Welcoming new Editorial board member: Professor Tong-Bu Lu

Welcome to CrystEngComm’s newest Editorial board member – Professor Tong-Bu Lu. Professor Lu works at the Institute for New Energy Materials and Low Carbon Technologies, based at the Tianjin University of Technology, China.

His research interests include the recognition and activation of molecules and ions by the macrocyclic compounds; the constructions of porous metal-organic frameworks, and investigation of their properties for gases storages and separation, ions exchange and chiral separation and pharmaceutical polymorphs and cocrystals. He has been recognised as a distinguished Professor in Guangdong Province, China

Please see below a selection of recent articles published by Professor Lu for CrystEngComm:

Interpenetrating metal–organic frameworks
Yun-Nan Gong, Di-Chang Zhong and Tong-Bu Lu
CrystEngComm, 2016, 18, 2596-2606
DOI: 10.1039/C6CE00371K, Highlight

Synthesis and structures of dinuclear cryptates with Zn(II), Cd(II) and Hg(II): tuning the cascade binding mode with metal ions
Feng Yan, Xiao-Mei Zhuang and Tong-Bu Lu
CrystEngComm, 2015, 17, 5832-5840
DOI: 10.1039/C5CE00817D, Paper

Thermodynamics and preliminary pharmaceutical characterization of a melatonin–pimelic acid cocrystal prepared by a melt crystallization method
Yan Yan, Jia-Mei Chen and Tong-Bu Lu
CrystEngComm, 2015, 17, 612-620
DOI: 10.1039/C4CE01921K, Paper

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Most Cited of 2016

Here are some of the most cited research papers published CrystEngComm in 2016. With authors from China, India, the UK, Malaysia, Canada and Portugal they highlight what’s hot in the world of Crystal Engineering.

Graphical abstract: Inside front cover

Hao Cui, Yingxia Wang, Yanhu Wang, Yan-Zhong Fan, Li Zhang and Cheng-Yong Su  
CrystEngComm, 2016,18, 2203-2209
DOI: 10.1039/C6CE00358C
CrystEngComm, 2016,18, 2490-2499
DOI: 10.1039/C5CE02492G
S. S. Kushvaha, M. Senthil Kumar, B. S. Yadav, Pawan K. Tyagi, Sunil Ojha, K. K. Maurya and B. P. Singh 
CrystEngComm, 2016,18, 744-753
DOI: 10.1039/C5CE02257F
Kai-Min Wang, Lin Du, Yu-Lu Ma, Jing-Song Zhao, Quan Wang, Tong Yan and Qi-Hua Zhao  
CrystEngComm, 2016,18, 2690-2700
DOI: 10.1039/C5CE02367J
Anirban Karmakar, Susanta Hazra, M. Fátima C. Guedes da Silva, Anup Paul and Armando J. L. Pombeiro  
CrystEngComm, 2016,18, 1337-1349
DOI: 10.1039/C5CE01456E
Yee Seng Tan, Siti Nadiah Abdul Halim, Kieran C. Molloy, Anna L. Sudlow, A. Otero-de-la-Roza and Edward R. T. Tiekink  
CrystEngComm, 2016,18, 1105-1117
DOI: 10.1039/C5CE02126J
Xiao-Wu Lei, Cheng-Yang Yue, Li-Juan Feng, Yong-Fang Han, Rong-Rong Meng, Jiang-Tao Yang, Hao Ding, Chuan-Sheng Gao and Chun-Yan Wang  
CrystEngComm, 2016,18, 427-436
DOI: 10.1039/C5CE01669J

 

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Call for papers: 2017 themed issues

We are delighted to announce two new CrystEngComm themed issues to be published in 2017:

Metal Organic Framework Catalysis Guest Editors: Professors Christian Doonan and Christopher Sumby (University of Adelaide, Australia) Deadline: 27th February 2017

Covalent Organic Frameworks and Organic Cage Structures Guest Editors: Professors Rahul Banerjee (CSIR-National Chemical Laboratory, India) and Neil Champness (University of Nottingham, UK) Deadline: 28th March 2017

Does your research fit into any of these subject areas? If so, we would welcome your contribution. For further details on issue scopes and on how to submit, see below:

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 which themed issue you would like to be considered for.

Issue scopes

Metal-Organic Framework Catalysis: This issue will focus on structural aspects of MOFs related to catalysis including but not limited to; post-synthetic modification strategies, incorporation of catalytic moieties into the framework structure, the generation of coordinatively unsaturated or defect sites and the characterisation of composite materials and hierarchical architectures that display catalytic properties. Structural and mechanistic insight into catalytic reactions garnered through MOF chemistry are also sought. MOFs are promising materials for heterogeneous catalysis and the central aim of this special issue is to elucidate how structural motifs can be incorporated into the design of MOFs with potentially novel catalytic activities.

