Archive for the ‘CrystEngSelects’ Category

This month’s CrystEngSelects

Here is this month’s selection of Advance Articles and Accepted Manuscripts of interest to crystal engineers across RSC Journals

Articles are chosen from:
ChemComm,
Chemical Science,
CrystEngComm,
Dalton Transactions,
Journal of Materials Chemistry,
Nanoscale,
New Journal of Chemistry,
RSC Advances.

Click here to expand the full list

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This month’s CrystEngSelects

Here is this month’s selection of Advance Articles and Accepted Manuscripts of interest to crystal engineers across RSC Journals

Articles are chosen from:
ChemComm,
Chemical Science,
CrystEngComm,
Dalton Transactions,
Journal of Materials Chemistry,
Nanoscale,
New Journal of Chemistry,
RSC Advances.

 Click here to expand the full list

Click here to expand the full list

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This months CrystEngSelects

Here is this month’s selection of Advance Articles and Accepted Manuscripts of interest to crystal engineers across RSC Journals

Articles are chosen from:
ChemComm,
Chemical Science,
CrystEngComm,
Dalton Transactions,
Journal of Materials Chemistry,
Nanoscale,
New Journal of Chemistry,
RSC Advances.

CLick here to expand the full list

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This months CrystEngSelects

Here is this month’s selection of advanced articles and accepted manuscripts of interest to crystal engineers from across the RSC journals

CrystEngSelectsArticles are chosen from:
ChemComm,
Chemical Science,
CrystEngComm,
Dalton Transactions,
Journal of Materials Chemistry,
Nanoscale,
New Journal of Chemistry,
RSC Advances.

Click here to expand the article list

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This weeks CrystEngSelects

Here is this week’s selection of advanced articles and accepted manuscripts of interest to crystal engineers from across the RSC journals

Articles are chosen from:
ChemComm,
Chemical Science,
CrystEngComm,
Dalton Transactions,
Journal of Materials Chemistry,
Nanoscale,
New Journal of Chemistry,
RSC Advances.

A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure
Andrew Stephenson and Michael D. Ward
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC30197K, Communication

An asymmetric oligomer based on thienoacene for solution processed crystal organic thin-film transistors
Hongkun Tian, Yang Han, Cheng Bao, Donghang Yan, Yanhou Geng and Fosong Wang
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC30407D, Communication

Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions
Noriko Fujimoto, Mio Matsumura, Isao Azumaya, Shizuka Nishiyama, Hyuma Masu, Hiroyuki Kagechika and Aya Tanatani
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC18177K, Communication

Highly Branched Pt-Ni Nanocrystals Enclosed by Stepped Surface
Zhiqiang Niu, Dingsheng Wang, Rong Yu, Qing Peng and Yadong Li
Chem. Sci., 2012, Accepted Manuscript
DOI: 10.1039/C2SC00004K, Edge Article

Kinetics and mechanism of metal–organic framework thin film growth: systematic investigation of HKUST-1 deposition on QCM electrodes
Vitalie Stavila, Joanne Volponi, Aaron M. Katzenmeyer, Matthew C. Dixon and Mark D. Allendorf
Chem. Sci., 2012, Advance Article
DOI: 10.1039/C2SC20065A, Edge Article

Morphology, wettability, and photomicropatterning of superhydrophobic surface with high adhesive force by crystal growth of a photochromic diarylethene
Daichi Kitagawa and Seiya Kobatake
Chem. Sci., 2012, Accepted Manuscript
DOI: 10.1039/C2SC20051A, Edge Article

Recent advances in porphyrinic metal–organic frameworks: materials design, synthetic strategies, and emerging applications
Brandon J. Burnett, Paul M. Barron and Wonyoung Choe
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06692K

Facile solvothermal synthesis and growth mechanism of flower-like PbTe dendrites assisted by cyclodextrin
Rencheng Jin, Gang Chen, Jian Pei, Chunshuang Yan, Xian Zou, Mingda Deng and Shuai Sun
CrystEngComm, 2012, 14, 2327-2332
DOI: 10.1039/C2CE06417K

