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Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00204F, Paper
Zhi-Ping Shi, Guo-Bin Ren, Ming-Hui Qi, Zhong Li, Xiaoyong Xu
Based on reported isomorphism of Azoxystrobin (AZO) solvates, five novel AZO solvates, including dimethyl succinate solvate (AZO-DMS), ethyl butyrate solvate (AZO-EB), thiophene solvate (AZO-TP), furan solvate (AZO-FN), and 1,2-diethoxyethane solvate...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Polymorph induced diversity of photomechanical motions of molecular crystals

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00311E, Paper
Lei Gao, Yunhui Hao, Xiunan Zhang, Xin Huang, Ting Wang, Hongxun Hao
Photomechanical motions of the polymorphs of trans-4,4'-azopyridine are distinct under the influence of different molecular packing and intermolecular interactions.
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Syntheses of Nymphaea-like BiOCl with oxygen vacancies for effectively remove tetracycline hydrochloride

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00417K, Paper
Weidong Hou, Jia Yang, Haiming Xu, Dongya Li, Zhongwei Zou, Dongsheng Xia
Nymphaea-like BiOCl with oxygen vacancies (OVs) was successfully prepared by adjusting the pH of the precursor and using aspartic acid as surfactant. The as-fabricated samples were investigated by XRD, SEM,...
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Diminishing accessibility of electrophilic nickel(II) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(II)/sodium complexes: a DFT study using a homodesmotic equation

CrystEngComm, 2020, 22,2970-2977
DOI: 10.1039/D0CE00251H, Paper
Prasanata Kumar Bhaumik, Abhisek Banerjee, Tamal Dutta, Sudipta Chatterjee, Antonio Frontera, Shouvik Chattopadhyay
The ethoxy groups have a dual effect in hindering the attack of the pseudo-halides on the nickel(II) centre and also in stabilizing the complex by intra-molecular interactions.
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Effect of particle size and morphology on the performance of BiFeO3–PDMS piezoelectric generators

CrystEngComm, 2020, 22,2919-2925
DOI: 10.1039/D0CE00067A, Paper
Kohei Yoshiyama, Masae Mori, Manabu Hagiwara, Shinobu Fujihara
The effect of the size and morphology of piezoelectric BiFeO3 particles on the performance of BiFeO3–PDMS composite generators is revealed.
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Nanosheet-assembled carbonated hydroxyapatite microspheres prepared by an EDTA-assisted hydrothermal homogeneous precipitation route

CrystEngComm, 2020, 22,2884-2888
DOI: 10.1039/D0CE00305K, Communication
Mei-li Qi, Shengkun Yao, Xiao-Cun Liu, Xiaoning Wang, Fengkun Cui
Well-defined carbonated hydroxyapatite microspheres assembled from nanosheets were synthesized by a Na2EDTA-assisted hydrothermal homogeneous precipitation route.
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Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology

CrystEngComm, 2020, 22,2933-2944
DOI: 10.1039/D0CE00275E, Paper
Anna Goldman, Beatriz Gil-Hernández, Simon Millan, Serkan Gökpinar, Christian Heering, Ishtvan Boldog, Christoph Janiak
The prototypal [M2(EtBCP)2(DABCO)0.5] MOFs, compliant with isoreticular expansion in two-dimensions, show flexibility manifested by a two-step CO2 adsorption isotherm, which might be associated to the “lever-action” of the metal-phosphonate moieties.
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A three-in-one crystal of mixed sized cucurbit[n]uril homologues

CrystEngComm, 2020, 22,2900-2903
DOI: 10.1039/D0CE00296H, Communication
Oksana Danylyuk, Volodymyr Sashuk
Crystallization-driven self-assembly of three macrocyclic members of the cucurbit[n]uril family is explained by the cumulative effect of multiple C–H⋯O hydrogen bonds.
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Step-by-step: uncommon SCSC transformation accompanied by stepwise change in the binding of a particular ligand within a mononuclear complex upon stepwise desolvation

CrystEngComm, 2020, 22,2895-2899
DOI: 10.1039/D0CE00379D, Communication
Andrey V. Gavrikov, Andrey B. Ilyukhin, Pavel S. Koroteev
Uncommon SCSC transformation when desolvation induces subtle changes within a mononuclear complex, namely a stepwise change in the binding of a particular ligand.
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Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations

CrystEngComm, 2020, 22,2889-2894
DOI: 10.1039/D0CE00397B, Communication
Open Access
Peng Yang, Buthainah Alshankiti, Niveen M. Khashab
Intrinsically porous molecular building blocks are used for the rational design and construction of molecular-level controlled porous materials.
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Hydrothermal synthesis and tunable up-conversion white luminescence properties of KSc(MoO4)2:Ln3+ (Ln = Yb, Er, Tm and Ho) crystals

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00253D, Paper
Yini Mao, Li Jiang, Pengfei Xian, Qiongfen Fu, Shanshan Hu, Jun Yang
Pure hexagonal phase KSc(MoO4)2 crystals with a hexagonal block shape were successfully synthesized via a one-step hydrothermal method.
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Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine – 3- methylsalicylic acid co-crystal

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00498G, Paper
Dipali Ahuja, Michael Svärd, Matteo Lusi, Ake Rasmuson
A new 1:1 co-crystal of sulfamethazine (API, SMT) and 3-methylsalicylic acid (coformer, 3mSA) has been synthesized and its crystal structure solved by single crystal X-ray diffraction (XRD). The co-crystal has...
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Modified Floating-Zone Crystal Growth of Mg4Ta2O9 and Its Scintillation Performance

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00388C, Paper
Dongsheng Yuan, Federico Moretti, Didier Perrodin, Gregory Bizarri, Tetiana Shalapska, Christophe Dujardin, Edith Bourret
Aiming to explore scintillator candidates for high-energy radiography, the environmentally friendly compound Mg4Ta2O9 was selected. Bulk crystals of good optical quality are needed to evaluate its scintillation performance against other...
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Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00513D, Paper
Mengdie Wang, Jian Zhang, Yun-Kai Sun, Jing Wei, Chunhong Tan, Xiao-Feng Wang
Four layered coordination polymers, namely, [Cd2(fuma)2(phen)2] (1), [Cd2(BDC)2(phen)2]·2DMF (2), [Cd2(NDC)2(phen)2]·0.5H2O (3), [Cd2(NDC)2(bipy)2]·2DMF (4) have been synthesized under solvo-thermal conditions (fuma = fumaric acid, H2BDC = 1,4-benzenedicarboxylic acid, H2NDC =1,4-naphthalenedicarboxylic acid,...
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Microstructure characteristics of non-monodisperse quantum dots: On the potential of transmission electron microscopy combined with X-ray diffraction

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00312C, Paper
Stefan Neumann, Cristina Menter, Ahmed Salaheldin Mahmoud, Doris Segets, David Rafaja
Although the concept of quantum confinement was introduced more than thirty years ago, a wide application of the quantum dots is still limited by the fact that monodisperse quantum dots...
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Solvatomorphism and phase transformation of CL-20: probing properties and investigating mechanisms

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00059K, Paper
Bochen Pan, Zhanzhong Wang, Yichun Shen, Liangxiao Wei, Hongyuan Wei, Leping Dang
Five novel CL-20 solvates were prepared and fully characterized, and the solvate formation and phase transformation processes were systematically investigated.
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Pseudosymmetric layers in high-Z' and P1 structures of organic molecules

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00302F, Paper
Carolyn Pratt Brock
Layers having obvious approximate symmetry higher than that of the overall 3-D crystal are present in 20–25% of the Z' > 4 and P1 organic structures archived in the Cambridge Structural Database. In some structures different types of layers alternate.
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Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00408A, Paper
Open Access
Alice M Bumstead, María Laura Ríos Gómez, Michael Francis Thorne, Adam F. Sapnik, Louis Longley, Joshua Mark Tuffnell, Dean S Keeble, David A. Keen, Thomas Douglas Bennett
Recently, there has been growing interest in the amorphous states of metal–organic frameworks (MOFs). Particular focus has been given to melt-quenched MOF glasses. In this work, to improve our understanding...
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Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00475H, Paper
Zhenzhen Jiang, Ping Zhou, Tingting Xu, Lihui Fan, Simin Hu, Jingxian Chen, Yabing He
A pair of Co-based MOFs exhibited inorganic acid-driven structural diversities, and one of them displayed the C2H2 separation and purification potential.
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A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00368A, Paper
Ling-Yang Wang, Yueming Yu, Ming-Chao Yu, Yan-Tuan Li, Zhi-Yong Wu, Cui-Wei Yan
The first molecular salt concurrently combining antibacterial drug sulfathiazole (SFZ) and antiviral constituent amantadine (ATD) is designed and successfully synthesized via salification strategy. The precise structure of the newly obtained...
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More quarantine facilities to be arranged in Kasaragod

