Archive for the ‘Uncategorized’ Category

HOT articles for April

Nucleation and crystal growth of amorphous nilutamide – unusual low temperature behavior
Niraj S. Trasi and Lynne S. Taylor
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00118D

Graphical Abstract

Free to access until 15th May 2014


Tröger’s base quasiracemates and crystal packing tendencies
Jacob T. Cross, Nicholas A. Rossi, Mateusz Serafin and Kraig A. Wheeler
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00323C

Graphical Abstract

Free to access until 15th May 2014


When two symmetrically independent molecules must be different: “Crystallization-induced diastereomerization” of chiral pinanyl sulfone
Olga A. Lodochnikova, Valeriya A. Startseva, Liliya E. Nikitina, Andrei V. Bodrov, Alexander E. Klimovitskii, Evgenii N. Klimovitskii and Igor A. Litvinov
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42642D   

Graphical Abstract

Free to access until 15th May 2014


Pressure-induced isostructural phase transition of a metal–organic framework Co2(4,4′-bpy)3(NO3)4·xH2O
Mi Zhou, Kai Wang, Zhiwei Men, Chenglin Sun, Zhanlong Li, Bingbing Liu, Guangtian Zou and Bo Zou
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42607F

Graphical Abstract

Free to access until 15th May 2014

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Caffeine-fuelled fix for runaway eye treatment

Eye infection treatments that resist being blinked away could be formulated by cocrystallising an antibiotic with caffeine.

Cocrystallising sulfacetamide (left) with caffeine (right) makes it less soluble

Sulfacetamide (SACT) is often lost on blinking and in tears when applied as a treatment for conjunctivitis and other ocular ailments. This leads to the inconvenience and complications of applying larger and more frequent doses of SACT….’

Interested? Read the full article at Chemistry World.

Please click on the below title to access the original article.

Modulating the solubility of Sulfacetamide by means of cocrystals
Ashwini Nangia, Rajesh Goud and Ronaq Ali Khan  
CrystEngComm, 2014, Accepted Manuscript
DOI: 10.1039/C4CE00103F, Paper

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Top Ten most accessed CrystEngComm articles from October to December 2013

During October, November and December, the following articles were the Top Ten most accessed:

Layered organic–inorganic hybrid perovskites: structure, optical properties, film preparation, patterning and templating engineering
Ziyong Cheng and Jun Lin  
CrystEngComm, 2010, 12, 2646-2662
DOI: 10.1039/c001929a

Self-assembled structures of CuO primary crystals synthesized from Cu(CH3COO)2–NaOH aqueous systems
Xiaoxue Xu, Hong Yang and Yinong Liu  
CrystEngComm, 2012, 14, 5289-5298
DOI: 10.1039/c2ce25420d

Activation of metal–organic framework materials
Joseph E. Mondloch, Olga Karagiaridi, Omar K. Farha and Joseph T. Hupp  
CrystEngComm, 2013, 15, 9258-9264
DOI: 10.1039/c3ce41232f

Metal–organic frameworks (MOFs) based on mixed linker systems: structural diversities towards functional materials
Ritesh Haldar and Tapas Kumar Maji  
CrystEngComm, 2013, 15, 9276-9295
DOI: 10.1039/c3ce41438h

Surfactant-free CuO mesocrystals with controllable dimensions: green ordered-aggregation-driven synthesis, formation mechanism and their photochemical performances
Shaodong Sun, Xiaozhe Zhang, Jie Zhang, Liqun Wang, Xiaoping Song and Zhimao Yang  
CrystEngComm, 2013, 15, 867-877
DOI: 10.1039/c2ce26216a

Porous aromatic frameworks: Synthesis, structure and functions
Teng Ben and Shilun Qiu  
CrystEngComm, 2013, 15, 17-26
DOI: 10.1039/c2ce25409c

Synthesis of graphene–ZnO nanorod nanocomposites with improved photoactivity and anti-photocorrosion
Zhang Chen, Nan Zhang and Yi-Jun Xu  
CrystEngComm, 2013, 15, 3022-3030
DOI: 10.1039/c3ce27021a

Facile synthesis of core–shell–satellite Ag/C/Ag nanocomposites using carbon nanodots as reductant and their SERS properties
Yuan Zhang, Chaosheng Xing, Deli Jiang and Min Chen
CrystEngComm, 2013, 15, 6305-6310
DOI: 10.1039/c3ce40664d

Morphology control of ZnO with citrate: a time and concentration dependent mechanistic insight
Somnath Das, Kingshuk Dutta and Amitava Pramanik  
CrystEngComm, 2013, 15, 6349-6358
DOI: 10.1039/c3ce40822a

Structural design of coordination polymers
Miao Du, Rahul Banerjee and George K. H. Shimizu  
CrystEngComm, 2013, 15, 9237-9238
DOI: 10.1039/c3ce90156d

Please leave your comments or thoughts on any of these articles in the comment box below.

