Self-Assembled Peptide Architecture with a Tooth Shape: Folding into Shape

Kwon, Sunbum; Shin, Hye Sun; Gong, Jintaek; Eom, Jae‐Hoon; Jeon, Aram; Yoo, Sung Hyun; Chung, Il-Moon; Cho, Sung June; Lee, Hee-Seung

doi:10.1021/ja2082476

Cited by 70 publications

(76 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…2b. TGA results showed peptide 1 has a lower thermal stability (of about 20 C) than the analogous ACPC b-peptide hexamer [7], presumably because the thermal stability of Aib is less than that of ACPC. No significant difference between peptide 1 powder and foldecture PP was observed in the FTIR and TGA profiles.…”

Section: Resultsmentioning

confidence: 95%

Parallelogram plate shaped foldecture from the controlled self-assembly of α/β-peptide foldamer

Eom

Gong

Jeong

et al. 2015

Solid State Sciences

Self Cite

View full text Add to dashboard Cite

Section: Resultsmentioning

confidence: 95%

Parallelogram plate shaped foldecture from the controlled self-assembly of α/β-peptide foldamer

Eom

Gong

Jeong

et al. 2015

Solid State Sciences

Self Cite

View full text Add to dashboard Cite

“…The profile was matched -10 refinement, a pseudo-Voigt function, together with a manually interpolated background, was used to describe the peak shape. A detailed Rietveld refinement procedure for large organic molecules can also be found elsewhere [10][11][12].…”

Section: Experimental Methodsmentioning

confidence: 99%

Structure Transformation of Na-Mg Based Salts for CO2 Capture and Storage at High Temperature Probed with Variable Temperature X-ray Powder Diffraction

Lee

Kim

et al. 2014

Energy Procedia

Self Cite

View full text Add to dashboard Cite

CO 2 sorption on the NaNO 3 incorporated MgO sorbent at 573-673 K has been resulted in the formation of MgCO 3 , referred from the results of in-situ X-ray powder diffraction combined with FT-IR spectrum. There was no interaction between CO 2 and NaNO 3 incorporated MgO sorbent before the melting of NaNO 3 . The fraction of MgCO 3 was increased significantly while the NaNO 3 phase in the MgO sorbent was melted at around 580 K. Further it was demonstrated that the use of eutectic mixture having a low melting point, 496 K, 12 wt% NaNO 3 and 8 wt% KNO 3 impregnated on MgO lower the temperature for CO 2 sorption to ca. 498 K. Therefore, it was suggested that the dissolution of CO 2 in liquid metal nitrate was a critical step for the CO 2 capture as Mg carbonate salts.

show abstract

“…It is probably not a surprise that one of the most complex molecular crystals solved ab initio from powder diffraction data was solved by RMC in parallel tempering mode. It contains 63 organic (non-hydrogen) atoms in the asymmetric unit, and active use of fragments' connectivity knowledge was essential in the structure solution [23].…”

Section: Molecular Compoundsmentioning

confidence: 99%

Crystal Structures from Powder Diffraction: Principles, Difficulties and Progress

Černý

2017

Crystals

View full text Add to dashboard Cite

Abstract:The structure solution from powder diffraction has undergone an intense evolution during the last 20 years, but is far from being routine. Current challenges of powder crystallography include ab initio crystal structure determination on real samples of new materials with specific microstructures, characterization of intermediate reaction products from in situ, in operando studies and novel phases from in situ studies of phase diagrams. The intense evolution of electron diffraction in recent years, providing an experimental (precession) and theoretical (still under intense development) solution to strong dynamic scattering of electrons, smears the traditional frontier between poly-and single-crystal diffraction. Novel techniques like serial snapshot X-ray crystallography point in the same direction. Finally, for the computational chemistry, theoreticians hand-in-hand with crystallographers develop tools where the theory meets experiment for crystal structure refinement, which becomes an unavoidable step in the validation of crystal structures obtained from powder diffraction.Keywords: powder diffraction; structure solution; X-ray diffraction; DFT calculations; electron diffraction The structure solution means in this article determination of the (average) 3D-periodic arrangement of the atoms in the crystal using mainly the information content of Bragg scattering in the diffraction pattern. The case of aperiodic crystals (modulated and quasicrystals), of short-range order (diffuse scattering), as well as of nano-crystals (crystals without measurable Bragg signals) will not be discussed here. The structure prediction, on the other hand, will be used in the sense of the determination of the 3D arrangement of the atoms in the crystal using mainly first-principle calculations, and any experimental observation, like the diffraction pattern, is used only for the validation of the predicted structural model. Indexing: Still a BottleneckDespite an intense development of indexing algorithms in the last 20 years, the detection of the correct lattice may still be a bottleneck of the structure solution in the case of low resolution powder patterns or in the case of monoclinic and triclinic symmetry. A review of known indexing algorithms may be found in Chapter 7 of [3], Chapter 5 of [6] and Chapter 7 of [7]. Each crystallographer and each crystal may work better with a particular algorithm, but as is said in another excellent indexing The advantage of the dichotomy algorithm is its speed (especially in Fox) and its robustness towards low data quality. Indexing is followed by space group determination, which is based on systematic extinction analysis supported by the knowledge of crystal physical properties, like piezoelectricity, the presence of which excludes centrosymmetric space groups. Fairly robust algorithms for space group determination are based on full pattern fitting (Le Bail or Pawley), available in most software packages. The indexing can be quite difficult for the crystals lying on opposite ends of the s...

show abstract

Self-Assembled Peptide Architecture with a Tooth Shape: Folding into Shape

Cited by 70 publications

References 31 publications

Parallelogram plate shaped foldecture from the controlled self-assembly of α/β-peptide foldamer

Parallelogram plate shaped foldecture from the controlled self-assembly of α/β-peptide foldamer

Structure Transformation of Na-Mg Based Salts for CO2 Capture and Storage at High Temperature Probed with Variable Temperature X-ray Powder Diffraction

Crystal Structures from Powder Diffraction: Principles, Difficulties and Progress

Contact Info

Product

Resources

About