Coordination polymers, metal–organic frameworks and the need for terminology guidelines
Stuart R. Batten, Neil R. Champness, Xiao-Ming Chen, Javier Garcia-Martinez, Susumu Kitagawa, Lars Öhrström, Michael O’Keeffe, Myunghyun Paik Suh and Jan Reedijk
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06488J

Progress in lead-based ferroelectric and antiferroelectric single crystals: composition modification, crystal growth and properties
Nengneng Luo, Yuanyuan Li, Zhiguo Xia and Qiang Li
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06430H, Highlight

Lanthanide–tungstobismuthate clusters based on [BiW9O33]9− building units: synthesis, crystal structures, luminescent and magnetic properties
Keyu Cui, Fengyan Li, Lin Xu, Bingbing Xu, Ning Jiang, Yuchao Wang and Jianping Zhang
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C2DT11478J, Paper

Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni(12aneS4)(BF4)2
Andrew J. Churchard, Mariana Derzsi, Zvonko Jagličić, Arndt Remhof and Wojciech Grochala
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C2DT12468H, Paper

Highly crystalline strontium ferrites SrFeO3−δ: an easy and effective wet-chemistry synthesis
S. Diodati, L. Nodari, M. M. Natile, U. Russo, E. Tondello, L. Lutterotti and S. Gross
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C2DT11916A, Paper

Growth of Zeolitic Imidazolate Framework-8 Crystals from the Solid-liquid Interface
Minqi Zhu, Jacek B Jasinski and MOISES A Carreon
J. Mater. Chem., 2012, Accepted Manuscript
DOI: 10.1039/C2JM30718A, Communication

Self-assembly of ZnO nanocrystals into nanoporous pyramids: high selective adsorption and photocatalytic activity Yunxin Liu, Jianxin Shi, Qing Peng and Yadong Li
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM16729H, Communication

Organotemplate-free and one-pot fabrication of nano-rod assembled plate-like micro-sized mordenite crystals
Limin Ren, Qiang Guo, Haiyan Zhang, Longfeng Zhu, Chengguang Yang, Liang Wang, Xiangju Meng, Zhaochi Feng, Can Li and Feng-Shou Xiao
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM30478C, Communication

Infrared colloidal lead chalcogenide nanocrystals: Synthesis, properties, and photovoltaic applications
Huiying Fu and Sai-Wing Tsang
Nanoscale, 2012, Advance Article
DOI: 10.1039/C2NR11836J, Review

Electrical and Thermal Properties of a Carbon Nanotube/Polycrystalline BiFeO3/Pt Photovoltaic Heterojunction with CdSe Quantum Dots Sensitization
Yongyuan Zang, Dan Xie, Yu Chen, Tian-Ling Ren, Hongwei Zhu and David Plant
Nanoscale, 2012, Accepted Manuscript
DOI: 10.1039/C2NR30084B, Paper

Photo-to-current response of Bi2Fe4O9 nanocrystals synthesized through a chemical co-precipitation process
Yongping Li, Yongcheng Zhang, Wanneng Ye, Jianqiang Yu, Chaojing Lu and Linhua Xia
New J. Chem., 2012, Advance Article
DOI: 10.1039/C2NJ40039A, Letter

Photonic crystal pH and metal cation sensors based on poly(vinyl alcohol) hydrogel
Hongliang Jiang, Yihua Zhu, Cheng Chen, Jianhua Shen, Hua Bao, Liming Peng, Xiaoling Yang and Chunzhong Li
New J. Chem., 2012, Advance Article
DOI: 10.1039/C2NJ20989F, Paper

Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution
Kai Chen, Ying-Feng Hu, Xin Xiao, Sai-Feng Xue, Zhu Tao, Yun-Qian Zhang, Qian-Jiang Zhu and Jing-Xin Liu
RSC Adv., 2012, Advance Article
DOI: 10.1039/C2RA01132H, Communication

H2Ti6O13, a new protonated titanate prepared by Li+/H+ ion exchange: synthesis, crystal structure and electrochemical Li insertion properties
J. C. Pérez-Flores, C. Baehtz, M. Hoelzel, A. Kuhn and F. García-Alvarado
RSC Adv., 2012, Advance Article
DOI: 10.1039/C2RA01134D, Paper

