Call for papers: 2016 themed issue

We are delighted to announce a new CrystEngComm themed issue to be published in 2016:

CrystEngComm

New Talent
Guest Editors: Professor Rahul Banerjee (CSIR-National Chemical Laboratory), Professor Graeme Day (University of Southampton), Professor Tomislav Friščić (McGill University) and Professor Hongjie Zhang (Changchun Institute of Applied Chemistry).
Deadline: 24th December 2015

This themed issue will focus on cutting-edge research covering all aspects of the design and understanding of solid state and crystalline materials – from supramolecular interactions to crystal growth – and it will showcase the excellent work being carried out around the world by emerging members of the academic community.

Are you an emerging member of the academic community with research in this area? If so, we would welcome your contribution.

How to submit

All types of manuscript – communications, full papers and Highlights, will be considered for publication. The manuscript should be prepared according to our article guidelines and submitted via our online system.

All manuscripts will be subject to normal peer review and inclusion in the themed issue will be at the discretion of the Guest Editors. Please indicate in your submission the name of the themed issue that you would like to be considered for.

Are you interested in contributing? Contact us for further details

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Sensing hazardous gases using tungsten trioxide microflowers

A facile new preparation of shape-controlled tungsten trioxide (WO3) sensors is reported in a recent paper by Zhang et al.  These sensors show good selectivity towards the hazardous gas hydrogen sulfide (H2S) at a relatively low operating temperature.

Detection of hazardous gases is necessary to monitor environmental pollution and ensure levels do not exceed legally permitted limits.  In the case of H2S, the general industry ceiling limit is 20 ppm.  At concentrations of above 50 ppm, eye damage is likely and at higher concentrations (above 320 ppm) pulmonary oedema and breathing problems resulting in death can occur.  There is, therefore, a demand for cheap, reliable and selective sensors for identifying low concentrations of H2S.

Metal-oxide semiconductors such as WO3 are attractive potential sensors which are relatively cheap and easy to fabricate.  As the sensing ability of the particles depends on their morphology, the preparation of shape-controlled particles is a requirement.  Zhang et al achieve this by reacting sodium tungstate and potassium sulfate in an acidic environment.  Adding oxalic acid and heating at 100oC then calcining the resulting product produces WO3 microflowers, of diameter 16 μm. Study of the reaction shows it can be divided into four processes.  Crucially, during the final stage, needle-like nanosheets grow radially from central particles to produce a flower-like morphology (see the scheme below).

Tungsten trioxide sensors for hazardous gases

These particles have excellent potential for application as H2S sensors – at 160oC they show high sensitivity and sensor response along with good repeatability and selectivity towards H2S.  The high performance of WO3 microflowers is related to their structure.  They are assembled from nanosheets composed of several nanowhiskers in parallel, giving highly exposed surfaces and so more pathways for gas absorption and electron exchange.  The nanosheets are homogeneous and single-crystalline so electron transport can occur between particles without overcoming boundary barriers which would decrease the sensitivity.

For more details, read the full paper at:

Low-temperature solvothermal synthesis of hierarchical flower-like WO3nanostructures and their sensing properties for H2S
Bingxin Xiao, Qi Zhao, Chuanhai Xiao, Tianye Yang, Pan Wang, Fei Wang, Xiaodong Chen and Mingzhe Zhang
CrystEngComm, 2015
DOI: 10.1039/C5CE00870K

____________________________________________________________________________________________

Gwenda KydGwenda Kyd has a PhD in metallocarborane chemistry from the University of Edinburgh. Other research work includes the spectroscopic study of the structure of glasses and organometallic electron-transfer reactions and the preparation of new inorganic phosphors. She has recently published a book on chemicals from plants.

