Deducing 2D Crystal Structure at the Liquid/Solid Interface with Atomic Resolution: A Combined STM and SFG Study

Langmuir ◽  
2009 ◽  
Vol 25 (22) ◽  
pp. 12847-12850 ◽  
Author(s):  
Arthur A. McClelland ◽  
Seokhoon Ahn ◽  
Adam J. Matzger ◽  
Zhan Chen
Keyword(s):  
Crystal Structure ◽  
Atomic Resolution ◽  
Solid Interface

scholarly journals Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen

2019 ◽  
Vol 10 (29) ◽  
pp. 6979-6983 ◽  
Author(s):  
Alexander J. Kasznel ◽  
Trevor Harris ◽  
Nicholas J. Porter ◽  
Yitao Zhang ◽  
David M. Chenoweth
Keyword(s):  
Crystal Structure ◽  
Computational Analysis ◽  
Atomic Resolution

Chenoweth and co-workers provide an atomic resolution crystal structure and computational analysis illustrating that aza-proline mimics l-proline stereochemistry in collagen.

Atomic resolution crystal structure of squid ganglion DFPase

2002 ◽  
Vol 58 (10) ◽  
pp. 1757-1759 ◽  
Author(s):  
Juergen Koepke ◽  
Eileen I. Scharff ◽  
Christian Lücke ◽  
Heinz Rüterjans ◽  
Günter Fritzsch
Keyword(s):  
Crystal Structure ◽  
Atomic Resolution

Direct observation of incommensurate structure in Mo3Si

2016 ◽  
Vol 72 (6) ◽  
pp. 660-666 ◽  
Author(s):  
Ahmet Gulec ◽  
Xiaoxiang Yu ◽  
Matthew Taylor ◽  
John H. Perepezko ◽  
Laurence Marks
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Atom Probe Tomography ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Atom Probe ◽  
Atomic Resolution ◽  
Contrast Imaging ◽  
Functional Theory ◽  
Incommensurate Structure

Z-contrast imaging, electron diffraction, atom-probe tomography (APT) and density functional theory calculations were used to study the crystal structure of the Mo3Si phase which was previously reported to have an A15 crystal structure. The results showed that Mo3Si has an incommensurate crystal structure with a non-cubic unit cell. The small off-stoichiometry in composition of the sample which was revealed by APT and atomic resolutionZ-contrast imaging suggested that site substitution caused the development of split atomic positions, disorder and vacancies.

Atomic Resolution Investigations of Phase Transformation from TaN to CrTaN in a Steel Matrix

2012 ◽  
Vol 706-709 ◽  
pp. 823-828
Author(s):  
Hilmar Kjartansson Danielsen ◽  
John Hald
Keyword(s):  
Crystal Structure ◽  
Creep Strength ◽  
Power Plants ◽  
Atomic Resolution ◽  
Double Layers ◽  
Steel Matrix ◽  
Phase Precipitation ◽  
Direct Transformation ◽  
Term Creep

In development of 12%Cr high temperature steels used for fossil fired power plants, the precipitation of large Z-phase particles, CrMN, has been identified as a major problem since they replace small and finely distributed MN particles. This causes a premature breakdown in the long-term creep strength of the steel. The Cr content promotes Z-phase precipitation, making MN strengthening of these materials unfeasible, since 12%Cr is necessary for oxidation resistance. The authors have suggested an acceleration of Z-phase precipitation to obtain a fine and stable distribution of CrMN instead of MN, thus preserving long-term creep strength. This can be done by alloying with Ta instead of Nb and V. Recent investigations have indicated a direct transformation of MN into CrMN to take place, not the traditional nucleation/dissolution process. In this paper atomic resolution microscopy shows how Cr atoms diffuse from the steel matrix into TaN precipitates and physically transform them into CrTaN. The crystal structure of the precipitates changes from that of a typical MN NaCl type crystal structure to a Z-phase crystal structure with alternating double layers of Cr and TaN. Since there is a large contrast between heavy Ta atoms and light Cr atoms, the ordering of the Cr layers inside the TaN particles can clearly be observed.