Synthesis of highly crystalline In2Ge2O7(En) hybrid sub-nanowires with ultraviolet photoluminescence emissions and their selective photocatalytic reduction of CO2 into renewable fuel
Qi Liu, Yong Zhou, Yue Ma and Zhigang Zou
RSC Adv., 2012, Advance Article
DOI: 10.1039/C2RA20186K, Communication

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This weeks CrystEngSelects

Here is this week’s selection of advanced articles of interest to crystal engineers from across the RSC journals

                                                         Articles are chosen from:
        ChemComm,
        Chemical Science,
        CrystEngComm,
        Dalton Transactions,
        Journal of Materials Chemistry,
        Nanoscale
        New Journal of Chemistry,
        RSC Advances.

Guest-induced crystal-to-crystal expansion and contraction of a 3-D porous coordination polymer
Witold M. Bloch and Christopher J. Sumby
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC17440E, Communication

Occurrence of spontaneous resolution of ketoprofen with a racemic crystal structure by simple crystallization under nonequilibrium preferential enrichment conditions
Rajesh G Gonnade, Sekai Iwama, Ryusuke Sugiwake, K Manoj, Hiroki Takahashi, Hirohito Tsue and Rui Tamura
Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2CC18132K, Communication

Solvent-induced single-crystal to single-crystal transformation of a 2D coordination network to a 3D metal-organic framework greatly enhances porosity and hydrogen uptake
Wenbin Lin, Liang Wen and Peng Cheng
Chem. Commun., 2012, Accepted Manuscript
DOI: 10.1039/C2CC17298D, Communication

Breathing Molecular Crystals: Halogen and Hydrogen Bonded Porous Molecular Crystals with Solvent Induced Adaptation of the Nano-sized Channels
Kari Raatikainen and Kari Rissanen
Chem. Sci., 2012, Accepted Manuscript
DOI: 10.1039/C2SC00997H, Edge Article

Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides
Piyush Panini and Deepak Chopra
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06254B

Homochiral lanthanoid(III) mesoxalate metal–organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties
Beatriz Gil-Hernández, Jana K. Maclaren, Henning A. Höppe, Jorge Pasán, Joaquín Sanchiz and Christoph Janiak
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06496K

Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids
Alaina M. Moragues-Bartolome, William Jones and Aurora J. Cruz-Cabeza
CrystEngComm, 2012
DOI: 10.1039/C2CE06241K

Enhanced formation of PbSe nanorods via combined solution–liquid–solid growth and oriented attachment
Min-Seok Kim and Yun-Mo Sung
CrystEngComm, 2012, DOI: 10.1039/C2CE06353K

A family of 2D and 3D coordination polymers involving a trigonal tritopic linker
Ines Maria Hauptvogel, Volodymyr Bon, Ronny Grünker, Igor A. Baburin, Irena Senkovska, Uwe Mueller and Stefan Kaskel
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C2DT12072K, Paper

Nanocrystalline CaYAlO4:Tb3+/Eu3+ as promising phosphors for full-color field emission displays
Dongling Geng, Guogang Li, Mengmeng Shang, Chong Peng, Yang Zhang, Ziyong Cheng and Jun Lin
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C2DT12222G, Paper

Effect of ZnS and CdS coating on the photovoltaic properties of CuInS2-sensitized photoelectrodes
Guoping Xu, Shulin Ji, Chunhui Miao, Guodong Liu and Changhui Ye
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM15908B, Paper

A new building block, bis(thiophene vinyl)-pyrimidine, for constructing excellent two-photon absorption materials: synthesis, crystal structure and properties
Dugang Chen, Cheng Zhong, Xiaohu Dong, Zhihong Liu and Jingui Qin
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM14766A, Paper

Large area, soft crystalline thin films of N,N′,N′′-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice
Thomas Just Sørensen, Christoffer B. Hildebrandt, Jonas Elm, Jens W. Andreasen, Anders Ø. Madsen, Fredrik Westerlund and Bo W. Laursen
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM15954F, Paper

Magnetic spherical cores partly coated with periodic mesoporous organosilica single crystals
Jing Li, Yong Wei, Wei Li, Yonghui Deng and Dongyuan Zhao
Nanoscale, 2012, Advance Article
DOI: 10.1039/C2NR11941B, Paper

