies (total field and gradient, showing amplitudes up to thousands of nT) resulting from combined geological and archaeological features. In this paper we propose a two-fold analysis based on both manual and automatic procedures for a precise characterization of those elements from total magnetic field and magnetic gradient profiles. The first, automated step consists in spectral analysis of a long (1.2 km) profile to define the dominant wavelengths related to geological and/or archaeological features. The second, manual step consists of the definition of a hierarchical pattern of magnetic anomalies, according to their amplitude and pervasiveness, in the selected (90 × 90 m) area. The defined anomaly pattern includes 1st-order, total field, magnetic anomaly (1000 nT, decreasing towards the North) related to the geological (volcanic) background, 2nd order anomalies (tens to hundreds of nT), showing a marked periodicity, revealed by spectral analysis, in the magnetic gradient in the 1.2 km long profile, and, finally, superimposed 3rd order anomalies (on the order of several nT). Most second-order and some of the third order anomalies are normal dipoles arranged in an orthogonal pattern in plan view, and can be interpreted as linked to the main roman walls of public buildings or roads. The magnetic susceptibility of most materials used in Roman constructions (volcanic tuff and basalt, whose lithology was characterized by means of thin sections) ranges from 600 to 110,000 × 10 S.I., contrasting with the overall lower susceptibility of soil fillings between walls, what explains most of the anomalies found. Magnetite and other iron oxides and sulphides are the main ferromagnetic phases in construction materials. Koenigsberger ratios of roman construction materials vary between

A key problem in explaining the mountain landscapes of the Mediterranean region is the relationship between the development of transhumance (seasonal movement of livestock over long distances) and deforestation of the subalpine and upper montane belts at 1350–2200 m above sea level (m a.s.l.). We examined this relationship in the Central Southern Pyrenees using information from multiple proxies—archaeology, pollen analysis, lacustrine sedimentation patterns, historical documents, and geomorphology. Although there is evidence of forest clearing since the Neolithic, and we can infer the presence of shepherds and livestock in mountain areas based on archaeological sites and pollen analysis in some lacustrine records, there is no strong evidence for transhumance between the Ebro Depression and the Pyrenees during the Prehistory. Instead, we found evidence of transterminance (seasonal movement of livestock over short distances) during this time. Growth of human populations and the establishment of large-scale markets favored longer livestock movements during the Roman period, although we only have indirect information on this for other areas of the Iberian Peninsula and the Mediterranean region. A few documents indicate the occurrence of transhumance during the Early Middle Ages, whereas all other proxies indicate a general expansion of livestock and transhumance during the 12th and 13th centuries. This coincides with the Christian conquest of the Central Ebro Depression by the Aragon Kingdom, the organization of large wool markets in Western Europe, and the exemptions conferred by the kings of Aragon to herders in the city of Saragossa. This led to rapid deforestation, in that forests were rapidly logged or burned to expand the summer grasslands. During this period, written documents indicate many conflicts between people in the villages and valleys for control of summer grasslands, pollen analyses show a rapid decline of arboreal pollen, and geomorphology studies indic

Las contribuciones que se exponen definen las claves y exploran los procesos que, tanto a nivel general como particular de cada ejemplo, intervinieron en la construcción de los edificios históricos a lo largo de los siglos a partir de la recuperación, reciclaje y reutilización de materiales de época romana provenientes de otros edificios anteriores. Del mismo modo, se analizan las características arquitectónicas y urbanísticas de los edificios, la procedencia del material reutilizado, la tipología arquitectónica de los materiales expoliados o su contexto, entre otras particularidades. Los distintos casos analizados componen un elenco ampliamente significativo a nivel espacial y temporal, lo que permite perfilar de forma muy clara cuáles fueron estos procesos de spolia y reutilización de materiales romanos y su pervivencia a través del tiempo. Esta publicación, por tanto, ofrece una amplia base y marco de trabajo para los estudios futuros sobre todos estos aspectos.