Crystal and Molecular Structure of 7-Diethylamino-[1′,3′,3′-trimethyl-4-((1,3,3-trimethyl-1,3-dihydro-2H-indole-2-ylidene)methyl)-1′,3,3′,4-tetrahydrospiro[chromene-2,2′-indole]]: A Dicondensation Product From the Reaction of 4-Diethylaminosalicylaldehyde with Fischer's Base

2012 ◽  
Vol 65 (7) ◽  
pp. 779 ◽  
Author(s):  
Mohamed Ashraf ◽  
Graeme J. Gainsford ◽  
Andrew J. Kay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Diffraction Data ◽  
Crystal And Molecular Structure ◽  
Atomic Resolution ◽  
Related Structure ◽  
The Novel ◽  
Data Comparison ◽  
Molecular Features

The novel molecule, 7-diethylamino-[1′,3′,3′-trimethyl-4-((1,3,3-trimethyl-1,3-dihydro-2H-indole-2-ylidene)methyl)-1′,3,3′,4-tetrahydrospiro[chromene-2,2′-indole]], was isolated as the product from the condensation of diethylaminosalicylaldehyde with two equivalents of Fischer’s base and its crystal structure determined, initially using MoKα radiation. The diffraction data at higher theta angles (d < 0.9 Å) was notably weak so a further dataset was collected using CuKα to determine the cause. Although a different crystal batch and larger crystal was used and a better dataset obtained (with significantly improved atomic resolution) the comparison shows that the essential molecular features and weak intermolecular binding are duplicated in the refinement with the latter data. Comparison is made with a closely related structure. Consistent with observations for this related structure it is proposed that the product is formed through the interception of an intermediate carbinol by Fischer’s base.

scholarly journals Atomic resolution crystal structure of glutaredoxin 1 fromPlasmodium falciparumand comparison with other glutaredoxins

2013 ◽  
Vol 70 (1) ◽  
pp. 91-100 ◽  
Author(s):  
Manickam Yogavel ◽  
Timir Tripathi ◽  
Ankita Gupta ◽  
Mudassir Meraj Banday ◽  
Stefan Rahlfs ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Atomic Resolution

IL MILIONE: a suite of computer programs for crystal structure solution of proteins

2007 ◽  
Vol 40 (3) ◽  
pp. 609-613 ◽  
Author(s):  
Maria C. Burla ◽  
Rocco Caliandro ◽  
Mercedes Camalli ◽  
Benedetta Carrozzini ◽  
Giovanni L. Cascarano ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electron Density ◽  
Heavy Atom ◽  
Direct Methods ◽  
Computer Programs ◽  
Atomic Resolution ◽  
Protein Crystal ◽  
Anomalous Scattering ◽  
Isomorphous Replacement ◽  
Phase Extension

IL MILIONEis a suite of computer programs devoted to protein crystal structure determination by X-ray crystallography. It may be used in the following key activities. (a)Ab initiophasing,viaPatterson or direct methods. The program may succeed even with structures with up to 6000 non-H atoms in the asymmetric unit, provided that atomic resolution is available, and with data at quasi-atomic resolution (1.4–1.5 Å). (b) Single or multiple isomorphous replacement, single- or multiple-wavelength anomalous diffraction, and single or multiple isomorphous replacement with anomalous scattering techniques. In the first step the program finds the heavy-atom/anomalous scatterer substructure, then automatically uses the above information to phase protein reflections. Phase extension and refinement are performed by electron density modification techniques. (c) Molecular replacement. The orientation and the location of the protein molecules are foundviareciprocal space methods. Phase extension and refinement are performed by electron density modification techniques. All the programs integrated intoIL MILIONEare controlled by means of a user-friendly graphical user interface, which is used to input data and to monitor intermediate and final results by means of real-time updated messages, diagrams and histograms.

scholarly journals Metallocenyl 7‐ACA Conjugates: Antibacterial Activity Studies and Atomic‐Resolution X‐ray Crystal Structure with CTX‐M β‐Lactamase

ChemBioChem ◽  
2020 ◽  
Vol 21 (15) ◽  
pp. 2187-2195
Author(s):  
Eric M. Lewandowski ◽  
Łukasz Szczupak ◽  
Aleksandra Kowalczyk ◽  
Gracia Mendoza ◽  
Manuel Arruebo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Antibacterial Activity ◽  
Atomic Resolution ◽  
X Ray
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