A highly stable, efficient visible-light driven water photoelectrolysis system using a nanocrystalline WO3 photoanode and a methane sulfonic acid electrolyte
Renata Solarska, Rafał Jurczakowski and Jan Augustynski
Nanoscale, 2012, Advance Article
DOI: 10.1039/C2NR11573E, Communication

Seeded growth induced amorphous to crystalline transformation of niobium oxide nanostructures
Subhra Jana and Robert M. Rioux
Nanoscale, 2012, Advance Article
DOI: 10.1039/C2NR11803C, Paper

Sonochemistry synthesis and enhanced photocatalytic H2-production activity of nanocrystals embedded in CdS/ZnS/In2S3 microspheres
Zaoyu Shen, Gang Chen, Qun Wang, Yaoguang Yu, Chao Zhou and Yu Wang
Nanoscale, 2012, Accepted Manuscript
DOI: 10.1039/C2NR12045C, Paper

Synthesis and thermal behavior of chiral dimers: occurrence of highly frustrated and cholesteric liquid crystal phases
G. Shanker and C. V. Yelamaggad
New J. Chem., 2012, Advance Article
DOI: 10.1039/C2NJ21035E, Paper

Cation binding resorcinarene bis-crowns: the effect of lower rim alkyl chain length on crystal packing and solid lipid nanoparticles
Kaisa Helttunen, Kirsi Salorinne, Tahnie Barboza, Hélène Campos Barbosa, Aku Suhonen and Maija Nissinen
New J. Chem., 2012, Advance Article
DOI: 10.1039/C2NJ20981K, Paper

Improved Electrochemical Performances of Nanocrystalline Li[Li0.2Mn0.54Ni0.13Co0.13]O2 Cathode Material for Li-ion Batteries
Yuliang Cao
RSC Adv., 2012, Accepted Manuscript
DOI: 10.1039/C2RA20122D, Paper

Synthesis of CaCO3/graphene composite crystals for ultra-strong structural materials
Xiluan Wang, Hua Bai, Yuying Jia, Linjie Zhi, Liangti Qu, Yuxi Xu, Chun Li and Gaoquan Shi
RSC Adv., 2012, Advance Article
DOI: 10.1039/C2RA00765G, Paper

Tailoring cobalt doped zinc oxide nanocrystals with high capacitance activity: factors affecting structure and surface morphology
Marauo Davis, Cenk Gümeci, Bria Black, Carol Korzeniewski and Louisa Hope-Weeks
RSC Adv., 2012, Advance Article
DOI: 10.1039/C2RA00793B, Paper

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Building with Bucky-Blocks

Building with Bucky-Blocks2D and 3D coordination networks with fullerene guests are promising candidates for superconducting materials, with potential applications in gas and information storage.

Edwin Constable and colleagues at the University of Basel, Switzerland have reported the intercalation of a fullerene molecule into a network containing octahedral nickel nodes. Using a layering technique, crystals of 1,2-dichlorobenzene and fullerene templated nickel coordination networks were grown and characterised by IR spectroscopy and single crystal X-ray diffraction. The encapsulation of fullerene results in the assembly of [3 + 3] macrocycles, connected into 2-dimensional sheets through the nickel nodes and fullerene-free [6 + 6] macrocycles.

Read the full paper to find out more, and to see the pretty structures!


Bucky-blocks: templating a coordination network with C60
Edwin C. Constable, Guoqi Zhang, Catherine E. Housecroft and Jennifer A. Zampese
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06156B

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This week’s CrystEngSelects

Here is this week’s selection of advanced articles of interest to crystal engineers from across the RSC journals

  Articles are chosen from:
ChemComm,
CrystEngComm,
Dalton Transactions,
Journal of Materials Chemistry,
New Journal of Chemistry,
Nanoscale,
Chemical Science.

