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   Guler, Abdullah ; Jha, Niraj K. ( October 2018 , IEEE Transactions on Very Large Scale Integration (VLSI) Systems)
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   MA'ATanalysis has been applied to two biologically‐importantO‐glycosidic linkages in two disaccharides, α‐D‐Galp‐(1→3)‐β‐D‐GalpOMe (3) and β‐D‐Galp‐(1→3)‐β‐D‐GalpOMe (4). Using density functional theory (DFT) to obtain parameterized equations relating a group of trans‐O‐glycosidic NMR spin‐couplings to eitherphi(ϕ') orpsi(ψ'), and experimental³J_COCH,²J_COC, and³J_COCCspin‐couplings measured in aqueous solution in¹³C‐labeled isotopomers, probability distributions ofϕ'andψ'in each linkage were determined and compared to those determined by aqueous 1‐μs molecular dynamics (MD) simulation. Good agreement was found between theMA'ATand single‐state MD conformational models of these linkages for the most part, with modest (approximately <15°) differences in the mean values ofϕ'andψ', although the envelope of allowed angles (encoded in circular standard deviations or CSDs) is consistently larger forϕ'determined fromMA'ATanalysis than from MD for both linkages. TheMA'ATmodel of the α‐Galp‐(1→3)‐β‐Galplinkage agrees well with those determined previously using conventional NMR methods (³J_COCHvalues and/or¹H‐¹H NOEs), but some discrepancy was observed for the β‐Galp‐(1→3)‐β‐Galplinkage, which may arise from errors in the conventions used to describe the linkage torsion angles. Statistical analyses of X‐ray crystal structures show ranges ofϕ'andψ'for both linkages that include the mean angles determined fromMA'ATanalyses, although both angles adopt a wide range of values in the crystalline state, withϕ'in β‐Galp‐(1→3)‐β‐Galplinkages showing greater‐than‐expected conformational variability.

    

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   3-D printing is a disruptive technology that can have enormous social and economic impacts in years to come. The technology, which took shape in the 1980's and was initially limited to manufacturing small products, is moving to large scale construction applications, utilizing concrete and other cementitious and binder materials. This paper presents a state-of-the-art and state-of-the-practice of 3-D printing of concrete including a historical background and advances in equipment, materials, and computer modeling. Some demonstration projects are presented and opportunities and challenges associated with 3-D printing of concrete are identified. Formulation of ink utilizing local and in-situ materials is a major challenge and will continue to develop. Developments will also continue on large scale construction 3-D printers. The paper should be of value to both the seasoned researchers and beginners in 3-D printing, and also to those working on transitioning 3-D printing in construction from research to practice. 

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