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July’s HOT articles

Take a look at July’s HOT articles and remember that these are only free to access for 4 weeks. The HOT article have been compiled into a collection and are available for viewing on our website

Growth of high quality single crystals of strontium doped (Nd,Pr)-nickelates, Nd2−xSrxNiO4+δ and Pr2−xSrxNiO4+δ
O. Wahyudi, M. Ceretti, I. Weill, A. Cousson, F. Weill, M. Meven, M. Guerre, A. Villesuzanne, J.-M. Bassat and W. Paulus
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00906E 

Graphical Abstract 

Free to access until 6th August 2015 


1D iron(II) spin crossover coordination polymers with 3,3′-azopyridine – kinetic trapping effects and spin transition above room temperature
Sophie Schönfeld, Charles Lochenie, Peter Thoma and Birgit Weber
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00800J

 Graphical Abstract

Free to access until 6th August 2015

 


Diamond crystallization from an Mg–C system under high pressure, high temperature conditions
Y. N. Palyanov, Y. M. Borzdov, I. N. Kupriyanov, A. F. Khokhryakov and D. V. Nechaev
CrystEngComm, 2015, 17, 4928-4936
DOI: 10.1039/C5CE00897B

 Graphical Abstract

Free to access until 6th August 2015


Scalable synthesis of djurleite copper sulphide (Cu1.94S) hexagonal nanoplates from a single precursor copper thiocyanate and their photothermal properties 
Donghwan Yoon, Haneul Jin, Suho Ryu, Suhyun Park, Hionsuck Baik, Seung Jae Oh, Seungjoo Haam, Chulmin Joo and Kwangyeol Lee 
CrystEngComm, 2015, 17, 4627-4631 
DOI: 10.1039/C5CE00638D 

Graphical Abstract

Free to access until 6th August 2015 


Macroscopic glass-permeated single-crystals of fresnoite 
Wolfgang Wisniewski, Marcus Nagel and Christian Rüssel 
CrystEngComm, 2015, 17, 5019-5025 
DOI: 10.1039/C5CE00856E 

Graphical Abstract

Free to access until 6th August 2015


Synergy of Mg2+ and poly(aspartic acid) in additive-controlled calcium carbonate precipitation 
Stefan L. P. Wolf, Kathrin Jähme and Denis Gebauer 
CrystEngComm, 2015, Advance Article 
DOI: 10.1039/C5CE00452G 

Graphical Abstract

Free to access until 6th August 2015

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Nanoparticles for chemotherapy drug delivery

A new paper by Wang et al. reports the facile synthesis of dispersed polyacrylic acid (PAA)/calcium carbonate nanoparticles which show ultrahigh loading capacity for the liver cancer drug doxorubin (DOX), in addition to its pH sensitive release.

While calcium carbonate particles are attractive potential drug delivery vehicles due to their biocompatibility and pH sensitivity, previously synthesised particles have been micrometer sized and show only limited drug uptake, both of which present barriers to their use.   These issues have now been overcome.  Using PAA-sodium salt as a template, PAA/calcium carbonate particles were produced with an average size of 120 nm by ion exchange followed by heating in carbon dioxide (see diagram below).

Liver cancer chemotherapy drug delivery

The presence of carboxylate groups in PAA is the root of the new nanoparticles’ high uptake of positively charged molecules such as DOX– up to 98 % loading efficiency was observed.  Release of DOX was shown to be faster in mildly acidic conditions like that in extracellular cancer cells, allowing targeting of these cells.

The anti-cancer activity of DOX-loaded PAA/calcium carbonate particles in vitro was compared to DOX-free particles and free DOX using the standard MTT assay.   Cytotoxicity of free DOX was similar to that of the DOX-loaded particles, while the DOX-free particles showed no cytotoxicity.   The performance of free-DOX was also compared to DOX-loaded nanoparticles in vivo.   Compared to the control, the group treated with DOX-loaded nanoparticles showed a 76 % reduction in liver tumour size, while the group treated with free DOX showed a 41 % reduction.   In addition, there were no toxic effects observed for DOX-loaded particles.

