Aliya Anwar – Page 4 – CrystEngComm Blog

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November’s HOT articles

28 Nov 2014

We have a new crop of HOT articles which are free to access for 4 weeks. These have also been compiled into a collection and are available for viewing on our website.

Will it crystallise? Predicting crystallinity of molecular materials
Jerome G. P. Wicker and Richard I. Cooper
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01912A

Graphical Abstract

Free to access until 28^th December 2014

New evidence of a thermodynamically stable nanophase: CdS in 4 M KOH–tert-butanol solution
Jinsheng Zheng, Xiaogang Xue, Dongsong Li and Yibing Zhao
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01901F

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Free to access until 28^th December 2014

Morphology-controlled synthesis and structural characterization of ternary Al_xGa_1−xN nanostructures by chemical vapor deposition
Fei Chen, Xiaohong Ji and Qinyuan Zhang
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01886A

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Free to access until 28^th December 2014

Tuning the size and shape of nano-boehmites by a free-additive hydrothermal method
Pablo Pardo, Noemí Montoya and Javier Alarcón
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE02094D

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Free to access until 28^th December 2014

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One of the biggest barriers when it comes to studying the structures of molecules is the ability to obtain them in a crystalline form for x-ray diffraction. Now, Richard Cooper and Jerome Wicker at the University of Oxford, UK, have developed a machine learning approach to predict whether a small organic molecule will be able to crystallise. Since crystallinity is vital both for determining structures, and also for the delivery of many drugs, this work could provide valuable information.

0χv was found to give the highest predictive accuracy in determining crystallisation propensity

Machine learning involves the construction of algorithms that can learn from data, and it has been used in the past to predict the solubilities and melting points of materials. Cooper and Wicker set out to test whether simple two-dimensional information, such as atom types, bond types and molecular volume, could be used to predict if a material would crystallise.

Interested? Read the full story at Chemistry World.

The original article can be read below:

Will it crystallise? Predicting crystallinity of molecular materials
Jerome G. P. Wicker and Richard I. Cooper
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01912A

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October’s HOT articles

03 Nov 2014

Please take a look at our new batch of HOT articles which are free to access for 4 weeks only!

Our HOT articles have also been compiled into a collection and are available for viewing on our website

Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol
Constance R. Pfeiffer, Drew A. Fowler, Simon Teat and Jerry L. Atwood
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01768D

Graphical Abstract

Free to access until 26^thNovember 2014

Structural trends in hybrid perovskites [Me₂NH₂]M[HCOO]₃(M = Mn, Fe, Co, Ni, Zn): computational assessment based on Bader charge analysis
Monica Kosa and Dan Thomas Major
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01387E

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Free to access until 26^thNovember 2014

Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study
Christer B. Aakeröy, Dhanushi Welideniya, John Desper and Curtis Moore
CrystEngComm, 2014, 16, 10203-10209
DOI: 10.1039/C4CE01614A

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Free to access until 26^thNovember 2014

Generation of luminescence in biomineralized zirconia by zirconia-binding peptides
D. Rothenstein, D. Shopova-Gospodinova, G. Bakradze, L. P. H. Jeurgens and J. Bill
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01510J

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Free to access until 26^thNovember 2014

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International Conference on Structural Chemistry of Molecules and Materials

26 Sep 2014

The Royal Society of Chemistry is proud to jointly host the International Conference on Structural Chemistry of Molecules and Materials (SCOMM14) with the University of Calcutta, Jadavpur University and IISER-Kolkata.

It will take place at the Center for Research in Nanoscience and Nanotechnology (CRNN), University of Calcutta from the 30^th November to 2^ndDecember 2014.

CRNN

The conference is being organized to celebrate the International Year of Crystallography (IYCr) and covers contemporary problems of crystal engineering, materials synthesis, chemical structure and dynamics.

