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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Improving the solubility of the drug furosemide

Furosemide is a loop diuretic (a ‘water pill’) used to treat congestive heart failure, oedema and sometimes hypertension.  It can also be used to reduce bleeding in horses during horseracing and is banned from use for this purpose in the UK. The bioavailability of the drug when taken orally is limited by the relatively low solubility. 

Formation of co-crystals with the co-formers caffeine or cytosine improves solubility (by 6 or 11 times) but the co-crystals suffer from low stability so are not suitable for pharmaceutical use.

A new paper takes a different approach, using salt formation as an alternative to co-crystal formation. Sodium and potassium salts of furosemide were prepared and their solubilities and stabilities assessed.  The solubility of the sodium salt (furo-Na-trihydrate) was over 4000 times higher than that of the free drug, while the potassium salt (furo-K-monohydrate) was over 10000 times more soluble.

Both salts show improved stability compared to the co-crystals – at 40 °C and 75% humidity furo-Na-trihydrate is stable for 2 weeks and furo-K-monohydrate is stable for 1 week.

Improving solubility of the drug furosemide

The authors conclude that the low cost of preparation and the enhanced solubility and stability of the salts merits their consideration for use in oral drug formulations.

For more information see the paper:

High solubility crystalline hydrates of Na and K furosemide salts
U. B. Rao Khandavilli, Swarupa Gangavaram, N. Rajesh Goud, Suryanarayan Cherukuvada, S. Raghavender, Ashwini Nangia, Sulur G. Manjunatha, Sudhir Nambiar and Sharmistha Pal
CrystEngComm, 2014, DOI: 10.1039/C3CE42347F

——————————————————————————————————————————————————————-

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. Currently, she is writing a book on chemicals from plants

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Caffeine-fuelled fix for runaway eye treatment

Written by Jenifer Mizen for Chemistry World

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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New Editor for CrystEngComm

Posted on behalf of Jamie Humphrey

I am delighted to announce the appointment of Sarah Ruthven as Editor for CrystEngComm.

Sarah joined the Royal Society of Chemistry in 2005 where she has been responsible for the successful development of journals such as Green Chemistry and Photochemical & Photobiological Sciences. In recent years, Sarah launched RSC Advances which has now become the largest journal published by the Royal Society of Chemistry!

Sarah will be supported by Deputy Editor, Fiona McKenzie and Development Editor, Guy Jones; in addition to Editorial Production Manager, Andrew Shore and his team of Publishing Editors. I strongly believe that with Sarah’s high enthusiasm and exceptional record of “getting things done”, CrystEngComm will thrive.

Some of you may be wondering what I will be doing as I am no longer CrystEngComm Editor. I recently accepted a position as Publisher here at the Royal Society of Chemistry, with the overall responsibility for about a third of our journals, including CrystEngComm.  My move from Editor to Publisher is with mixed feelings. I am very excited about my new role however I will very much miss the day-to-day involvement with the journal and crystal engineering community.  My time as CrystEngComm Editor has been immensely enjoyable, and I owe you all a great deal of thanks for making it so and for all your support for the journal. Thank you!

 With thanks

 Jamie

Sarah Ruthven Sarah Ruthven Jamie HumphreyJamie Humphrey

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HOT articles for March

These articles are HOT as recommended by the referees. And we’ve made them free to access for the next 4 weeks!

From discovery to scale-up: α-lipoic acid:nicotinamide co-crystals in a continuous oscillatory baffled crystalliser
Lihua Zhao, Vishal Raval, Naomi E. B. Briggs, Rajni M. Bhardwaj, Thomas McGlone, Iain D. H. Oswald and Alastair J. Florence
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00154K

Graphical Abstract

Free to access until 8th May 2014


Pharmaceutical co-crystals – are we there yet?
N. Blagden, S. J. Coles and D. J. Berry
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00127C

Graphical Abstract

Free to access until 8th May 2014


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 8th 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 8th May 2014


Three metal–organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties
Kang Liu, Yu Peng, Fen Yang, Dingxuan Ma, Guanghua Li, Zhan Shi and Shouhua Feng  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00105B

Graphical abstract

Free to access until 16th April 2014


Unconventional upright layer orientation and considerable enhancement of proton–electron conductivity in Dion–Jacobson perovskite thin films
Tomohiko Nakajima, Kiyoshi Kobayashi, Kentaro Shinoda and Tetsuo Tsuchiya  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42418A

Graphical abstract

Free to access until 16th April 2014

 


The role of a liquid in “dry” co-grinding: a case study of the effect of water on mechanochemical synthesis in a “L-serine–oxalic acid” system
Evgeniy A. Losev and Elena V. Boldyreva  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42321B

Graphical abstract

Free to access until 11th April 2014


Achieving single domain relaxor-PT crystals by high temperature poling
Fei Li, Linghang Wang, Li Jin, Zhuo Xu and Shujun Zhang  
CrystEngComm, 2014,16, 2892-2897
DOI: 10.1039/C3CE42330A

