scholarly journals A 1000-year-old mystery solved: Unlocking the molecular structure for the medieval blue from Chrozophora tinctoria, also known as folium

2020 ◽  
Vol 6 (16) ◽  
pp. eaaz7772 ◽  
Author(s):  
P. Nabais ◽  
J. Oliveira ◽  
F. Pina ◽  
N. Teixeira ◽  
V. de Freitas ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Experimental Data ◽  
Cultural Heritage ◽  
Computational Modeling ◽  
21St Century ◽  
Interdisciplinary Approach ◽  
Computational Studies ◽  
Analytical Characterization ◽  
Medieval Manuscript

The molecular structure of the medieval watercolor known as folium has finally been solved in the 21st century. The interdisciplinary approach taken was the key to producing extracts that had been prepared following medieval instructions, and shows the blue/purple chromophore as the major dye in Chrozophora tinctoria fruits (shell). A multi-analytical characterization of its structure was made using HPLC-DAD-MS, GC-MS, NMR (1H, 13C, COSY, HSQC, HMBC, INADEQUATE), and computational studies. The results demonstrate that the blue compound corresponds to 6′-hydroxy-4,4′-dimethoxy-1,1′-dimethyl-5′-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-[3,3′-bipyridine]-2,2′,5,6(1H,1′H)-tetraone, a hermidin derivative, which we named chrozophoridin. Experimental data and computational modeling studies show that this mono-glycosylated dimer is represented by two stable isomers (atropisomers). This is an indispensable piece of knowledge for the characterization of this medieval dye in works of art such as medieval manuscript illuminations and for testing its stability and contributes to the preservation of our cultural heritage.

scholarly journals High-resolution insights into the early stages of silver nucleation and growth

2015 ◽  
Vol 179 ◽  
pp. 59-77 ◽  
Author(s):  
Cornelia M. Völkle ◽  
Denis Gebauer ◽  
Helmut Cölfen
Keyword(s):  
Experimental Data ◽  
Silver Nanoparticles ◽  
Early Growth ◽  
Nucleation And Growth ◽  
Silver Clusters ◽  
Computational Tools ◽  
Analytical Characterization ◽  
Titration Assay ◽  
First Time

Nucleation and growth of silver nanoparticles has already been investigated with various experimental and computational tools. However, owing to inherent problems associated with the analytical characterization of nucleation processes, there is a general lack of experimental data regarding the earliest precursors and smallest Ag(0) clusters. Here, we address this problem by the application of Synthetic Boundary Crystallization Ultracentrifugation, utilizing a multiwavelength detector for the first time, complemented by a specialized titration assay. These techniques shed new light on silver nanoparticle precursors existing in the pre-nucleation regime, and the initially nucleated ensemble of nanoclusters. For the first time, we present experimental data of UV-Vis spectra for fractionated silver clusters. These allow for unsurpassed insights into the sequence of nucleation and early growth species as well as their optical properties.

scholarly journals Book Review. Cultural Heritage in a Changing World

2017 ◽  
Vol 28 (3) ◽  
pp. 358
Author(s):  
Ashika Prajnya Paramita
Keyword(s):  
Cultural Heritage ◽  
21St Century ◽  
Digital Technologies ◽  
Interdisciplinary Approach ◽  
Comprehensive View ◽  
The Relationship ◽  
Changing World

Edited by Karol Jan Borowiecki, Neil Forbes, and Antonella Fresa, this collection of essays was developed within the RICHES Project to address the issues surrounding cultural heritage in the era of digital technologies. The 21st century has witnessed rapid developments in digital technologies that have led to major changes in all aspects of society. This book aims to reflect the relationship between cultural heritage and these changes. Written by experts from various background, this book implements an interdisciplinary approach its observations, and provides a comprehensive view of the changes that occur in the society. In various perspectives, the collection show how cultural heritage, mainly in Europe, should be preserved through digital availability and accessibility.

scholarly journals Synthesis, molecular structure, spectroscopic and computational studies on 4-(2-(2-(2-formylphenoxy)ethoxy)ethoxy)phthalonitrile as Functionalized Phthalonitrile

2019 ◽  
Vol 38 (1) ◽  
pp. 63 ◽  
Author(s):  
Pinar Sen ◽  
Salih Zeki Yıldız ◽  
Vildan Enisoglu Atalay ◽  
Sibel Demir Kanmazalp ◽  
Necmi Dege
Keyword(s):  
Molecular Structure ◽  
Functional Group ◽  
Spectroscopic Properties ◽  
Comparative Approach ◽  
Computational Studies ◽  
Crystal Data ◽  
X Ray ◽  
Elemental Analyses ◽  
Ft Ir

This work presents the synthesis and characterization of a novel compound, 4-(2-(2-(2-formylphenoxy)ethoxy)ethoxy)phthalonitrile as the aldehyde functional group substituted phthalonitrile derivative. The spectroscopic properties of the compound were examined by FT-IR, 1H-NMR, 13C-NMR, UV-vis, MS, elemental analyses. The molecular structure of the compound was also confirmed using X-ray single-crystal data with a theorical comparative approach.