Confirmed Speakers

Professor Gautam Desiraju (IIS Bangalore)

Professor Kumar Biradha (IIT Kharagpur)

Professor Neil Champness (University of Nottingham)

Professor Susan Bourne (University of Cape Town)

Professor Len MacGillivray (University of Iowa)

Professor Russell Morris (University of St Andrew’s)

Professor Chilla Malla Reddy (IISER Kolkata)

Professor George Shimizu (University of Calgary)

Professor Michael Ward (University of Sheffield)

It will focus on all aspects of structural chemistry, including multidisciplinary areas, and will offer the opportunity for scientists from many different countries to exchange their scientific experience as well as to intensify their cooperation to partners.

For full details of confirmed speakers, venue information, and registration. See the website.

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September’s HOT articles

19 Sep 2014

Please take a look at Autumn’s HOT articles which are free to access for 4 weeks only!

Our HOT articles have also been compiled into a collection and are available for viewing on our website

The effect of NH₄⁺ on shape modulation of La_1−xSr_xMnO₃crystals in a hydrothermal environment
Keke Huang, Wenchun Feng, Long Yuan, Jiaxin Zhang, Xuefeng Chu, Changmin Hou, Xiaofeng Wu and Shouhua Feng
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01332H

Graphical Abstract

Free to access until 27^thOctober 2014

Effects of surroundings on upconversion luminescent properties of rare earth luminescence centers
Jiayin Zhang, Feng Qin, Hua Zhao, Xin Yang, Xitian Zhang, Xuanzhang Wang, Hong Gao, Zhiguo Zhang and Wenwu Cao
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01441C

Graphical Abstract

Free to access until 27^thOctober 2014

Metal–organic frameworks as hosts for nanoparticles
Christoph Rösler and Roland A. Fischer
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01251H

Graphical Abstract

Free to access until 17^thOctober 2014

Low-temperature crystal growth of aluminium-doped zinc oxide nanoparticles in a melted viscous liquid of alkylammonium nitrates for fabrication of their transparent crystal films
Hiroki Kaneko, Takanari Togashi, Takashi Naka, Manabu Ishizaki, Katsuhiko Kanaizuka, Masatomi Sakamotoa and Masato Kurihara
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01336K

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Free to access until 17^thOctober 2014

Charged nanoparticles crystallizing and controlling crystallization: from coatings to nanoparticle surfactants to chemical amplifiers
Bartosz A. Grzybowski
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00689E

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Free to access until 17^thOctober 2014

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August’s HOT papers

14 Aug 2014

Please take a look at our new batch of HOT articles and enjoy reading in the August sunshine! These are free to access for 4 weeks only!

Our HOT articles have also been compiled into a collection and are available for viewing on our website

Illuminating protein crystal growth using fluorophore-labelled proteins
Alaa Adawy, Willem J. P. van Enckevort, Elisabeth S. Pierson, Willem J. de Grip and Elias Vlieg
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01281J

Graphical Abstract

Free to access until 17^th October 2014

Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel
U. Baisch and L. Vella-Zarb
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01279H

Graphical Abstract

Free to access until 17^th October 2014

Encapsulated Cd₃P₂ quantum dots emitting from the visible to the near infrared for bio-labelling applications
Liping Ding, Shulian He, Dechao Chen, Mei Huang, Jinzhang Xu, Stephen G. Hickey, Alexander Eychmüller, Shu-Hong Yu and Shiding Miao
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01041H

Graphical Abstract

Free to access until 11^th September 2014

Melting point–solubility–structure correlations in multicomponent crystals containing fumaric or adipic acid
Eustina Batisai, Alban Ayamine, Ornella E. Y. Kilinkissa and Nikoletta B. Báthori
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01298D

Graphical Abstract

Free to access until 11^th September 2014

Cocrystals of telmisartan: characterization, structure elucidation, in vivo and toxicity studies
Renu Chadha, Swati Bhandari, Jamshed Haneef, Sadhika Khullar and Sanjay Mandal
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00797B

Graphical Abstract

Free to access until 9^th September 2014

Orthogonal halogen and hydrogen bonds involving a peptide bond model
Vera Vasylyeva, Susanta K. Nayak, Giancarlo Terraneo, Gabriella Cavallo, Pierangelo Metrangolo and Giuseppe Resnati
CrystEngComm, 2014, 16, 8102-8105
DOI: 10.1039/C4CE01514B

Graphical Abstract

Free to access until 9^th September 2014

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July’s HOT articles

10 Jul 2014

Here is July’s batch of HOT articles – remember, these are free to access for 4 weeks only!

