Special Issue "Selected Papers from "The Sixth Annual Conference of Chinese Crystallographic Society""

A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: closed (15 April 2017)

Special Issue Editors

Guest Editor
Prof. Dr. Helmut Cölfen

Physical Chemistry, Universität Konstanz, Universitätsstraße 10, Box 714, D-78457 Konstanz, Germany
Website | E-Mail
Fax: +49 7531 88 3139
Interests: nucleation; nanoparticle self organization; non classical crystallization; mesocrystals; biomineralization; nanoparticle analysis by fractionating methods
Guest Editor
Prof. Dr. Mei Pan

School of Chemistry & Chemical Engineering ,Sun Yat-sen University, Guangzhou 510275, China
Website | E-Mail
Interests: diversity and isomerism in the structure of supramolecules; properties and application of optical, non-linear optical and chiral supramolecular complexes; theoretical study on the relationship between the structure and properties of coordination supramolecular complexes

Special Issue Information

Dear Colleagues,

This Special Issue is related to “The Sixth Annual Conference of Chinese Crystallographic Society”, which will be held in Guang Zhou, China from 19–22 December, 2016.

This Special Issue seeks updated and new knowledge on the area of crystallography, the topics may include, but are not limited to:

  • Macromolecule crystallography
  • Functional molecular crystal
  • Polycrystal (powder) diffraction
  • Nonlinear optics crystals and laser crystalline materials
  • Electronic crystallography
  • Pharmaceutical crystallography
  • Extreme conditions on crystalline materials, etc.

Participants of the conference are cordially invited to contribute original research papers or reviews to this Special Issue of Crystals.

Prof. Dr. Helmut Cölfen
Prof. Dr. Mei Pan
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers (6 papers)

