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"Design 2016"
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Manal AlDowayan, Hassan Sharif : discovering Arab artists
The ninth and tenth volumes of 'The Art Library', a pioneering art volumes series that documents the most important modern and contemporary Arab artists. These volumes offer an informal, yet detailed introduction to the most prominent figures of Arab art. The collection is characterized by medium-size books, each one dedicated to a single artist, richly illustrated, and rigorously documented. The publications, presented in English and Arabic editions, are launched seasonally, in spring and fall, two by two, in a sophisticated cardboard slipcase. Each slipcase presents a Saudi artist alongside a non-Saudi artist.
BOOK
Un/folded : paper in design, art, architecture and industry
InUnfolded-Paper in Design, Art, Architecture and Industry paper conquers the third dimension and demonstrates the undreamed-of possibilities it holds today for lightweight construction, product design, fashion and art. From \"Paper\", the collection of bags by Stefan Diez, to Konstantin Grcic's paper models and the scented paper garments of Issey Miyake, this book presents paper as ahigh-quality contemporaryand ecologicalmaterial.Anenormous selection of projects, the lavish design and numerous illustrations provide designers with invaluable inspiration for their work. The content core of the bookis a comprehensive list of state-of-the-art paper productsand innovative paper technologies,supporting designers in their everyday work with detailedinformation on the \"high-tech\" material paper. From Japanese washi paper and paper foam, to ceramic paper and carbon fiber paper, Unfolded presents the latestin research and development, as well as the most important methods and technologies in handcrafts and industry.
eBook
SEI-forming electrolyte additives for lithium-ion batteries: development and benchmarking of computational approaches
SEI-forming additives play an important role in lithium-ion batteries, and the key to improving battery functionality is to determine if, how, and when these additives are reduced. Here, we tested a number of computational approaches and methods to determine the best way to predict and describe the properties of the additives. A wide selection of factors were evaluated, including the influences of the solvent and lithium cation as well as the DFT functional and basis set used. An optimized computational methodology was employed to assess the usefulness of different descriptors.
Journal Article
Calculations of BODIPY dyes in the ground and excited states using the M06-2X and PBE0 functionals
A number of fluorescent dyes based on BODIPY (4,4′-difluoro-4-bora-3a,4a-diaza-
s
-indacene) have been studied theoretically. This paper presents the results of calculations of these BODIPY dyes in their ground and excited states, performed using DFT and TD-DFT methods, respectively. The influences of
N
,
N
-dimethylaminobenzyl,
ortho
-fluorophenol, and methyl substituents as well as the solvent polarity on the positions of the absorption and emission bands of the dyes were analyzed. The computational data obtained in this work were compared to the corresponding experimental data. The trends in the experimental data were found to agree with those shown by the computational data. Differences between the potential curves obtained when using linear-response (LR) and state-specific (SS) approaches for the ground and excited states are also reported.
Graphical Abstract
The article shows that the trends of the experimental dependencies λ
abs
= f(Δf) and λ
em
= f(Δf) well described by PBE0 (LR approach) and M06-2X (SS approach) calculations, respectively. The influence of substituents on the spectral characteristics of the BODIPY chromophore are analysed
Journal Article
The jazz age : American style in the 1920s
An exhilarating look at Art Deco design in 1920s America, using jazz as its unifying metaphor. Capturing the dynamic pulse of the era's jazz music, this lavishly illustrated publication explores American taste and style during the golden age of the 1920s. Following the destructive years of the First World War, this flourishing decade marked a rebirth of aesthetic innovation that was cultivated to a great extent by American talent and patronage. Due to an influx of European emigres to the United States, as well as American enthusiasm for traveling to Europe's cultural capitals, a reciprocal wave of experimental attitudes began traveling back and forth across the Atlantic, forming a creative vocabulary that mirrored the ecstatic spirit of the times. \"\" showcases developments in design, art, architecture, and technology during the '20s and early '30s, and places new emphasis on the United States as a vital part of the emerging marketplace for Art Deco luxury goods. Featuring hundreds of full-color illustrations and essays by two leading historians of decorative arts, this comprehensive catalogue shows how America and the rest of the world worked to establish a new visual representation of modernity.
Book
In silico screening of dicarboxylic acids for cocrystallization with phenylpiperazine derivatives based on both cocrystallization propensity and solubility advantage
In silico screening was performed to search for binary solids in which a phenylpiperazine-derivative drug was cocrystallized with a dicarboxylic acid. The phenylpiperazine derivative could be any of 61 such drugs, while the dicarboxylic acid could be any of nine such acids. The uniqueness of this approach was that two criteria had to be fulfilled simultaneously, namely a high propensity for cocrystallization and a sufficient solubility advantage. Using the mixing enthalpies of selected pairs of crystal formers with high affinities for one another permitted the classification of candidates with a high probability of cocrystallization. Further modeling of the solubility advantage allowed the identification of many binary solids that potentially exhibit significantly enhanced solubility in water. Based on the computed values for the mixing enthalpies and solubility advantage factors, it was concluded that dicarboxylic acids are both excellent coformers for cocrystallization with phenylpiperazines and very good solubility enhancers; indeed, the use of dicarboxylic acids as coformers would allow the degree of dissolution to be tuned for many of the studied drugs. The observed similarities of the cocrystallization landscapes of the studied drugs and excipients were also explored.
Journal Article
Modeling of low temperature adsorption of hydrogen in carbon nanopores
We simulated the low temperature (T = 77 K) hydrogen adsorption in carbon slit-shaped nanopores using consecutively united atom (UA) and all atom (AA) representation of hydrogen molecule. We showed that both approximations give comparable estimation of the amount stored, for the wide range of pore width (0.6–2.5 nm). We also showed that at very high pressure (P = 400 bar, corresponding to the fugacity f used in grand canonical Monte Carlo simulations of f = 800 bar) the density of the adsorbed hydrogen structures is larger than the density of bulk liquid at critical temperature (∼76 kg/m
3
). This result agrees with the experimental observation of the density of the order of 100 kg/m
3
for the hydrogen adsorbed in microporous carbons, reported recently in the literature.
Journal Article
Modeling of adsorption of CO2 in the deformed pores of MIL-53(Al)
Molecular simulations were performed to predict CO
2
adsorption in flexible metal-organic frameworks (MOFs). A generic force field was fitted to our experimental data to describe the non-bonded (electrostatic and van der Waals) interactions between CO
2
molecules and the large pore (lp) and narrow pore (np) forms of the MIL-53(Al) framework. With the new validated force field, it is possible to predict CO
2
uptake and enthalpy of adsorption at various applied external pressures that will modify the structure’s pore configuration and allow us to have more control over the adsorption/desorption process. A sensitivity analysis of MOF adsorption properties to the variation of the force field parameters was also intensively studied. It was shown that relatively small variations of the adsorbate gas model can improve the quality of the numerical predictions of the experimental data. However, the variations must be kept small enough to not modify the properties of the gas itself.
Journal Article