Covalent Organic Frameworks and Organic Cage Structures: The aim of this themed issue is to focus on the design strategies for the construction of porous organic materials, including covalent organic frameworks and organic cage structures with new physicochemical properties. This issue will also focus on any associated challenges in terms of synthesis, crystallization and structure–property relationships of covalent organic frameworks and organic cage structures.

Interested in submitting a paper? Please contact us for more information

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Stability of the anti-histamine drug loratadine

Drugs are often prepared in crystalline form.  However, the relative thermodynamic stability of crystalline compounds can limit water solubility and bioavailability in the body.  An alternative is to make the drugs in an amorphous form that is less stable and more soluble.  Unfortunately, this form tends to revert to the crystalline form during manufacture, processing or storage, which can limit its usefulness.   A new paper by Aiguo Zeng et al., aims to increase understanding of the crystallisation of amorphous drugs, using loratadine (shown below) as a model compound.

Quench-cooling amorphous loratadine

Loratadine is a widely-available, non-sedating anti-histamine, used to treat hay-fever and other allergies.  It has been on the market since 1993 and is included in the World Health Organisation’s Model List of Essential Medicines.

Four amorphous samples were prepared by quench-cooling – where molten compounds are rapidly cooled so they have insufficient time to arrange into a crystal lattice.  Study of the samples obtained by cooling at 298 K, 277 K, 253 K and 233 K showed no significant differences in the crystallisation mechanism with quenching temperature.

However, the tendency to crystallise increased with decreasing quench-cooling temperature.  Authors attribute this to the differences in molecular mobility and relaxation of the samples, especially the so-called Johari-Goldstein process of loratadine, involving motion of all atoms in the molecule. This finding will allow the preparation of  loratadine with a lower tendency to crystallise but which retains the beneficial properties of the amorphous form.   It will also inform studies of the amorphous form of other drug molecules.

For more details, read the full paper at:

Ruimiao Chang, Qiang Fu, Yong Li, Mingchan Wang, Wei Du, Chun Chang and Aiguo Zeng  

CrystEngComm, 2017, Advance Article
DOI: 10.1039/C6CE01645F, Paper
_______________________________________________________________________________

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 published a book, ‘Molecules, Medicines and Mischief’, in 2014, on some of the chemicals found in plants and is currently working on a follow-up.

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Major society chemistry publishers jointly commit to integration with ORCID

ORCID provides an identifier for individuals to use with their name as they engage in research, scholarship and innovation activities, ensuring authors gain full credit for their work.

Today, we signed their open letter, along with ACS Publications, committing to unambiguous identification of all authors that publish in our journals.

The official press release can be read here.

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25th Symposium on Organic Crystals

Congratulations to Mr Asato Mizuno the CrystEngComm presentation prize winner at the 25th Symposium on Organic Crystals which took place from the 18th – 19th September in Koyoto, Japan.

The symposium was organised by the Organic Crystals Division – Chemical Society of Japan. Mr Mizuno’s presentation was titled: ‘Structures and Physical Properties of 3D Crystals Formed by a Triangular π Radical’.

Poster prize winner

From left to right: Prof Rui Tamura, President of Organic Crystals Division – Chemical Society of Japan, Center: Mr Asato, Right: Hiromitsu Urakami

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Poster prize winners at the 66th Japan Society of Coordination Chemistry Symposium

Congratulations to the poster prize winners at the 66th Japan Society of Coordination Chemistry Symposium which took place from the 10th – 12th September in Fukuoka, Japan.  CrystEngComm and Dalton Transactions provided support in the form of poster prizes which were awarded to Takumi Hanaya (University of Tokyo) for his poster titled: ‘Synthesis and Photocatalysis of Mixed Valence Tin Oxide Clusters within Polyoxometalates’ and Takafumi Enomoto (Institute of Molecular Science) for his poster: ‘Near-infrared Light Induced Electron Transfer Reaction Using Distorted Phthalocyanine’.

The symposium is an opportunity for members to exchange ideas in order to contribute to advances in the field of coordination chemistry in Japan. The society is currently composed of 725 ordinary members, 23 Emeritus members, 267 student members, and 12 companies from legal entities. Further information can be found on the webpage.

JSCC 2016 winners

From left to right, front row: Dalton Transactions winner, Takafumi Enomoto and CrystEngComm award winner, Takumi Hanaya bottom right. Standing to the right of Takumi Hanaya is Professor Hiroshi Nishihara, president of the Japan Society of Coordination Chemistry (JSCC) and a member of the Dalton Transactions Advisory Board.

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Increasing pore size in metal-organic frameworks

Many potential applications of metal-organic frameworks (MOFs) rely on the size and nature of the available free volume or pores within the framework structure.  These include use for gas storage or capture and catalysis.   Tuning of the pores is typically achieved by variation of the metal ions or organic ligands.  Lengthening the organic chains can lead to increased pore size but is often limited by a decrease in stability of the framework. A new paper by Yan-Zhen Zheng and colleagues at Xi’an Jiaotong University and the University of Arizona reports a new method of structurally modifying MOFs by insertion of alkali metal ions.

