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Formation of Fe(III)–As(V) complexes: effect on the solubility of ferric hydroxide precipitates and molecular structural identification

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Environ. Sci.: Nano, 2020, Advance Article
DOI: 10.1039/D0EN00024H, Paper
Qiantao Shi, George E. Sterbinsky, Shujuan Zhang, Christos Christodoulatos, George P. Korfiatis, Xiaoguang Meng
Soluble Fe(III)–As(V) complexes were found at both acidic and neutral conditions, which significantly change the solubility of ferric oxides.
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The Gut Barrier and the Fate of Engineered Nanomaterials: A View from Comparative Physiology

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Environ. Sci.: Nano, 2020, Accepted Manuscript
DOI: 10.1039/D0EN00174K, Critical Review
Open Access
Meike van der Zande, Anita Jemec Kokalj, David Spurgeon, Susana Loureiro, Patricia Silva, Zahra Khodaparast, Damjana Drobne, Nathaniel J. Clark, Nico van den Brink, Marta Baccaro, Kees van Gestel, Hans Bouwmeester, Richard D. Handy
The structure of the gut barrier and luminal chemistry in non-mammalian vertebrates and invertebrates has been given little attention with respect to the dietary uptake of engineered nanomaterials (ENMs). This...
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Multivariate analysis of the exposure and hazard of ceria nanomaterials in indoor aquatic mesocosms

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Environ. Sci.: Nano, 2020, Advance Article
DOI: 10.1039/C9EN01439J, Paper
Mohammad Nassar, Mélanie Auffan, Catherine Santaella, Armand Masion, Jérôme Rose
Associating mesocosm experimentations with multivariate analyses to identify the parameters governing the behavior and impact of nanomaterials on aquatic ecosystems.
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A tribo-positive Fe@MoS2 piezocatalyst for durably degradation of tetracycline: Degradation mechanism and toxicity assessment

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Environ. Sci.: Nano, 2020, Accepted Manuscript
DOI: 10.1039/D0EN00284D, Paper
Fanqing Meng, wei Ma, Yinglong Wang, Zhaoyou Zhu, zhen chen, gung Lu
The elimination of antibiotics by piezo-catalysis method has recently drawn great attention for its benefits in engineering application. However, the risk assessment of the target antibiotics and its degradation intermediates...
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Emerging investigator series: Efficient Microalgae Inactivation and Growth Control by Locally Enhanced Electric Field Treatment (LEEFT)

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Environ. Sci.: Nano, 2020, Accepted Manuscript
DOI: 10.1039/C9EN01366K, Paper
Peirui Liu, Jianfeng Zhou, Ting Wang, Cecilia Yu, Yu Hong, Xing Xie
Locally enhanced electric field treatment (LEEFT) has been considered as a novel and promising technology for efficient microorganism inactivation in recent years. Previous studies were primarily conducted on bacteria and...
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Development and application of a ratiometric nanosensor for measuring pH inside the gastrointestinal tract of zooplankton

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Environ. Sci.: Nano, 2020, Accepted Manuscript
DOI: 10.1039/C9EN01300H, Paper
Open Access
Adam Davis, Fatima Nasser, Jamie R Lead, Zongbo Shi
The pH within the gastrointestinal (GI) tract of zooplankton regulates the bioavailability of nutrients and inorganic toxins (metals, nanoparticles) and the breakdown of ingested food. However, measuring the spatial distribution...
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Environmental fate of sulfidated nZVI particles: the interplay of nanoparticle corrosion and toxicity during aging

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Environ. Sci.: Nano, 2020, Advance Article
DOI: 10.1039/D0EN00075B, Paper
Jaroslav Semerád, Jan Filip, Alena Ševců, Miroslav Brumovský, Nhung H. A. Nguyen, Jiří Mikšíček, Tomáš Lederer, Alena Filipová, Jana Boháčková, Tomáš Cajthaml
This work describes an important, environmentally relevant phenomenon of metal nanoparticle aging in relation to the toxicity of nanomaterials; in this case, sulfidated nanoscale zero-valent materials intended for remediation purposes.
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Fragmentation of polymer nanocomposites: modulation by dry and wet weathering, fractionation, and nanomaterial filler