[EN] In 2012, the launched an archaeological project dedicated to explore the medieval site of Tusculum. The effort made over the past four years to experiment in Tusculum –in particular in the area of the medieval fortress– using a highly multidisciplinary approach and pursuing an integrated interpretation of data by specialists with different backgrounds, has enable for the first time the formulation of an historical framework that is not limited to the reconstruction of a single monument, but aims, instead, to read it within a larger framework of reference: notably the reconstruction of the medieval town planning (arx and civitas), Tusculum’s relationship with its landscape, and the daily life of its inhabitants. This paper presents the results from the 2015 season of excavation., [ES] En 2012, la Escuela Española de Historia y Arqueología en Roma (CSIC) inició un proyecto de investigación arqueológica centrado en el estudio de la fase medieval de Tusculum y, en particular de su acrópolis. El estudio ha tenido un marcado carácter multidisciplinar y ha contado con la participación de numerosos especialistas en un intento de integrar diferentes tipos de información que ha permitido por primera vez proponer un marco histórico en el que se integran aspectos diferentes como el urbanismo medieval, la relación de la ciudad con el medio ambiente, así como la vida cotidiana de sus habitantes. En este trabajo se presentan los resultados de la campaña 2015.

Recópolis es la única fundación visigoda conocida arqueológicamente en la península ibérica. Creada durante el reinado del rey Leovigildo en el año 576, la ciudad jugó un papel crucial en el paisaje y se mantuvo como el punto focal del territorio hasta el siglo VIII. En este artículo presentamos los resultados más recientes del proyecto realizado en torno a Recópolis, en el que el paisaje se ha explorado como una construcción social, lo que permite una comprensión más completa del agrosistema. De hecho, considerando los datos paleo-biológicos y ambientales, junto con los arqueológicos, ha sido posible analizar la evolución de este complejo territorio de la Meseta Central de la península ibérica en la Alta Edad Media., Reccopolis is the only archaeologically-attested Visigothic city in the Iberian Peninsula. Founded under King Leovigild in A.D. 576, the city played a notable role in the landscape, persisting as the focal point in the territory until the 8th century AD. This paper offers an overview of the most recent results from the project undertaken around Reccopolis, whose landscape has been explored as a social construction, which enables a fuller understanding of the agrosystem. Indeed, considering the paleo-biological and environmental data, together with the archaeological ones, it has been possible to analyze the evolution across the Early Middle Ages of this complex territory in the Central Plateau of the Iberian Peninsula.

Recópolis es la única fundación visigoda conocida arqueológicamente en la península ibérica. Creada durante el reinado del rey Leovigildo en el año 576, la ciudad jugó un papel crucial en el paisaje y se mantuvo como el punto focal del territorio hasta el siglo VIII. En este artículo presentamos los resultados más recientes del proyecto realizado en torno a Recópolis, en el que el paisaje se ha explorado como una construcción social, lo que permite una comprensión más completa del agrosistema. De hecho, considerando los datos paleo-biológicos y ambientales, junto con los arqueológicos, ha sido posible analizar la evolución de este complejo territorio de la Meseta Central de la península ibérica en la Alta Edad Media., Reccopolis is the only archaeologically-attested Visigothic city in the Iberian Peninsula. Founded under King Leovigild in A.D. 576, the city played a notable role in the landscape, persisting as the focal point in the territory until the 8th century AD. This paper offers an overview of the most recent results from the project undertaken around Reccopolis, whose landscape has been explored as a social construction, which enables a fuller understanding of the agrosystem. Indeed, considering the paleo-biological and environmental data, together with the archaeological ones, it has been possible to analyze the evolution across the Early Middle Ages of this complex territory in the Central Plateau of the Iberian Peninsula.