Fluorene-based Cu(II)-MOF: a visual colorimetric anion sensor and separator based on an anion-exchange approach
Jian-Ping Ma, Yang Yu and Yu-Bin Dong
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC16800F, Communication

Six-rayed star-like nanostructures in prospective plasmonic devices
Takumi Miyamoto, Shiomi Saito, Toshihiro Isobe, Akira Nakajima and Sachiko Matsushita
Chem. Commun., 2012, Advance Article
DOI: 10.1039/C2CC16353E, Communication

Bucky-blocks: templating a coordination network with C60
Edwin C. Constable, Guoqi Zhang, Catherine E. Housecroft and Jennifer A. Zampese
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06156B, Paper

Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs
David R. Weyna, Miranda L. Cheney, Ning Shan, Mazen Hanna, Łukasz Wojtas and Michael J. Zaworotko
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06574F, Communication

Discovery, development, and functionalization of Zr(IV)-based metal–organic frameworks
Min Kim and Seth M. Cohen
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06491J, Highlight

Step kinetics on monosodium urate monohydrate single crystal surfaces: an in situ AFM study
Clare M. Perrin and Jennifer A. Swift
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE05985A, Paper

New photoluminescence acylhydrazidate-coordinated complexes
Juan Jin, Fu-Quan Bai, Ming-Jun Jia, Yu Peng, Jie-Hui Yu and Ji-Qing Xu
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C1DT11846C, Paper

Zinc and cadmium 2-pyrazinephosphonates: Syntheses, structures and luminescent properties
Yun-Sheng Ma, Xiao-Yan Tang, Wen-Yu Yin, Bin Wu, Feng-Feng Xue, Rong-Xin Yuan and Soumyajit Roy
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C1DT11250C, Paper

Crystal structure of novel compounds in the systems Zr–Cu–Al, Mo–Pd–Al and partial phase equilibria in the Mo–Pd–Al system
Atta U. Khan, P. Rogl and G. Giester
Dalton Trans., 2012, Advance Article
DOI: 10.1039/C1DT11972A, Paper

Plastic crystal phases with high proton conductivity
Usman Ali Rana, R. Vijayaraghavan, Douglas R. MacFarlane and Maria Forsyth
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM15288F, Paper

Change in the magnetostructural properties of rare earth doped cobalt ferrites relative to the magnetic anisotropy
S. R. Naik and A. V. Salker
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C2JM15228B, Paper

Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte
Henan Li, Tom Baikie, Stevin S. Pramana, J. Felix Shin, Peter R. Slater, Frank Brink, James Hester, Kia Wallwork and Tim J. White
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C1JM13752B, Paper

A new congruent-melting oxyborate, Pb4O(BO3)2 with optimally aligned BO3 triangles adopting layered-type arrangement
Hongwei Yu, Shilie Pan, Hongping Wu, Wenwu Zhao, Fangfang Zhang, Hongyi Li and Zhihua Yang
J. Mater. Chem., 2012, Advance Article
DOI: 10.1039/C1JM14590H, Paper

Piezofluorochromism and morphology of a new aggregation-induced emission compound derived from tetraphenylethylene and carbazole
Xie Zhou, Haiyin Li, Zhenguo Chi, Xiqi Zhang, Jianyong Zhang, Bingjia Xu, Yi Zhang, Siwei Liu and Jiarui Xu
New J. Chem., 2012, Advance Article
DOI: 10.1039/C1NJ20782B, Paper

New-phase VO2 micro/nanostructures: investigation of phase transformation and magnetic property
Liang Liu, Feng Cao, Tao Yao, Yang Xu, Min Zhou, Bingyan Qu, Bicai Pan, Changzheng Wu, Shiqiang Wei and Yi Xie
New J. Chem., 2012, Advance Article
DOI: 10.1039/C1NJ20798A, Paper

Growth and branching of gold nanoparticles through mesoporous silica thin films
Paula C. Angelomé, Isabel Pastoriza-Santos, Jorge Pérez-Juste, Benito Rodríguez-González, Andrés Zelcer, Galo J. A. A. Soler-Illia and Luis M. Liz-Marzán
Nanoscale, 2012, Advance Article
DOI: 10.1039/C2NR11547F, Paper