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Environ. Sci.: Nano, 2020, Accepted Manuscript
DOI: 10.1039/C9EN01360A, Paper
Open Access
Richard Zepp, Emmanuel Ruggiero, Brad Acrey, Mary J. B. J. B. Davis, Changseok Han, Hsin-Se Hsieh, Klaus Vilsmeier, Wendel Wohlleben, Endalkachew Sahle-Demessie
In recent years, an increasing number of polymeric composites incorporating nanomaterials (NMs) have reached the market. Such nano-enabled products (NEPs) present enhanced performance through improved mechanical, thermal, UV protection, electrical,...
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Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00404A, Communication
Xinrui He, Jian Zhao, Zeqing Tan, Jiaxin Zhao, Xiao Cheng, Chuanjian Zhou
Chalcone single crystals with distinctively different emission color and photoinduced mechanical response are designed and fabricated via fine-tuning the donor substituents.
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Existence of untypical halogen-involving interactions in crystal packings: a statistical and first-principles study

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CrystEngComm, 2020, 22,2756-2765
DOI: 10.1039/C9CE01885A, Paper
Yaser Balmohammadi, Hamid Reza Khavasi, S. Shahab Naghavi
There is a common perception by the scientific community that a halogen-involving interaction forms when the distance between the donor atom and the acceptor atom is less than the sum of their van der Waals (vdW) radii.
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Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms

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CrystEngComm, 2020, 22,2700-2704
DOI: 10.1039/D0CE00133C, Communication
Ukyo Yamashita, Nobuto Yoshinari, Rapheepraew Sodkhomkhum, Natthaya Meundaeng, Takumi Konno
Anion-controlled formation of hydrogen-bonded metallosupramolecular helices from a RhIII4ZnII4 polycarboxylate is reported.
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Defective crystal plane-oriented induced lattice polarization for the photocatalytic enhancement of ZnO

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CrystEngComm, 2020, 22,2709-2717
DOI: 10.1039/C9CE01966A, Paper
Xiaojuan Bai, Boxuan Sun, Xuyu Wang, Tianshuo Zhang, Qiang Hao, Bing-Jie Ni, Ruilong Zong, Ziyang Zhang, Xiaoran Zhang, Haiyan Li
The mechanism of the photocatalytic reaction of defective ZnO systems was determined.
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Susceptible CoSnO3 nanoboxes with p-type response for triethylamine detection at low temperature

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CrystEngComm, 2020, 22,2795-2805
DOI: 10.1039/D0CE00170H, Paper
Lingli Zheng, Yingqiang Zhao, Yongshan Xu, Chen Yang, Jun Zhang, Xianghong Liu
CoSnO3 nanoboxes exhibit a p-type response to detect triethylamine at 100 °C with a limit of detection of 134 ppb.
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Designed synthesis of unique ZnS@CdS@Cd0.5Zn0.5S-MoS2 hollow nanospheres for efficient visible-light-driven H2 evolution

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CrystEngComm, 2020, 22,2743-2755
DOI: 10.1039/D0CE00064G, Paper
Bowen Sun, Hui Wang, Jiakun Wu, Yanling Geng, Jixiang Xu, Yaowei Wang, Yanyan Li, Haifeng Lin, Lei Wang
Unique ZnS@CdS@Cd0.5Zn0.5S-MoS2 hollow nanospheres with abundant active sites and enhanced light-harvesting and charge separation demonstrate efficient H2 evolution from visible-light-driven water-splitting.
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Controlled engineering of nano-sized FeOOH@ZnO hetero-structures on reduced graphene oxide for lithium-ion storage and photo-Fenton reaction

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CrystEngComm, 2020, 22,2827-2836
DOI: 10.1039/D0CE00171F, Paper
Binghui Xu, Xin Dai, Qingke Tan, Yuan Wei, Gonggang Liu, Guanglei Wu
In this work, a nano-sized goethite and zinc oxide hetero-structure (FeOOH@ZnO) dispersed on reduced graphene oxide (RGO) sheets was synthesized for the first time to construct a ternary composite (FeOOH@ZnO/RGO) via a stepped graphene oxide (GO) deoxygenation process.
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Heterobimetallic complexes from 0D clusters to 3D networks based on various polycyanometallates and [Cu(dmpn)2]2+ (dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties

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CrystEngComm, 2020, 22,2806-2816
DOI: 10.1039/D0CE00235F, Paper
Xiaoyun Hao, Jingwen Shi, Yong Dou, Tong Cao, Zhen Zhou, Lu Yang, Dacheng Li, Qingyun Liu, Jianzhuang Jiang, Daopeng Zhang
Six new cyanide-bridged complexes (0–3D) have been assembled by employing one copper compound and six cyano precursors. Investigation of the magnetic properties revealed the ferro- or antiferromagnetic coupling between FeIII/CrI ion and CuII ion.
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New 2D layered structures with direct fluorine–metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)

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CrystEngComm, 2020, 22,2772-2780
DOI: 10.1039/D0CE00287A, Paper
S. Zänker, G. Scholz, M. Heise, F. Emmerling, E. Kemnitz
New coordination polymers with 2D network structures with fluorine directly coordinated to the metal ion were prepared both via mechanochemical synthesis and fluorolytic sol–gel synthesis.
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Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00317D, Paper
Zhen-Li Yang, Jian Qin, Jun- Qing Yang , Jianguo Zhang
Research on novel energetic coordination polymers (ECPs) is becoming increasingly important for energetic materials, numerous ECPs were reported and found to be potential energetic materials. In this study, 4,5-dicarboxylic-1,2,3-triazolean was...
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A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00430H, Paper
Hai-Huan Yu, Jia-Qi Chi, Zhong-Min Su, Xiao Li, Jing Sun, Chen Zhou, Xiao-Li Hu, Qun Liu
The existence of Cr2O72- anions, excessive Fe3+ cations in water and picric acid in seawater have irreversible harm to human health and aquatic organism. Herein, a water-stable terbium metal-organic framework...
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Crystal nucleation of salicylamide and a comparison with salicylic acid

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00168F, Paper
Shubhangi Kakkar, K. Renuka Devi, Michael Svärd, Åke Rasmuson
Nucleation behaviour of salicylamide in different solvents was determined and compared with salicylic acid, attempting to progress the rationalization of the influence of the solvent and solute on crystal nucleation of organic compounds in solution.
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Correction: Two-dimensional porous nickel oxalate thin sheets constructed by ultrathin nanosheets as electrode materials for high-performance aqueous supercapacitors

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE90057E, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Chenglan Zhao, Yuqian Jiang, Shunfei Liang, Fang Gao, Li Xie, Lingyun Chen
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A digital workflow from crystallographic structure to single crystal particle attributes for predicting the formulation properties of terbutaline sulfate

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00026D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Thai T. H. Nguyen, Robert B. Hammond, Ioanna D. Styliari, Darragh Murnane, Kevin J. Roberts
A detailed inter-molecular (synthonic) analysis of terbutaline sulfate, an ionic addition salt for inhalation drug formulation, is related to its crystal morphology, the surface chemistry of the habit faces and hence to its crystal surface energy.
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Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00084A, Paper
Yang Wang, Mengjia Luo, pei Zhao, Xiangli Che, Yunzhen Cao, Fu Qiang Huang
A new mid-infrared nonlinear optical oxyselenide, Sr4Pb1.5Sb5O5Se8, was successfully synthesized by traditional solid-state reaction. It crystallizes in the noncentrosymmetric space group Cm (No. 8) of the monoclinic system. The crystal...
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The effect of deuteration-levels in solution and temperature on the segregation coefficient of deuterium content in rapid-grown K(DxH1-x)2PO4 crystals using Raman spectroscopy

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00386G, Paper
Jinxin Huang, Zongqi Wang, Bing Teng, Hong Liu, Xixi Zheng, Shaohua Ji
A series of K(DxH1-x)2PO4 (DKDP) crystals with different saturating temperature and deuteration levels were grown by point-seed rapid growth method. The correlation between deuterium segregation coefficient and temperature and deuterium...
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First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00644K, Communication
Kazuyuki Maeda, Kentaro Wakui, Kyosuke Arakawa, Atsushi Kondo
Topotactic pillaring of lamellar aluminophosphate (ALPO) layers with zinc cations is used to prepare microporous zincoaluminophosphate (ZnAPO) with AFY-type framework for the first time. This approach should be promising for...
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Syntheses of Nymphaea-like BiOCl with oxygen vacancies for effectively remove tetracycline hydrochloride

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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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Study of the versatility of CuBTC@IL-derived materials for heterogeneous catalysis