1,851 rooms ready for expatriates: Minister




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State brings down infant mortality rate

Figure falls to 7, as against the UN-set target of 8 for 2020




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3,000 more come home through 6 check-posts

Walayar witnesses heavy rush as 1,925 return on Friday




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Medicaid physician fees and access to care among children with special health care needs [electronic resource] / Pinka Chatterji, Sandra Decker, Jason U. Huh

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Beyond basis basics [electronic resource] : leverage demand and deviations from the law of one price / Todd M. Hazelkorn, Tobias J. Moskowitz, Kaushik Vasudevan

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Assessing the suitability of the Longitudinal and International Study of Adults for the estimation of intergenerational income mobility [electronic resource] / by Gaëlle Simard-Duplain and Xavier St-Denis

Ottawa : Statistics Canada = Statistique Canada, 2020




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The coronavirus and the Great Influenza Pandemic [electronic resource] : lessons from the "Spanish Flu" for the coronavirus's potential effects on mortality and economic activity / Robert J. Barro, José F. Ursúa, Joanna Weng

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Estimating macroeconomic models of financial crises [electronic resource] : an endogenous regime-switching approach / Gianluca Benigno, Andrew Foerster, Christopher Otrok, Alessandro Rebucci

Cambridge, Mass. : National Bureau of Economic Research, 2020




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The unprecedented stock market impact of COVID-19 [electronic resource] / Scott R. Baker, Nicholas Bloom, Steven J. Davis, Kyle J. Kost, Marco C. Sammon, Tasaneeya Viratyosin

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Inference for ranks with applications to mobility across neighborhoods and academic achievement across countries [electronic resource] / Magne Mogstad, Joseph P. Romano, Azeem Shaikh, Daniel Wilhelm

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Paying outsourced labor [electronic resource] : direct evidence from linked temp agency-worker-client data / Andres Drenik, Simon Jäger, Pascuel Plotkin, Benjamin Schoefer

Cambridge, Mass. : National Bureau of Economic Research, 2020




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An SEIR infectious disease model with testing and conditional quarantine [electronic resource] / David W. Berger, Kyle F. Herkenhoff, Simon Mongey

Cambridge, Mass. : National Bureau of Economic Research, 2020




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Human mobility restrictions and the spread of the Novel Coronavirus (2019-nCoV) in China [electronic resource] / Hanming Fang, Long Wang, Yang Yang

Cambridge, Mass. : National Bureau of Economic Research, 2020





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Sara Ali Khan is in the mood for Love Aaj Kal

Wherever Bollywood celebs go, the cameras follow.




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Guess which movie is Shraddha watching?

Padmini Kolhapure plays a leading role in a Marathi film after more than a decade, and her family came forward to cheer her at its special screening.






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Kajol: The #MeToo movement was necessary

Kajol, Neha Dhupia, Shruti Haasan and quite a few ladies from Bollywood got together to star in a short film called Devi.






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Bollywood's losing THIS MUCH money due to COVID-19

But how does one plan for a pandemic like the coronavirus, which arrives totally unannounced and results in practically a global shutdown?




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Coronavirus: Movies which won't release now

A look at film releases affected by coronavirus.







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Deepa Mehta mourns Ranjit Chowdhury

'His wicked sense of humour, his compassion will be hard to replace.'




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When Kangana didn't have money to get her first award

On the 14th anniversary of her debut, Kangana revealed how she won the best actress award for Gangster, but didn't have the money to travel to Singapore to collect her prize.




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'He fought and fought until the last moment'

Bollywood pays homage to one of India's finest actors.