[EN] Since 1994, the Escuela Española de Historia y Arqueología en Roma-CSIC (Spanish National Research Council) has directed the “Tusculum” Research Project, focused on the rediscovery and exploration of this important ancient and medieval settlement located less than 30 km south-east of Rome. In 2012, EEHAR launched a multidisciplinary archaeological project, which engaged non-invasive survey techniques to study many unexplored subsurface areas of the site. These have enabled discovery close to the forum area of a large built complex, which saw excavation in 2015, revealing it as a baths building, of which we can so far identify a latrine, a pool (probably within the frigidarium) and the pilae of the suspensura from a hypocaust, perhaps relating to the tepidarium. While some issues of form and function persist (e.g. we remain uncertain of the location of the praefurnium), the evidence overall adds to our understanding of the Roman urban form by pointing to a likely set of mid-Imperial public baths (first half of the 2nd century AD)., [IT] L’Escuela Española de Historia y Arqueología en Roma-CSIC (corrispettivo spagnolo del CNR italiano) dirige dal 1994 un progetto di ricerca archeologica nell’area dell’antico insediamento oggi abbandonato di Tusculum, situato una trentina di km a sud-est di Roma, nella regione dei Colli Albani. Nel 2012 la EEHAR ha inaugurato una nuova fase di ricerca multidisciplinare, aprendo alla sperimentazione sul campo di tecnologie di indagine non invasive per indagare aree della città in precedenza rimaste inesplorate. È stato così possibile individuare, lungo il pianoro che si sviluppa a ovest del foro, i resti di un edificio di grandi dimensioni. Lo scavo, avviato nel 2015 e tuttora in corso, ha riportato alla luce i resti di un complesso termale databile alla prima metà del II sec. d.C. Nonostante restino ancora da definire la planimetria complessiva dell’edificio e la specifica funzione di alcuni ambienti, sono già stati recuperati una latrina, una vasca (probabilmente il frigidarium) e le pilae della suspensura dell’hypocaustum, probabilmente riferibile al tepidarium.

A paper on new discoveries and reseach in 5th-8th-century settlement studies in Spain

Questo articolo analizza la struttura urbanistica medievale di Tusculum (X-XII secolo), indagata tramite l’uso combinato di fotografie aeree (con drone e aquilone), analisi topografiche, ricerche geofisiche e campagne di scavo. Questi dati sono il risultato del progetto “Tusculum”, dedicato allo studio delle fasi post-classiche di questo insediamento situato circa 30 km a sud-est di Roma.

[EN] Since 1994 the Escuela Española de Historia y Arqueología en Roma (EEHAR-CSIC) runs an archaeological research project focused on the city of Tusculum. In 2012, a new venture, «Tusculum en época medieval: territorio, paisaje, economía y sociedad «has started with a clear willingness to provide a new direction to explore and incorporate new research trends and different methodological approaches, focusing on the more unknown phases of the city: the Late Antiquity and the Middle Ages. Two years later, in full maturity of the project, the multidisciplinary approach includes archeological excavations, geophysical surveys, archeobiological studies, topographical analyses and drone and kite aerial photography as well as the study of archaeological material and textual information. Data will provide simultaneously an overview of urban and rural context which will help to reconstruct the landscape and the economic structure of the ancient and medieval city and its territory., [ES] Desde 1994, la Escuela Española de Historia y Arqueología en Roma (EEHAR-CSIC) coordina un proyecto de investigación arqueológica en la antigua ciudad de Tusculum. En 2012 se inició un nuevo proyecto, «Tusculum en época medieval: territorio, paisaje, economía y sociedad» con la clara voluntad de dotar a la propuesta de una nueva orientación metodológica centrada en las fases históricas menos conocidas de la ciudad: la Antigüedad tardía y el Medioevo.Dos años después, en plena madurez del proyecto, el enfoque multidisciplinario incluye excavaciones arqueológicas, estudios geofísicos, estudios arqueobiológicos, análisis topográficos y por medio de fotografía aérea con dron y cometa, así como el estudio de los materiales arqueológicos y la información textual. El análisis de todos estos datos ofrecerá simultáneamente una visión general del entorno urbano y rural que permitirá reconstruir el paisaje y la estructura económica de la ciudad antigua y medieval y su territorio.