ANTHROPONYMIC CORE OF THE INTEGRATED NATIONAL CULTURAL SPACE (IN TERMS OF ANALYSIS OF THE SMOLENSK MATERIAL)

2020 ◽  
pp. 256-262
Author(s):  
N.V. Bubnova
Keyword(s):  
Experimental Data ◽  
21St Century ◽  
Major Part ◽  
Proper Names ◽  
Regional Level ◽  
Cultural Space ◽  
Cultural Information ◽  
The Creation

The article suggests an approach to revelation anthroponymic markers of the integrated national cultural space, the creation and the preservation of which acquired especial significance in the 21st century due to the rapid globalization. Obviously, that proper names, which carry multifaceted historic and cultural information concerning people's life, constitute the major part of Russian cultural basis. Thus, the question arises, how to find these proper names in such a vocabulary diversity. Correspondingly, the exploration of proper names and theirs value on regional level using objective experimental data, can be considered as a “filtr” for the detection of such proper names. The experience of conducting such explorations of Smolensk's onomastic material is described in this article.

Fluoroquinolone-3-carboxamide Amino Acid Conjugates: Synthesis, Antibacterial Properties And Molecular Modeling Studies

2020 ◽  
Vol 17 (1) ◽  
pp. 71-84
Author(s):  
Riham M. Bokhtia ◽  
Siva S. Panda ◽  
Adel S. Girgis ◽  
Hitesh H. Honkanadavar ◽  
Tarek S. Ibrahim ◽  
...  
Keyword(s):  
Experimental Data ◽  
Antibacterial Activity ◽  
Amino Acid ◽  
Bacterial Infections ◽  
Antibacterial Agents ◽  
Antibacterial Properties ◽  
Computational Studies ◽  
Protecting Group ◽  
Amino Acid Conjugates ◽  
Molecular Modeling Studies

Background: Bacterial infections are considered as one of the major global health threats, so it is very essential to design and develop new antibacterial agents to overcome the drawbacks of existing antibacterial agents. Method: The aim of this work is to synthesize a series of new fluoroquinolone-3-carboxamide amino acid conjugates by molecular hybridization. We utilized benzotriazole chemistry to synthesize the desired hybrid conjugates. Result: All the conjugates were synthesized in good yields, characterized, evaluated for their antibacterial activity. The compounds were screened for their antibacterial activity using methods adapted from the Clinical and Laboratory Standards Institute. Synthesized conjugates were tested for activity against medically relevant pathogens; Escherichia coli (ATCC 25922), Pseudomonas aeruginosa (ATCC 27856) Staphylococcus aureus (ATCC 25923) and Enterococcus faecalis (ATCC 19433). Conclusion: The observed antibacterial experimental data indicates the selectivity of our synthesized conjugates against E.Coli. The protecting group on amino acids decreases the antibacterial activity. The synthesized conjugates are non-toxic to the normal cell lines. The experimental data were supported by computational studies.

Experimental and Analytical Characterization of Firebrand Ignition of Home Insulation Materials

2019 ◽  
Vol 55 (3) ◽  
pp. 1027-1056 ◽  
Author(s):  
Savannah S. Wessies ◽  
Michael K. Chang ◽  
Kevin C. Marr ◽  
Ofodike A. Ezekoye
Keyword(s):  
Analytical Characterization ◽  
Insulation Materials

scholarly journals Structural Characterization of Heterodinuclear ZnII-LnIII Complexes (Ln = Pr, Nd) with a Ring-Contracted H2valdien-Derived Schiff Base Ligand

2021 ◽  
Author(s):  
Shabana Noor ◽  
Richard Goddard ◽  
Fehmeeda Khatoon ◽  
Sarvendra Kumar ◽  
Rüdiger W. Seidel
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Structural Characterization ◽  
Schiff Base Ligand ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Imidazoline Ring

AbstractSynthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes with the formula [ZnLn(HL)(µ-OAc)(NO3)2(H2O)x(MeOH)1-x]NO3 · n H2O · n MeOH [Ln = Pr (1), Nd (2)] and the crystal and molecular structure of [ZnNd(HL)(µ-OAc)(NO3)2(H2O)] [ZnNd(HL)(OAc)(NO3)2(H2O)](NO3)2 · n H2O · n MeOH (3) are reported. The asymmetrical compartmental ligand (E)-2-(1-(2-((2-hydroxy-3-methoxybenzylidene)amino)-ethyl)imidazolidin-2-yl)-6-methoxyphenol (H2L) is formed from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation, resulting in a peripheral imidazoline ring. The structures of 1–3 were revealed by X-ray crystallography. The smaller ZnII ion occupies the inner N2O2 compartment of the ligand, whereas the larger and more oxophilic LnIII ions are found in the outer O2O2’ site. Graphic Abstract Synthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes (Ln = Pr, Nd) bearing an asymmetrical compartmental ligand formed in situ from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation are reported.

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