Our HOT articles have also been compiled into a collection and are available for viewing on our website.

Water crystallization to create ice spacers between graphene oxide sheets for highly electroactive graphene paper
Kunfeng Chen, Fei Liu, Shuyan Song and Dongfeng Xue
CrystEngComm, 2014, 16, 7771-7776
DOI: 10.1039/C4CE01030B

Graphical Abstract

Free to access until 20^th August 2014

Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene
Chong-Qing Wan, Ai-Min Li, Shaeel A. Al-Thabaiti, El-Sayed H. El-Mosslamy and Thomas C. W. Mak
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00753K

Free to access until 13^th August 2014

Synthesis of Cu_2−xS nanocrystals induced by foreign metal ions: phase and morphology transformation and localized surface plasmon resonance
Haihang Ye, Aiwei Tang, Chunhe Yang, Kai Li, Yanbing Hou and Feng Teng
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00945B

Graphical Abstract

Free to access until 13^th August 2014

Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study
Roberto Centore, Mauro Causà, Francesca Cerciello, Fabio Capone and Sandra Fusco
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00956H

Graphical Abstract

Free to access until 7^th August 2014

Evolution of ZnO microstructures from hexagonal disk to prismoid, prism and pyramid and their crystal facet-dependent gas sensing properties
Nan Qin, Qun Xiang, Hongbin Zhao, Jincang Zhang and Jiaqiang Xu
CrystEngComm, 2014, 16, 7062-7073
DOI: 10.1039/C4CE00637B

Graphical Abstract

Free to access until 4^th August 2014

Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals
Yanqing Liu, Fapeng Yu, Zhengping Wang, Shuai Hou, Lei Yang, Xinguang Xu and Xian Zhao
CrystEngComm, 2014, 16, 7141-7148
DOI: 10.1039/C4CE00869C

Graphical Abstract

Free to access until 4^th August 2014

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HOT articles in June

12 Jun 2014

Take a look at our HOT articles for the month of June and let us know your thoughts below. Remember, these are free to access for four weeks!

Crystal growth, transport phenomena and two-gap superconductivity in the mixed alkali metal (K_1−zNa_z)_xFe_2−ySe₂iron selenide
Maria Roslova, Svetoslav Kuzmichev, Tatiana Kuzmicheva, Yevgeny Ovchenkov, Min Liu, Igor Morozov, Aleksandr Boltalin, Andrey Shevelkov, Dmitry Chareev and Alexander Vasiliev
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C3CE42664E

Graphical Abstract

Free to access until 30^thJuly 2014

Coordination assembly of Borromean structures
Mei Pan and Cheng-Yong Su
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00616J

Graphical Abstract

Free to access until 30^thJuly 2014

Weak hydrogen and dihydrogen bonds instead of strong N–HO bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis
Magdalena Owczarek, Irena Majerz and Ryszard Jakubas
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00571F

Graphical Abstract

Free to access until 15^th July 2014

Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry
Thomas Biet and Narcis Avarvari
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00736K

Graphical Abstract

Free to access until 15^th July 2014

A novel azobenzene covalent organic framework
Jian Zhang, Laibing Wang, Na Li, Jiangfei Liu, Wei Zhang, Zhengbiao Zhang, Nianchen Zhou and Xiulin Zhu
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00369A

Graphical Abstract

Free to access until 15^th July 2014

The direct growth of a WO₃ nanosheet array on a transparent conducting substrate for highly efficient electrochromic and electrocatalytic applications
Guo-fa Cai, Jiang-ping Tu, Ding Zhou, Lu Li, Jia-heng Zhang, Xiu-li Wang and Chang-dong Gu
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE00404C

Graphical Abstract

Free to access until 15^th July 2014

How to print a crystal structure model in 3D
Teng-Hao Chen, Semin Lee, Amar H. Flood and Ognjen Š. Miljanić
CrystEngComm, 2014, 16, 5488-5493
DOI: 10.1039/C4CE00371C

Graphical Abstract