El siguiente artículo presenta una nueva hipótesis sobre la localización del anfiteatro de Caesaraugusta. Si bien en las últimas décadas se ha venido apoyando la teoría de la ubicación del anfiteatro en un lugar concreto de la ciudad, donde hoy se encuentra el Hotel Palafox y el antiguo Teatro Fleta, la documentación arqueológica disponible hasta el momento no revelaba con seguridad vestigios de dicha estructura arquitectónica. En este contexto surge el proyecto que se presenta a continuación, una investigación realizada por grupo interdisciplinario que combina el estudio de la información histórica del archivo municipal, el análisis arqueológico y geoespacial, y los datos geofísicos. La revisión de la información y, en concreto, el plano realizado por C. Casanova en 1769, quien representa una zona de la ciudad que normalmente no aparecía cartografiada, parece indicar una ubicación distinta para el edificio. Así, se propone una nueva hipótesis sobre la ubicación del anfiteatro, que no pretende ser más que una nueva opción en el debate científico sobre la caracterización del núcleo urbano de Caesaraugusta.

[EN] Geophysical surveys allow the indirect study of the natural changes of the physical properties of the subsurface materials analyzed from the surface. In the case of archaeological sites, geophysical prospecting is based on the presence of contrasts between natural and construction material or unnatural rests located in the underground. This paper deals with an analysis of the variables to be taken into account during the previous dimensioning of a geophysical study illustrated with examples of two archaeological sites in Tarazona (Spain). The results help to determine the sizing of the variables of prospecting, potential geophysical logging signature on the elements analyzed, applying of various prospecting techniques, their analysis, and integrated analysis of the results, limits and external influences depending of the characteristics and conditions of the analyzed sites., [ES] La prospección geofísica consiste en el estudio indirecto de los cambios naturales de las propiedades físicas de los materiales del subsuelo analizadas desde la superficie. En el caso de yacimientos arqueológicos, la prospección geofísica se fundamenta en la presencia de contrastes entre los materiales naturales y los constructivos o con los restos de origen no natural localizados en el subsuelo. En este trabajo se aborda un análisis de las variables que deben ser tenidas en cuenta durante el dimensionamiento previo de una prospección geofísica, ilustrado con ejemplos del estudio de dos yacimientos arqueológicos en Tarazona (España). Los resultados obtenidos permiten determinar las variables de dimensionamiento de la prospección, la potencial impronta en el registro geofísico de los elementos analizados, las ventajas de la aplicación de varias técnicas de prospección, su análisis conjunto, y el análisis integrado de los resultados, límites e influencias externas dependiendo de las características y condiciones de los yacimientos analizados.

[EN] Following the excavations of Prof. Pere Palol conducted in the early seventies in the Cristode la Vega de Toledo, highlighted the existence of a late antique necropolis and a building in the area,which was associated with the location of the basilica of Santa Leocadia. The existence of this basilica andits constructive process are fundamental aspects of this study to examine one of the milestones of earlyChristianity in the city and its relationship with the Vega Baja of Toledo., [ES] A raíz de las excavaciones que el prof. Pere de Palol llevó a cabo en el Cristo de la Vega de Toledo a inicios de los años setenta del pasado siglo, se identificaron una necrópolis tardía y la traza de un edificio que, por su ubicación, se ha puesto en relación con el complejo de Santa Leocadia descrito por las fuentes escritas. La existencia o no de esta basílica en el lugar señalado y el proceso constructivo de la misma son aspectos fundamentales de este estudio para avanzar en el conocimiento arqueológico del cristianismo en la ciudad y su presencia en la Vega Baja de Toledo.

The creation of a homogeneous and normalized database with a 3D viewer is the ultimate aim of a project that was created to meet the needs of the archaeological, academic and scientific community, but also of the less specialized public. Benefiting from computer innovation and virtual reality, with increasingly “real” and intuitive interfaces, only improves the accessibility and comprehension of archaeological studies. Thus, interactive databases, used scientifically and for the dissemination of culture and information, will promote the importance of sites. VisArq. 1.0 offers precisely this, a visualization of archaeological information of the province of Zaragoza (Spain) and a protocol of action which, in its first version, attempts to offer a modus operandi, in which the standardization, unification, and display of data is the ultimate aim.