Graphical abstract

Free to access until 11th April 2014


Synthesis, characterization and selective hysteretic sorption property of metal–organic frameworks with 3,5-di(pyridine-4-yl)benzoate
Pei-Pei Cui, Yue Zhao, Gao-Chao Lv, Qing Liu, Xiao-Liang Zhao, Yi Lu and Wei-Yin Sun  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42260G 

Graphical abstract

Free to access until 4th April 2014


Investigation of the effect of liquid–liquid phase separation (LLPS) on nucleation and different growth stages of vanillin and bulk growth of defect-free single crystals from aqueous solution – a new approach
P. Parimaladevi, C. Kavitha and K. Srinivasan  
CrystEngComm, 2014,16, 2565-2569
DOI: 10.1039/C3CE42416B 

Graphical abstract

Free to access until 4th April 2014


Synthesis and luminescence of uniform europium-doped bismuth fluoride and bismuth oxyfluoride particles with different morphologies
Alberto Escudero, Elisa Moretti and Manuel Ocaña  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42462F

Graphical abstract

Free to access until 4th April 2014


Metal–organic calixarene capsules: the evolution of controlled assembly
Piotr P. Cholewa and Scott J. Dalgarno  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42169D

Graphical abstract

 

Free to access until 4th April 2014


Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs
Campbell J. Coghlan, Christopher J. Sumby and Christian J. Doonan
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00181H

 

Graphical Abstract

Free to access until 28th April 2014


Polymorphism in cocrystals: a review and assessment of its significance
Srinivasulu Aitipamula, Pui Shan Chow and   Reginald B. H. Tan
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42008F

Graphical Abstract

Free to access until 28th April 2014

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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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Organic waveguide materials made from caffeine

Posted on behalf of Josh Campbell, web writer for CrystEngComm 

Researchers in the field of nanophotonics aim to control photons or optical energies at the nanometre scale by using devices; typically 1D nanomaterials such as nanotubes or nanowires. Due to the nanoscopic nature of such materials, the quantum confinement effect allows fascinating properties to emerge which can be harnessed to produce ultra-fast, low-power and interference-free devices.

An integral part of any nanophotonic device is the waveguide, a physical structure that guides the photons to their target location. Waveguides can be active, guiding photons via coupling mechanisms, or passive, propagating the source light directly through the material.

Of all the classes of waveguide materials, inorganic devices are the most common, however recent research into waveguides made from small molecule organics is gaining traction. The advantages of these organic devices over existing inorganic materials are that they are easier to produce and have tuneable properties arising from greater variations in molecular structure.

For the emerging field of biophotonics, biocompatibility is a key requirement, with non-toxic pharmaceutical molecules being a logical fit for the role but not having been well explored.

Organic molecules tested as waveguides

In a recent article in CrystEngComm, researchers from the Rajadurai and Chandrasekar groups evaluated three pharmaceutical molecules as biophotonic devices: caffeine, carbamazepine and gilbenclamide, with nanoscale samples of each molecule grown via drop-casting on a clean glass slide.

The researchers found that crystal growth was governed by kinetic factors which often left the sample with defects which are compounded by defects created by the source of radiation used to examine the structures. To overcome this, the authors used a novel method of Raman laser light confinement to characterise the compounds.

All three molecules exhibited tubular morphologies which, in the case of carbamazepine, measured hundreds of microns in length. Passive waveguiding was observed via 2D optical confinement in all samples and no unnatural defects were observed when the samples were subjected to Raman spectroscopy.

The potential of these materials to act as biocompatible optical waveguides will hopefully bring the first biophotonic nano-devices significantly closer to realisation.

Read the full article now for more details: 

Passive optical waveguiding tubular pharmaceutical solids and Raman spectroscopy/mapping of nano-/micro-scale defects
Naisa Chandrasekhar, E. Ramanjaneya Reddy, Muvva D. Prasad, Marina S. Rajadurai and   Rajadurai Chandrasekar 
CrystEngComm, 2014, DOI: 10.1039/C4CE00084F


Josh Campbell Josh Campbell is a PhD student, currently at the University of Southampton, UK studying crystal structure prediction of organic semiconductors. He received his BSc from the University of Bradford.
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HOT articles for February

These articles are HOT as recommended by the referees. And we’ve made them free to access for the next 4 weeks!