Do you have an article that you would like to submit to CrystEngComm? Why not submit to us here today?

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HOT articles for December

Connectivity enhancement of highly porous WO3 nanostructured thin films by in situ growth of K0.33WO3 nanowires
Julien Gaury, Ugo Lafont, Eugene Bychkov, Andreas Schmidt-Ott and George Biskos  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42078G

Graphical abstract

Free to access until 17th January 2014


Surface structure, morphology and (110) twin of aragonite
Francesco Roberto Massaro, Marco Bruno and Marco Rubbo
CrystEngComm, 2014,16, 627-635
DOI: 10.1039/C3CE41654B

Graphical abstract

Free to access until 17th January 2014


Determining hydrogen positions in crystal engineered organic molecular complexes by joint neutron powder and single crystal X-ray diffraction
Marc Schmidtmann, Paul Coster, Paul F. Henry, Valeska P. Ting, Mark T. Weller and Chick C. Wilson  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42070A

Graphical abstract

Free to access until 17th January 2014


How to Force a Classical Chelating Ligand to a Metal Non-Chelating Bridge: the Observation of a Rare Coordination Mode of Diethanolamine in the 1D Complex {[Cu2(Piv)4(H3tBuDea)](Piv)}n
Oksana V. Nesterova, Marina V. Kirillova, M. Fátima C. Guedes da Silva, Roman Boca and Armando J. L. Pombeiro  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE41657G

Graphical abstract

Free to access until 3rd January 2014


The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs
Wen-Huan Huang, Xin-Jun Luan, Xiang Zhou, Jun Chen, Yao-Yu Wang and Qi-Zhen Shi  
CrystEngComm, 2013,15, 10389-10398
DOI: 10.1039/C3CE41801D

Graphical abstract

 Free to access until 3rd January 2014


Determination of the nucleation mechanism and kinetics from the analysis of polythermal crystallisation data: methyl stearate from kerosene solutions
Diana M. Camacho Corzo, Antonia Borissova, Robert B. Hammond, Dimo Kashchiev, Kevin J. Roberts, Ken Lewtas and Iain More  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE41098F

Graphical abstract

Free to access until 3rd January 2014


Silver nanowires with rounded ends: ammonium carbonate-mediated polyol synthesis, shape evolution and growth mechanism
Shaohong Liu, Boming Sun, Ji-guang Li and Jialin Chen  
CrystEngComm, 2014,16, 244-251
DOI: 10.1039/C3CE41738G

Graphical abstract

Free to access until 3rd January 2014


Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory
Volker L. Deringer, Fangfang Pan, Janine George, Paul Müller, Richard Dronskowski and Ulli Englert  
CrystEngComm, 2014,16, 135-138
DOI: 10.1039/C3CE41779D

Graphical abstract

Free to access until 3rd January 2014


A Neutron Diffraction Study of Hydrogen Bonding in Isostructural Potassium and Ammonium Lanthanoidates
Adrian J. Emerson, Alison J. Edwards, Stuart R. Batten and David R. Turner  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42031K

Graphical abstract

Free to access until 3rd January 2014


High-Pressure Crystallographic and Spectroscopic Studies on Two Molecular Dithienylethene Switches
Christopher H. Woodall, Simon K. Brayshaw, Stefanie Schiffers, David R. Allan, Simon Parsons, Rafael Valiente and Paul R. Raithby
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE41933A

Graphical abstract

 Open access

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HOT articles for October

Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives
Anita M. Owczarzak, Seranthimata Samshuddin, Badiadka Narayana, Hemmige S. Yathirajan and Maciej Kubicki
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41639A

Free until 25 November 2013.


Morphological diversity of Mn(III) metalloporphyrin-based nano- and microsized CPAs assembled via kinetic and thermodynamic controls and their application in heterogeneous catalysis
Kyung Yeon Lee, Young Sun Lee, Sundol Kim, Hoang Mai Ha, Sang-Eun Bae, Seong Huh, Ho Gyeom Jang and Suk Joong Lee
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41072B

Free until 25 November 2013.


High-throughput fabrication of large-scale highly ordered ZnO nanorod arrays via three-beam interference lithography
Xiang Chen, Xiaoqin Yan, Zhiming Bai, Yanwei Shen, Zengze Wang, Xianzi Dong, Xuanming Duan and Yue Zhang
CrystEngComm, 2013,15, 8416-8421
DOI: 10.1039/C3CE41558A

Free until 25 November 2013.