[EN] Although in recent decades has increased the knowledge of the Late Antiquity period and the urban transformations in it lived, there are many urban centers of which is unknown how it was developed the process that led to the dissolution of the classical city and the formation of the medieval city. One of these cases, without doubt, is Turiaso (Tarazona). Fortunately, recent archaeological work and detailed analysis of the excavations that have taken place in the city, have allowed us to rethink some issues of this process and, above all, knowing how it was created the first Episcopal Church, which is fundamental in the formation of Late Antiquity topography., [ES] Pese a que en las últimas décadas ha aumentado el conocimiento del periodo tardoantiguo y las transformaciones urbanas que en él se vivieron, todavía quedan muchos centros urbanos de los cuales desconocemos cómo se desarrolló el proceso que llevó a la disolución de la ciudad clásica y la formación de la medieval. Uno de esos casos, sin duda, es Turiaso (Tarazona). Por fortuna, las últimas intervenciones arqueológicas y el análisis detallado de las excavaciones que se han llevado a cabo en la ciudad nos han permitido replantear algunas cuestiones de este proceso y, sobre todo, conocer cómo se gestó el primer núcleo episcopal turiasonense, capital en la formación de la topografía tardoantigua.

This contribution aims to analyze comparatively two population realities at different levels to point up their corresponding behaviors: the rural settlements near the city of Osset and those belonging to the Southern countryside of the Guadalquivir river. Starting from this confrontation shall be established differences and similarities between land occupation models in order to link them with historical processes known archaeologically. The documented archaeological sites are conceptulized as dissipating energy gradients units in constant imbalance, due to both energetic input and output are determined by the tendency to entropy according to the second law of thermodynamics. This in turn allows to consider the settlements of the past within a framework of relationships on which acted intergroup selective pressures. The selectionist approach used in this chapter helps us to understand the configuration of Late Antiquity's landscape, as well as its dynamics of change along the centuries of this historical period. As we will see, this model can also be applied to other regions of the Western Baetica. Based on the above information, this chapter is a study about the human settlement of such area from a darwinian and thermodynamic point of view.

The outer leaflet of the outer membrane in Gram-negative bacteria contains lipopolysaccharides (LPS) as a major component, and the outer membrane provides a physical barrier and protection against hostile environments. The enterohemorrhagic Escherichia coli of serogroup O91 has an O-antigen polysaccharide (PS) with five sugar residues in the repeating unit (RU), and the herein studied O-antigen PS contains similar to 10 RUs. H-1-C-13 HSQC-NOESY experiments on a 1-C-13-labeled PS were employed to deduce H-1-H-1 cross-relaxation rates and transglycosidic (3)J(CH) related to the psi torsional angles were obtained by H-1-H-1 NOESY experiments. Dynamical parameters were calculated from the molecular dynamics (MD) simulations of the PS in solution and compared to those from C-13 nuclear magnetic resonance (NMR) relaxation studies. Importantly, the MD simulations can reproduce the dynamical behavior of internal correlation times along the PS chain. Two-dimensional free energy surfaces of glycosidic torsion angles delineate the conformational space available to the O-antigen. Although similar with respect to populated states in solution, the O-antigen in LPS bilayers has more extended chains as a result of spatial limitations due to close packing. Calcium ions are highly abundant in the phosphate-containing core region mediating LPS LPS association that is crucial for maintaining bilayer integrity, and the negatively charged O-antigen promotes a high concentration of counterbalancing potassium ions. The ensemble of structures present for the PS in solution is captured by the NMR experiments, and the similarities between the O-antigen on its own and as a constituent of the full LPS in a bilayer environment make it possible to realistically describe the LPS conformation and dynamics from the MD simulations.