Geometric switching of linear to area negative thermal expansion in uniaxial metal–organic frameworks
Ines E. Collings, Matthew G. Tucker, David A. Keen and Andrew L. Goodwin  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42165A

Graphical abstract

Free to access until 20th March 2014


A Mn(II) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties
Carol Hua and Deanna M. D’Alessandro  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42603C

Graphical abstract

Free to access until 20th March 2014


Chao-Hsien Wu, Shuei-Yuan Chen and Pouyan Shen
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42184H

C–H doped anatase nanospheres with disordered shell and planar defects synthesized by pulsed laser ablation of bulk Ti in tetraethyl orthosilicate

Graphical abstract

 

Free to access until 7th March 2014


Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies
Partha Pratim Bag, Raghuram Reddy Kothur and C. Malla Reddy  
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42159G

Graphical abstract

 

Free to access until 7th March 2014

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pH controlled formation of doped YOF luminescent particles

Nanometer- or micrometer-sized particles, doped with a small quantity of rare-earth cations, exhibit two types of luminescence. Where the light absorbed is of higher energy than the light emitted (known as down-conversion or DC) the materials can be used in lighting and displays.  If the light absorbed is of lower energy than the light emitted (up-conversion or UC), the materials can be used in photonics and biological imaging.  The luminescence behaviour depends on the composition, size and shape of the particles and the rare-earth ion (or ions) used for doping.

Lanthanide oxyfluorides, such as YOF, are attractive candidates for the host particles, due to their high stability and good transparency.  These materials have been prepared with various particle sizes but using harsh conditions and complicated processes which can, crucially, leave behind traces of the organic molecules used to control morphology.  These can be detrimental to the physical and chemical properties of the final product.

A new paper shows how a simple hydrothermal method can be used to prepare YOF particles with controllable size and shape, determined by altering the pH of the reaction mixture and without the need for organic shape-directing reagents.   At pH 9 microrods form, while at pH 11 the particles form as nanospheres and at pH 14 there is a mixture of the two morphologies.  The UV luminescence properties of samples doped with the rare-earth cations Tm3+, Tb3+ or Eu3+show characteristic blue, green or red DC emissions. Samples doped with two different rare earth cations, under lower energy excitation,  show red, blue and green UC emissions for Yb3+/Er3+, Yb3+/Tm3+ and Yb3+/Ho3+ doped particles, respectively (see diagram below).

Rare-earth doped ytteriumoxyfluoride

The emission intensities are related to the particle size and the number of surface defects (which lead to quenching of the luminescence).  Intensities are therefore highest for the microrods which are largest and have fewest defects.  Authors conclude that the YOF particles prepared are excellent host lattices for efficient luminescence which could find application in colour displays and anti-counterfeit labels.

For more details see the paper at:

YOF nano/micro-crystals: morphology controlled hydrothermal synthesis and luminescence properties

Yang Zhang, Xuejiao Li, Dongling Geng, Mengmeng Shang, Hongzhou Lian, Ziyong Cheng and Jun Lin

CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42323A, 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. Currently, she is writing a book on chemicals from plants

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Lateral homoepitaxial growth of graphene

Posted on behalf of Josh Campbell, web writer for CrystEngComm 

Graphene is a material composed of single of 2D sheets of graphite which showcases a number of exotic properties. These include: ballistic transport of charge, which occurs partially due to the material having a lower resistivity than that of silver; an anomalous quantum Hall effect and spin transport. Single crystals of graphene can be grown using chemical vapour deposition (CVD) on a variety of substrates although the material is perhaps more famously known for being prepared from graphite using adhesive tape in a process called exfoliation. These different methods of preparation influence the final properties of the material; with CVD-produced samples often having lower mobilities than exfoliated samples, which are smaller. Epitaxy, the process of growing one crystalline material on another with recognition of some form between the layers, is another viable method of graphene synthesis, with heteroepitaxal growth having been investigated for a variety of different substrates. In this vein, it has been postulated that growing “graphene-on-graphene” could offer methods for both investigating the mechanism of graphene growth and producing large single crystal samples. 

Epitaxial Growth 

A recent article in CrystEngComm reports how homoepitaxal growth can proceed from both exfoliated and CVD grown samples of graphene. In the study, an exfoliated or CVD-grown seed was placed onto a copper foil surface and heated to 1025 °C in the presence of H2 and CH4. By investigating the atomic structure around the newly grown graphene, the authors showed that the crystal orientation was preserved from the original graphite flake and the graphene sheet, with graphene layers 1-2 sheets thick being made regardless of the method used. The authors subsequently used the result to grow large films of graphene epitaxally. A close examination of the atomic structures of both the seed and the newly grown graphene showed that the original crystal orientation was preserved during growth. It is hoped that this new method of homoepitaxal graphene growth will allow for much larger and higher-quality samples of crystalline material to be grown in the future. 

Read the full article now for more details: 

Lateral homoepitaxial growth of graphene
H. Wang, G. Wang, P. Bao, Z. Shao, X. Zhang, S. Yang, W. Zhu and   B. Deng
CrystEngComm, 2014, DOI: 10.1039/C3CE42072H


Josh Campbell Josh Campbell is a PhD student, currently at the University of Southampton, UK studying crystal structure prediction of organic semiconductors. He received his BSc from the University of Bradford.
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