These results demonstrate the potential application of PAA/calcium carbonate nanoparticles as delivery vehicles for doxorubin.  Further studies are being carried out to investigate the inclusion of magnetic and/or fluorescent compounds to produce multifunctional materials for simultaneous cancer diagnostic and therapeutic application.

For more information, see the full paper at:

Designed preparation of polyacrylic acid/calcium carbonate nanoparticles with high doxorubicin payload for liver cancer chemotherapy
Hanzhu Shi, Lu Li, Lingyu Zhang, Tingting Wang, Chungang Wang, Dongxia Zhu and Zhongmin Su
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00708A

__________________________________________________________________________________________________

Gwenda KydGwenda Kyd has a PhD in metallocarborane chemistry from the University of Edinburgh. Other research work includes the spectroscopic study of the structure of glasses and organometallic electron-transfer reactions and the preparation of new inorganic phosphors. She has recently published a book on chemicals from plants.

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Selective and reversible adsorption of VOCs by a new MOF

A new paper by Yu-Bin Dong et al reports a metal-organic framework (MOF) which not only reversibly adsorbs two different classes of volatile organic compounds (VOCs), but within each class also shows selectivity allowing separation of chemically similar examples.

VOCs are widely used in the chemical industry but their release into the environment is undesirable, as they can cause damage both to the environment and to human health.  Porous materials such as MOFs are attractive as potential adsorbents of VOCs and could also allow separation of examples with similar boiling points, which proves difficult by other methods such as distillation.

The new MOF consists of ditriazole-N-butylcarbazole ligands bridging Cu ions, forming a framework with square-like pores.  The ligand butyl groups point into the pores, making them hydrophobic.   The adsorption of VOCs classified as chlorocarbons (e.g. CH2Cl2) and aromatic solvents such as benzene and toluene were shown to be fully reversible under ambient conditions.

Tests on the selectivity towards chlorocarbons showed that CHCl3 was adsorbed in preference to CH2Cl2 from a mixture.  This suggests that, unusually, selectivity may be based on the polarity of the molecules rather than the size – CHCl3 is larger but less polar than CH2Cl2.

In the case of the aromatic molecules, it proved possible to separate benzene and toluene from mixtures of toluene/ethylbenzene/xylene and ethylbenzene/xylene, respectively.   In both these systems, the larger molecules are adsorbed in preference to the smaller (benzene or toluene, respectively) – see diagram below.

Selective and reversible solvent separation by a MOF

Rather than being determined by the size or polarity of the solvent molecules, this can be explained if the hydrophobic properties are considered.  More hydrophobic molecules, such as ethylbenzene, are preferentially adsorbed into the hydrophobic pores present in the MOF, where they form favourable hydrophobic interactions.

The MOF reported here adds to the range available that show specific properties with regards to adsorption and separation of VOCs, unusually demonstrating specificity related to both the polarities and hydrophobicity of the VOCs.

For more information read the full paper at:

Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(II)-metal organic framework
Fan Yang, Qi-Kui Liu, Jian-Ping Ma, Yan-An Li, Ke-Xin Wang and Yu-Bin Dong
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00547G
__________________________________________________________________________________________________
Gwenda KydGwenda Kyd has a PhD in metallocarborane chemistry from the University of Edinburgh. Other research work includes the spectroscopic study of the structure of glasses and organometallic electron-transfer reactions and the preparation of new inorganic phosphors. She has recently published a book on chemicals from plants.
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HOT articles

Take a look at the below HOT articles for the month of May and remember that these are only free to access for 4 weeks. The HOT article have been compiled into a collection and are available for viewing on our website.