Novel synthesis and luminescence properties of t-LaVO4:Eu3+ micro cube
Baiqi Shao, Qi Zhao, Ning Guo, Yongchao Jia, Wenzhen Lv, Mengmeng Jiao, Wei Lü and Hongpeng You
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41456F

Free until 25 November 2013.


An NMR crystallography DFT-D approach to analyse the role of intermolecular hydrogen bonding and π–π interactions in driving cocrystallisation of indomethacin and nicotinamide
Dmytro V. Dudenko, Jonathan R. Yates, Kenneth D. M. Harris and Steven P. Brown
CrystEngComm, 2013,15, 8797-8807
DOI: 10.1039/C3CE41240G

Free until 25 November 2013.


Substitution at the metal center of coordination polymers in single-crystal-to-single-crystal (SC-SC) transformation
Subhadip Neogi, Susan Sen and Parimal K. Bharadwaj
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41257A

Free until 25 November 2013.


A new synthetic approach to force bond formation between a transition metal complex and a thiostannate anion: solvothermal synthesis and crystal structure of [Co2(cyclam)2Sn2S6]·2H2O
Christoph Zeisler, Christian Näther and Wolfgang Bensch
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40976G

Free until 25 November 2013.


Structural assessment of anhydrous sulfates with high field 33S solid state NMR and first principles calculations
Peter J. Pallister, Igor L. Moudrakovski, Gary D. Enright and John A. Ripmeester
CrystEngComm, 2013,15, 8808-8822
DOI: 10.1039/C3CE41233D

Free until 25 November 2013.


Crystal structure tailoring of Au–Cu alloy NPs using the embedding film matrix as template
Sourav Pramanik, Manish Kr Mishra and Goutam De
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41342J

Free until 25 November 2013.


Chelation-driven fluorescence deactivation in three alkali earth metal MOFs containing 2,2′-dihydroxybiphenyl-4,4′-dicarboxylate
Damien Rankine, Tony D. Keene, Christopher J. Sumby and Christian J. Doonan
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41253A

Free until 25 November 2013.


Polymer guided synthesis of Ni(OH)2 with hierarchical structure and their application as the precursor for sensing materials
Guoxing Zhu, Yuanjun Liu, Chunyan Xi, Chunlin Bao, Huan Xu, Xiaoping Shen and Xiaolu Zhu
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41614C

Free until 25 November 2013.


Electrodeposited CoSn2 on nickel open-cell foam: advancing towards high power lithium ion and sodium ion batteries
José R. González, Francisco Nacimiento, Ricardo Alcántara, Gregorio F. Ortiz and José L. Tirado
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41368C

Free until 25 November 2013.


Activation of metal–organic framework materials
Joseph E. Mondloch, Olga Karagiaridi, Omar K. Farha and Joseph T. Hupp
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41232F

Free until 25 November 2013.


Infinite stacking of alternating polyfluoroaryl rings and bromide anions
Vickery L. Arcus, Daniel R. Bernstein, Cameron W. Crombie and Graham C. Saunders
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41582A

Free until 25 November 2013.


A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?
Elsa Alvarez, Alfonso Garcia Marquez, Thomas Devic, Nathalie Steunou, Christian Serre, Christian Bonhomme, Christel Gervais, Isabel Izquierdo-Barba, Maria Vallet-Regi, Danielle Laurencin, Francesco Mauri and Patricia Horcajada
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE41346B

Free until 25 November 2013.


Crystal engineering the clathrate hydrate lattice with NH4F
Kyuchul Shin, Igor L. Moudrakovski, Mehdi D. Davari, Saman Alavi, Christopher I. Ratcliffe and John A. Ripmeester
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE41661E

Free until 25 November 2013.

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Crystallising Plaster of Paris

It wasn’t so long ago when Plaster of Paris was used for plaster bandages when a patient broke their arm or leg. Nowadays, synthetic polymer materials tend to be used for such purposes but Plaster of Paris still finds wide use for building materials.

When Plaster of Paris (also known as bassanite or for those of us chemists not so familiar with this material, CaSO4.1/2H2O) is mixed with water, the less soluble compound, gypsum is formed (CaSO4.2H2O). This precipitates out of solution to produce interlocking, needle-like crystals. There have been many studies looking into this crystallisation reaction, however most real-life applications rely on crystallisation onto a solid support and as such, the studies to date are arguably not so industrially-relevant.

Now, in their latest CrystEngComm article, Stephen Mann and colleagues from the University of Bristol report on Plaster of Paris crystallisation onto inert films of cellulose. They found that the films can be made active by pre-treating them with a solution of Ca2+. Mann et al. say that such pre-treatment may have important implications for using Plaster of Paris materials in a wide range of industrial applications.