Synthesis of bimetallic Pt-Pd core-shell nanocrystals and their high electrocatalytic activity modulated by Pd shell thickness
Yujing Li, Zhi Wei Wang, Chin-Yi Chiu, Lingyan Ruan, Wenbing Yang, Yang Yang, Richard E. Palmer and Yu Huang
Nanoscale, 2012, Advance Article
DOI: 10.1039/C1NR11374G, Paper
Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic–organic hybrid materials producing gold nanoparticles and catalytic properties
Dong-Ying Du, Jun-Sheng Qin, Ting-Ting Wang, Shun-Li Li, Zhong-Min Su, Kui-Zhan Shao, Ya-Qian Lan, Xin-Long Wang and En-Bo Wang
Chem. Sci., 2012, Advance Article
DOI: 10.1039/C2SC00586G, Edge Article

Changing and challenging times for service crystallography
Simon J. Coles and Philip A. Gale
Chem. Sci., 2012, Advance Article
DOI: 10.1039/C2SC00955B, Minireview

RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride
Sun Woo Kim, Sang-Hwan Kim, P. Shiv Halasyamani, Mark A. Green, Kanwal Preet Bhatti, C. Leighton, Hena Das and Craig J. Fennie
Chem. Sci., 2012, Advance Article
DOI: 10.1039/C2SC00765G, Edge Article

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500,000 structures and counting!

Solid form informatics is the use of knowledge-based techniques to evaluate and analyse structures, as well as to predict properties. Identifying solid forms of drugs with suitable physiochemical properties and reducing the late-stage appearance of additional drug forms are very attractive financial prospects for the pharmaceutical industry. Solid form informatics study of Lamotrigine, a pharmaceutical crystal structure

In this CrystEngComm advance article, Peter Galek and colleagues at the Cambridge Crystallographic Data Centre use a series of tools available in the Cambridge Structural Database System to analyse the 500,000th structure, deposited by Sridhar and Ravikumar (CSD Reference Code: EFEMUX01). Lamotrigine is an approved drug (marketed in the US as Lamictal) for the treatment of bipolar disorder, with considerable anticonvulsant activity.

By using a comprehensive series of molecular, intermolecular and supramolecular analyses, methylparaben is identified as the optimal candidate from five pharmaceutically acceptable co-formers for lamotrigine. This correlates well with experimental data previously published by Miranda Cheney and colleagues, confirming the team’s prioritisation of potential conformer candidates for lamotrigine through detailed assessment of shape complementarity and hydrogen bond propensity.

Read the full article to find out more…

One in half a million: a solid form informatics study of a pharmaceutical crystal structure
Peter T. A. Galek, Elna Pidcock, Peter A. Wood, Ian J. Bruno and Colin R. Groom
CrystEngComm, 2012, Advance Article
DOI: 10.1039/C2CE06362J

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BiMo and Ti oxide nanofibers with enhanced photocatalytic activity

The reknowned capabilities of TiO2-based materials in photocatalytic oxidation of organic pollutants and in photoelectrochemical conversion of solar energy are inherently limited by the poor quantum efficiency of titanium. Research in this area is targeting improved generation and separation of photoinduced electron-hole pairs in TiO2 in order to enhance photocatalytic activity.

In this CrystEngComm Advance Article, Mingyi Zhang and colleagues at the Northeast Normal University in Changchun, China, report the synthesis and characterisation of a series of Bi2MoO6 nanostructures grown on TiO2 nanofibers. These hierarchical heterostructures demonstrate improved photocatalytic activity due to the narrow band gap energy of Bi2MoO6 which be easily excited by visible light to induce the generation of photoelectrons and holes.

The novel synthetic route to these nanofibers combines both the electrospinning technique and the solvothermal method in order to tune the coverage density and morphology of the nanostructured Bi2MoO6. The hierarchical heterostructures exhibited a high visible light photocatalytic behaviour for the decomposition of Rhodamine B, indicating potential applications of these nanofibers in wastewater treatment.

Find out more about these Bi2MoO6/TiO2 nanofibers in this CrystEngComm Advance Article.

One-dimensional Bi2MoO6/TiO2 hierarchical heterostructures with enhanced photocatalytic activity
Mingyi Zhang, Changlu Shao, Jingbo Mu, Zhenyi Zhang, Zengcai Guo, Peng Zhang and Yichun Liu
CrystEngComm, 2012, DOI:10.1039/C1CE05974B

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