Manufacture of dense CAU-10-H coatings for application in adsorption driven heat pumps: optimization and characterization
M. F. de Lange, T. Zeng, T. J. H. Vlugt, J. Gascon and F. Kapteijn
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00789E

Graphical Abstract

Free to access until 30th June 2015


Regiospecific growth of Au on a concave PtZn nanocube forming an Au–PtZn surface mosaic nanocube and an Au–PtZn octapod
Ki Woong Lee, Hyohyun An, Seungjoo Haam, Hionsuck Baik and Kwangyeol Lee
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00429B

Graphical Abstract

Free to access until 16th June 2015


In situ total X-ray scattering study of the formation mechanism and structural defects in anatase TiO2 nanoparticles under hydrothermal conditions
Jian-Li Mi, Kirsten M. Ø. Jensen, Christoffer Tyrsted, Martin Bremholm and Bo B. Iversen
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00544B

Graphical Abstract

Free to access until 16th June 2015


Tracking the transformations of mesoporous microspheres of calcium silicate hydrate at the nanoscale upon ibuprofen release: a XANES and STXM study
Xiaoxuan Guo, Zhiqiang Wang, Jin Wu, Yongfeng Hu, Jian Wang, Ying-Jie Zhu and Tsun-Kong Sham
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00500K

Graphical Abstract

 

Free to access until 16th June 2015


Blue light production by type-I non-critical phase matching second-harmonic generation in La(Ca1−xSrx)4O(BO3)3 single crystals
Alexandru Achim, Lucian Gheorghe, Flavius Voicu and George Stanciu
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00125K

Graphical Abstract

Free to access until 16th June 2015


High quality β-FeOOH nanostructures constructed by a biomolecule-assisted hydrothermal approach and their pH-responsive drug delivery behaviors
Xinyu Zhang, Juan Ge, Bo Lei, Yumeng Xue and Yaping Du
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00559K

Graphical Abstract

Free to access until 16th June 2015


Recent advances in the construction of lanthanide–copper heterometallic metal–organic frameworks
Shaowei Zhang and Peng Cheng
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00237K

Graphical Abstract

Free to access until 16th June 2015


Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal
Marc Schmidtmann, Derek S. Middlemiss and Chick C. Wilson
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00123D

Graphical Abstract

Free to access until 25th May 2015


Static and lattice vibrational energy differences between polymorphs
Jonas Nyman and Graeme M. Day
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00045A

Graphical Abstract

 Free to access until 25th May 2015


Structural insights into the hexamorphic system of an isoniazid derivative
D. Hean, T. Gelbrich, U. J. Griesser, J. P. Michael and A. Lemmerer
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00275C

Graphical Abstract

Free to access until 25th May 2015


Three anhydrous forms and a dihydrate form of quifenadine hydrochloride: a structural study of the thermodynamic stability and dehydration mechanism
Artis Kons, Ligita Rutkovska, Agris Bērziņš, Raitis Bobrovsa and Andris Actiņš
CrystEngComm, 2015,17, 3627-3635
DOI: 10.1039/C5CE00426H

Graphical Abstract
Free to access until 25th May 2015
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2nd ICSU/IUPAC Workshop on Crystal Engineering

The 2nd ICSU/IUPAC Workshop on Crystal Engineering will be held in Como, Italy on August 30-September 1, 2015.

The Chairmen of the Workshop, Pierangelo Metrangolo and Giuseppe Resnati, invite you to participate in this memorable event.

2nd ICSU/IUPAC Workshop on Crystal EngineeringThis international workshop will also serve as the mid-term meeting of the ICSU project CONvINCE “CONcepts and termINology in Crystal Engineering” and of the IUPAC project no. 2012-044-1-100 “Basic Terminology of Crystal Engineering”. The objectives of these projects are to produce guidelines for terminology in the area of crystal engineering.

The program of the workshop will comprise invited lectures by internationally renowned leaders in the field. Poster presentations are also scheduled and opportunities are planned for young scientists’ networking with both peers and recognized leaders in the field.

Participation is free and limited to a maximum number of 150 attendees, which will be selected on a first come first served basis.

The deadline for registration and abstract submission is June 30, 2015.