To read more about this work, download the article: 
Calcium sulfate hemihydrate-mediated crystallization of gypsum on Ca2+-activated cellulose thin films
Stephen Mann, Mei Li, Tomi Nissinen and Nelly Brielles
CrystEngComm, 2013

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September Crystal Clear: Crystal Flowers

High-magnification SEM image of flower-like ZnO prepared on ITO glass

This month’s crystal clear is a striking image of what looks like a crystal flower!

In fact this is a high-magnification SEM image of a ZnO microstructure prepared on indium-doped tin oxide (ITO) glass. Ping Yang and co-workers from the University of Jinan published their article in Issue 18 of CrystEngComm.

The team were investigating the growth mechanism of ZnO rods using an environmentally friendly synthesis at 70oC, by decreasing the concentration of NaOH they found they could transform the rods into these remarkable flower-like structures!
l
You can read the full details of the groups research, including how to create these impressive crystals, by downloading there article below, which is free to access for 4 weeks!
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Ruixia Shi, Ping Yang, Jianrong Wang, Aiyu Zhang, Yuanna Zhu, Yongqiang Cao and Qian Ma
CrystEngComm, 2012, 14, 5996-6003
DOI: 10.1039/C2CE25606A
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CrystEngComm Symposium: Pharmaceutical Polymorphism

CrystEngComm Symposium: Pharmaceutical Polymorphism
Many different aspects of polymorphism as it relates to pharmaceutical solids were discussed at the CrystEngComm Symposium: Pharmaceutical Poymorphism in The Chemistry Centre, Friday 4th November.
 
From modelling and control, through development and formulation to intellectual property aspects, all areas concerning the impact that polymorphism has on the development of pharmaceuticals were covered by the speakers. Dr Örn Almarsson (Alkermes Inc. USA) began the day with an overview of crystal polymorphism and pharmaceuticals, followed by Dr Graeme Day’s (University of Cambridge, UK) account of how computational methods are being developed to deal with complex molecular flexibility when predicting polymorphs and crystal structures. Professor Ivo Rietveld (Universite Paris Decartes, France) then closed the morning session with a review of using pressure-temperature diagrams to determine the stability hierarchy of a set of polymorphs.
 
Dr Ann Newman (Seventh Street Development Group, IN, USA) began the afternoon session with a discussion of the importance of solid form screening to drug development, while Dr Simon Black  (Astra Zeneca, UK) illustrated some of the issues around the discovery of a new polymorph with some interesting case studies.
 
Professor Jamshed Anwar (University of Bradford, UK) outlined the methodology for molecular simulation and its application to polymorph phase transitions, followed by Dr Z. Jane Li  (Boehringer Ingelheim, USA) who gave an overview of the impact that the necessary control of polymorph formation has on the development of pharmaceutical formulation.  Dr Avijit Kelkar (Dr Reddy’s Laboratories (UK) Limited, UK) then finished the Symposium by sharing his expertise in the area of patents and intellectual property.
 
Many thanks are due to CrystEngComm Editorial Board member, Dr Z. Jane Li, who provided the vision and concept behind the symposium, and without whom the event would not have been possible. Full details of the presentations (abstracts, biographies etc), take a look at the symposium programme which can be found on the symposium website.
 
CrystEngComm will publish a themed issue on ‘Crystal engineering and crystallography in the pharmaceutical industry’ in early 2012 with Guest Editors Dr Magali Hickey, Dr Örn Almarsson and Dr Matt Peterson. For more information, contact the Editorial Office.


 

 

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Highlight: MOFs go green

Acetylene is an important starting material in the petrochemical and electronic industry for various industrial and consumer products, and a promising alternative energy source for future acetylene fuel cell vehicles. With the importance of acetylene, as a green fuel, this CrystEngComm Highlight, focuses on the storage of acetylene and its separation from the CO2, CH4, or C2H4 mixtures on micro-porous metal–organic frameworks (MOFs).

Read more for FREE at:

Microporous metal–organic frameworks for acetylene storage and separation
Zhangjing Zhang, Shengchang Xiang and Banglin Chen
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05437F

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HOT article: Mixed crystals for SC-OFETs

In this HOT article, the solid-state interactions of dibenzophosphole chalcogenides and their potential application as electron transporting materials were investigated. The crystallographic properties of 9-phenyl-9-dibenzophosphole chalcogenides were compared with the mixed crystal structure and optical properties of 9-phenyl-9-dibenzophosphole sulphideselenide. The mixed crystal displayed desirable properties, i.e. carrier transport and emission properties, and this approach may be useful in the future for optoelectronic applications such as light-emitting SC-OFETs

More information on this topic is available FREE at:

Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal
Ryota Kabe, Vincent M. Lynch and Pavel Anzenbacher Jr.
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05388D

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