In a series of experiments, a heterometallic MOF with O-containing ligands was modified by the insertion of alkali metal ions into the coordination environment formed by two bridged lanthanide centres.  Initially, 2D or 3D Cu-Pr MOFs were formed with bridging isonicotinate ligands, by reacting isonicotinic acid, CuI and Pr(NO3)3 in a range of organic solvents.  The reaction producing one of these MOFs, {[Pr3(Cu4I4)3(ina)9(DMF)4](DMF)}n (where ina is isonicotinato and DMF is N,N-dimethylformamide), was then repeated with the addition of NaCl, KCl, RbCl  or CsCl.

In the NaCl and KCl reactions, new MOFs were produced incorporating Na+ or K+ ions, with void volumes of 53% and 61%, respectively (compared with 10% for the alkali metal ion free MOF).

Reaction involving the next largest ion, Rb+, produced an unstable MOF which could not be studied further.  However, reaction with the larger Cs+ ion produced a new MOF which didn’t contain this ion, but with a void volume of 59%.

The authors suggest that their method of inducing structural variation using appropriately-sized alkali metal ions should be extendable to other ligand systems for the production of a variety of MOFs with novel structures and functions.

For more information, read the full paper at:
An alkali-ion insertion approach to structurally transform metal–organic frameworks
Yue-Qiao Hu, Mu-Qing Li, Teng Li, Yan-Yan Wang, Zhiping Zheng and Yan-Zhen Zheng
CrystEngComm, 2016, Advance Article
DOI: 10.1039/C6CE00540C
__________________________________________________________________________________________________

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 published a book, ‘Molecules, Medicines and Mischief’, in 2014, on some of the chemicals found in plants and is currently working on a follow-up.

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Top 10 Reviewers for CrystEngComm

In celebration of Peer Review Week, with the theme of Recognition for Review – we would like to highlight the top 10 reviewers for CrystEngComm in 2016, as selected by the editor for their significant contribution to the journal.

Dr Igor KasatkinSaint-Petersburg State University
Dr Goutam KoleNational University of Singapore
Professor Dino AquilanoUniversity of Torino
Dr Jack CleggUniversity of Queensland
Professor Huiging Fan, Northwestern Polytechnical University
Dr Joaquin CoronasUniversidad de Zaragoza
Dr Laszlo FabianUniversity of East Anglia
Dr Senthil Kumar PandianUniversity of Delhi
Dr Dongpeng YanBeijing University of Chemical Technology
Dr Jeremy KlostermanBowling Green State University

We would like to say a massive thank you to these reviewers as well as the CrystEngComm board and all of the crystal engineering community for their continued support of the journal, as authors, reviewers and readers.


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Crystal growth control via orientated aggregation.

A recent paper in CrystEngComm details a new synthetic method to create magnenite (iron oxide) nanoparticles (NPs), based on the orientated aggregation of particles using a calixarene macrocycle. The new method allows for control of the type of NPs produced and could potentially be applied to the growth of other nanomaterials.

Magnetite has promising biomedical applications due to its interesting magnetic and electrochemical properties and has been studied for drug delivery, biosensing and cancer treatment.  The NPs can reduce oxidative stress from electromagnetic radiation and raise temperature around the tumour cells in the presence of an applied magnetic field, killing cancer cells through localised heating. In contrast to traditional strategies of crystal growth, orientated aggregation is a mediated approach in which primary crystallites assemble into secondary crystals. The mediator can be other particles, specific molecules or an applied field. NPs grown this way often exhibit different morphologies and properties to the starting material.

Images of multicore (a,b) and octahedral (d,e) NPs

The authors postulated that the use of an organic molecule that complexes with iron could be used to induce aggregation and chose p-tert-butylcalix[8]arene,  calixarene molecules are used in host-guest chemistry to induce efficient and selective hosts.  A reaction mixture of the calixarene, iron(III) acetylacetonate and oleic acid was heated at 200°C for 2 hours, before being refluxed for one hour to promote crystal growth. The initial ratio of the reactants (0.5:1:2) produced multicore NPs with an average size of 40nm and primary crystallites of 7nm. Raising the iron:calixarene ratio to 1:1 resulted in a new morphology being produced, octahedral NPs were now produced exclusively with an average size of 50nm. An experiment without the calixarene produced different NPs again, this time much smaller (7nm) single core NPs. Further experiments varying the heating time and ratios resulted in defect octahedral NPs.

The colloidal and magnetic properties of the NPs were then measured with the multicore structures exhibiting excellent properties. The authors conclude that their synthesis method is easy to perform, reproducible and controllable.

For more information, read the full paper at:

Tuning morphology and magnetism of magnetite nanoparticles by calix[8]arene-induced oriented aggregation

Francesco Vita,  Helena Gavilán, Francesca Rossi, César de Julián Fernández, Andrea Secchi, Arturo Arduini, Franca Albertini and  M. Puerto Morales

CrystEngComm, 2016, Advance Article

DOI: 10.1039/C6CE01252C

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