Full details of the Workshop can be found here.
For more information, please contact the:
Scientific Secretariat: johanna.syvanen@polimi.it or the Organizing Secretariat: chiara.stefanetti@centrovolta.it

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Porous materials with tunable hourglass-shaped channels

In a recent paper, Langford et al report the formation of three new molecular porous materials with tunable channels.  Tunability of the size and shape of the channels is important in the design of materials for gas sensing, guest exchange, catalysis and drug delivery.  Other important factors such as thermal and solvent stabilities are also good.

The new compounds are readily prepared from tin(IV) porphyrin phenolates. Their structures feature a one-dimensional hourglass-shaped channel lined with methyl groups.  The nature of the channel is readily varied by changing the methyl substitution of the phenolate component.  In this way, the pore radius can be varied from 3.1 Å to 4.5 Å (see diagram below, showing the three compounds down the crystallographic c axis with channels shown as orange spheres and phenolic methyl groups lining the channel shown in purple).

tin(iv)porphyrin phenolate materials

The compounds are robust compared to other molecular porous materials, thought to be due to a combination of stabilisation by hydrogen bonding and stacking of the aromatic groups.  In combination with the tunability, this suggests potential use for guest exchange or in small molecule capture applications and further investigation of this is ongoing.

For more information see the full paper at:

Supramolecular materials with robust and tunable channels constructed from tin(IV)porphyrin phenolates
Shuang Wang, Craig Forsyth and Steven J. Langford
CrystEngComm, 2015,17, 3060-3063

________________________________________________________________________________________________

Gwenda KydGwenda Kyd has a PhD in metallocarborane chemistry from the University of Edinburgh. Other research work includes the spectroscopic study of the structure of glasses and organometallic electron-transfer reactions and the preparation of new inorganic phosphors. She has recently published a book on chemicals from plants.

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IUPAC project meeting and workshop: Topology representations in coordination networks, MOFs and other crystalline materials

Posted on behalf of Lars Öhrström (CrystEngComm Advisory Board)

A follow up to the IUPAC project on the somewhat controversial issue on terminology of metal-organic frameworks and coordination polymers deals with the question of how we describe and communicate the structures of MOFs, PCPs and related network forming compounds.

The use of topology is very efficient in describing, disseminating and even designing such new materials, and the IUPAC task group deals with the project: Terminology guidelines and database issues for topology representations in coordination networks, metal-organic frameworks and other crystalline materials. As it turns out, network topology is also important, albeit sadly neglected, for the group 14 allotropes and even polymorphs of water.

The task group invite all who are interested to a workshop in Samara, Russia 21-23 May 2015 under the devise ”Describe, Disseminate and Design”. The workshop will feature talks by prominent scientist highlighting the network topology approach from many different angles, from mathematics to chemical synthesis and will also help the task group to gather viewpoints from the community. There will also be a poster session.

You can register and submit an abstract until 30th April 2015.

If you are interested but can’t make it, why not send thoughts directly to the project chair, Lars Öhrström or on twitter @larsohrstrom #IUPACmof2

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March’s HOT articles

Take a look at March’s HOT articles below and remember that these are only free to access for 4 weeks. The HOT article have been compiled into a collection and are available for viewing on our website.

Understanding the packing in the 1:1 molecular complex 1,3,5-tricyanobenzene–hexamethylbenzene by probing lattice modes
John A. Stride
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00328H

Graphical Abstract

Free to access until 23rd April 2015


Influence of oxygen partial pressure on SrTiO3 bulk crystal growth from non-stoichiometric melts
Christo Guguschev, Dirk J. Kok, Zbigniew Galazka, Detlef Klimm, Reinhard Uecker, Rainer Bertram, Martin Naumann, Uta Juda, Albert Kwasniewski and Matthias Bickermann
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00095E

Graphical Abstract

Free to access until 14th April 2015


Crystallization and disorder of the polytypic α1 and α2 polymorphs of piroxicam
Pratik P. Upadhyay and Andrew D. Bond
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C5CE00050E

Graphical Abstract

Free to access until 14th April 2015

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