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Research

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Open AccessArticle Design and Synthesis of an Eu-Based β-Diketone-Sensor for the Detection of Al3+ Ions
Crystals 2017, 7(6), 150; doi:10.3390/cryst7060150
Received: 28 March 2017 / Revised: 13 May 2017 / Accepted: 22 May 2017 / Published: 24 May 2017
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Abstract
A new β-diketone, 2,2,2-trifluoro-1-(4-hydroxy-2H-chromen-3-yl)ethanone (4-TFC), which contains a trifluorinated alkyl group and a rigid chromanone, has been designed and synthesised successfully, and utilized for the synthesis of a new stable Eu3+ ion-based 4-TFC lanthanide complex (1). The central Eu3+ ion is
[...] Read more.
A new β-diketone, 2,2,2-trifluoro-1-(4-hydroxy-2H-chromen-3-yl)ethanone (4-TFC), which contains a trifluorinated alkyl group and a rigid chromanone, has been designed and synthesised successfully, and utilized for the synthesis of a new stable Eu3+ ion-based 4-TFC lanthanide complex (1). The central Eu3+ ion is eight-coordinated by two O/N atoms from ancillary ligands and six oxygen atoms provided by three 4-TFC ligands. In particular, the complex (1) can detect Al3+ ions with high selectivity and sensitivity in a moment and can be seen by the naked eye clearly under 365 nm. The experimental data can be explained with the calculated transitions quite well. Full article
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Open AccessArticle A New Hemihydrate of Valacyclovir Hydrochloride
Crystals 2017, 7(5), 140; doi:10.3390/cryst7050140
Received: 28 March 2017 / Revised: 9 May 2017 / Accepted: 11 May 2017 / Published: 16 May 2017
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Abstract
Several crystal forms of valacyclovir hydrochloride, including two anhydrous and three hydrates, were investigated in this study. At the same time, a new hemihydrate of valacyclovir hydrochloride was first discovered and its properties were characterized by PXRD, TGA, DSC, and Raman in this
[...] Read more.
Several crystal forms of valacyclovir hydrochloride, including two anhydrous and three hydrates, were investigated in this study. At the same time, a new hemihydrate of valacyclovir hydrochloride was first discovered and its properties were characterized by PXRD, TGA, DSC, and Raman in this study. The hemihydrate shows a distinctive PXRD pattern and a melting point of 209 °C with a water weight loss of 2.42% from the thermal analysis. The Raman spectra show a few distinctive peaks in the region of 1250–1400 cm−1 due to different crystal forms. The thermostability testing suggests it is a stable crystal form and remain the same for several months under high temperature and humidity. All these crystal forms show good dissolubility in the water at room temperature with excess 100 mg/mL. Full article
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Open AccessArticle Determination of Supercooling Degree, Nucleation and Growth Rates, and Particle Size for Ice Slurry Crystallization in Vacuum
Crystals 2017, 7(5), 128; doi:10.3390/cryst7050128
Received: 7 April 2017 / Revised: 28 April 2017 / Accepted: 29 April 2017 / Published: 5 May 2017
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Abstract
Understanding the crystallization behavior of ice slurry under vacuum condition is important to the wide application of the vacuum method. In this study, we first measured the supercooling degree of the initiation of ice slurry formation under different stirring rates, cooling rates and
[...] Read more.
Understanding the crystallization behavior of ice slurry under vacuum condition is important to the wide application of the vacuum method. In this study, we first measured the supercooling degree of the initiation of ice slurry formation under different stirring rates, cooling rates and ethylene glycol concentrations. Results indicate that the supercooling crystallization pressure difference increases with increasing cooling rate, while it decreases with increasing ethylene glycol concentration. The stirring rate has little influence on supercooling crystallization pressure difference. Second, the crystallization kinetics of ice crystals was conducted through batch cooling crystallization experiments based on the population balance equation. The equations of nucleation rate and growth rate were established in terms of power law kinetic expressions. Meanwhile, the influences of suspension density, stirring rate and supercooling degree on the process of nucleation and growth were studied. Third, the morphology of ice crystals in ice slurry was obtained using a microscopic observation system. It is found that the effect of stirring rate on ice crystal size is very small and the addition of ethylene glycoleffectively inhibits the growth of ice crystals. The results in this paper can provide theoretical guidance and technical support for the development of vacuum icemakers. Full article
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Open AccessArticle Enhanced Framework Rigidity of a Zeolitic Metal-Azolate via Ligand Substitution
Crystals 2017, 7(4), 99; doi:10.3390/cryst7040099
Received: 2 March 2017 / Revised: 25 March 2017 / Accepted: 27 March 2017 / Published: 31 March 2017
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Abstract
The elastic properties of a zeolitic metal-azolate framework, Zn(mtz)2 (MAF-7, mtz = 3-methyl-1,2,4-triazolate), have been examined from the view point of the first principles calculations and experiments. Our results demonstrate that the three independent elastic constants of MAF-7 are about 5.0–73.3%
[...] Read more.
The elastic properties of a zeolitic metal-azolate framework, Zn(mtz)2 (MAF-7, mtz = 3-methyl-1,2,4-triazolate), have been examined from the view point of the first principles calculations and experiments. Our results demonstrate that the three independent elastic constants of MAF-7 are about 5.0–73.3% higher than those of ZIF-8, though they are isomorphic. The electron-donating effect of the nitrogen atom at the 2-position in mtz- ring dominantly accounts for such a prominent difference. The detailed analysis of the full elastic tensors reveals that the volume moduli, shear moduli, and Poisson’s ratios of MAF-7 are about 3.4% to 20.1%, 3.2% to 20.6%, and −30.3% to 12.3% higher than those of ZIF-8. The underlying structural reasons were discussed to explain the anisotropic difference of those properties. Moreover, the conclusion deduced from first-principle calculations was also been verified by nanoindentation and high-pressure synchrotron X-ray diffraction measurements. Full article
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Open AccessArticle Synthesis, Characterization and Catalytic Performance of Well-Ordered Crystalline Heteroatom Mesoporous MCM-41
Crystals 2017, 7(4), 89; doi:10.3390/cryst7040089
Received: 27 February 2017 / Revised: 16 March 2017 / Accepted: 17 March 2017 / Published: 23 March 2017
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Abstract
Mesoporous heteroatom molecular sieve MCM-41 bulk crystals with the crystalline phase were synthesized via a one-step hydrothermal method using an ionic complex as template. The ionic complex template was formed by interaction between cetyltrimethylammonium ions and metal complex ion [M(EDTA)]2− (M =
[...] Read more.
Mesoporous heteroatom molecular sieve MCM-41 bulk crystals with the crystalline phase were synthesized via a one-step hydrothermal method using an ionic complex as template. The ionic complex template was formed by interaction between cetyltrimethylammonium ions and metal complex ion [M(EDTA)]2− (M = Co or Ni)]. The materials were characterized by X-ray diffraction, scanning electron microscopy, high-resolution transmission electron microscopy, N2 adsorption-desorption isotherms, and X-ray absorption fine structure spectroscopy. The results showed that the materials possess a highly-ordered mesoporous structure with a crystalline phase and possess highly uniform ordered arrangement channels. The structure is in the vertical cross directions with a crystalline size of about 12 µm and high specific surface areas. The metal atoms were incorporated into the zeolite frameworks in the form of octahedral coordinate and have a uniform distribution in the materials. The amount of metal complexes formed by metal ion and EDTA is an essential factor for the formation of the vertical cross structure. Compared to Si-MCM-41, the samples exhibited better conversion and higher selectivity for cumene cracking. Full article
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Review

Jump to: Research

Open AccessReview Ice Microstructure and Fabric of Guliya Ice Cap in Tibetan Plateau, and Comparisons with Vostok3G-1, EPICA DML, and North GRIP
Crystals 2017, 7(4), 97; doi:10.3390/cryst7040097
Received: 17 January 2017 / Revised: 20 March 2017 / Accepted: 22 March 2017 / Published: 30 March 2017
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Abstract
This work is the first in the general natural ice literature to compare microstructures and fabrics of continent-type mountain ice in mid-low latitudes with polar ice in order to find out how they evolved based on similar fabric patterns of their vertically girdles.
[...] Read more.
This work is the first in the general natural ice literature to compare microstructures and fabrics of continent-type mountain ice in mid-low latitudes with polar ice in order to find out how they evolved based on similar fabric patterns of their vertically girdles. Microstructures and fabrics along the Guliya ice core on the Tibetan Plateau, China, were measured at a depth interval of approximately 10 m. The grain sizes increase unevenly with depth. The fabric patterns vary from the isotropic fabric, to broad single maximum, to vertical girdle, to single-maximum, and finally to multiple-maximum fabric. The grain growth rate of the Guliya core is faster than that of the Vostok3G-1, the EPICA DML, and the North GRIP. The vertical girdle fabric of the Guliya core forms at a high temperature and low strain rate. The strong single maximum fabric of the Guliya core appears in the mid-low part of the core with vertical uniaxial compression or simple shear. The thermal kinemics caused by the temperature can play a vital role in different stress cases to cast the similar or same fabric patterns. Normal grain growth, polygonization/rotation recrystallization, and migration recrystallization play roles different importance at different depths. Full article
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