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CrystEngComm, 2020, 22,2904-2913
DOI: 10.1039/C9CE01157A, Paper
Edurne S. Larrea, Roberto Fernández de Luis, Arkaitz Fidalgo-Marijuan, Eva M. Maya, Marta Iglesias, Maria I. Arriortua
The versatility of CuBTC (HKUST-1) MOF materials to be functionalized to improve their catalytic activity performance was evaluated. CuBTC@IL catalysts are selective for the cycloaddition of CO2 to epoxides, giving rise to value-added products.
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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

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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 dilution in a hydrothermal process and post-synthetic annealing on the tailoring of hierarchical ZnO nanostructures

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CrystEngComm, 2020, 22,3059-3069
DOI: 10.1039/D0CE00310G, Paper
Smriti Thakur, Sanjay K. Mandal
Morphology transformation and dimensionality change as a result of dilution and post-synthetic annealing are reported.
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Cocrystals/salt of 1-naphthaleneacetic acid and utilizing Hirshfeld surface calculations for acid–aminopyrimidine synthons

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CrystEngComm, 2020, 22,2978-2989
DOI: 10.1039/D0CE00106F, Paper
Utsav Garg, Yasser Azim, Aranya Kar, Chullikkattil P. Pradeep
Revisit of acid–aminopyrimidine synthons to explore the robustness in presence of linear hetrotetramer and heterotrimer synthon.
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Flange union at nanoscale: fabrication and formation mechanism

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CrystEngComm, 2020, 22,2914-2918
DOI: 10.1039/D0CE00244E, Paper
Shengliang Zhong, Honghong Zou, Yanhua Ji, Chenghui Zeng, Lei Wang, Yanhong Chen, Hualan Xu
Coordination polymer superstructures connected by a flange union with a good geometry were fabricated. Assembly, disassembly and reassembly process happened during the formation.
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Effect of particle size and morphology on the performance of BiFeO3–PDMS piezoelectric generators

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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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Formation mechanism and size control of ceria nanocubes

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CrystEngComm, 2020, 22,3033-3041
DOI: 10.1039/D0CE00224K, Paper
Chunyan Dong, Yan Zhou, Na Ta, Wenjie Shen
Ceria nanocubes of 10–20 nm were hydrothermally synthesized, involving Ce(OH)3 rods and small-sized CeO2 polyhedra/cubes as building blocks.
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Two-dimensional porous nickel oxalate thin sheets constructed by ultrathin nanosheets as electrode materials for high-performance aqueous supercapacitors

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CrystEngComm, 2020, 22,2953-2963
DOI: 10.1039/D0CE00268B, Paper
Chenglan Zhao, Yuqian Jiang, Shunfei Liang, Fang Gao, Li Xie, Lingyun Chen
2D porous nickel oxalate thin sheets constructed by ultrathin nanosheets were first synthesized by using a simple hydrothermal method. The resulting porous thin sheets exhibited superior supercapacitor performance.
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A new Fourier transformation method for SAXS of polymer lamellar crystals

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CrystEngComm, 2020, 22,3042-3058
DOI: 10.1039/D0CE00157K, Paper
Xiangyang Li, Jianjun Ding, Pujing Chen, Kang Zheng, Lin Chen, Xingyou Tian
The interface distribution function is composed mainly of the self-interference item of the first interface F11, the interference term of the first and the second interfaces F12, and the interference term of the first and the third interfaces F13.
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A three-in-one crystal of mixed sized cucurbit[n]uril homologues

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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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Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations

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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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The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d–4f heterometallic compounds

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CrystEngComm, 2020, 22,2998-3004
DOI: 10.1039/D0CE00039F, Paper
Ruirui Wang, Haili Wang, Juan Wang, Feifei Bai, Yue Ma, Licun Li, Qinglun Wang, Bin Zhao, Peng Cheng
For the isomorphic tetranuclear 3d–4f compounds constructed by [M(CN)6]3− linking LnIII-Schiff-base units, the diamagnetic CoIII ions in the system could suppress QTM effectively and obtain a field-induced SMMs behavior.
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A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(II) complexes and their strong fluorescence behaviors

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CrystEngComm, 2020, 22,3005-3019
DOI: 10.1039/D0CE00125B, Paper
Ipsita Mondal, Tanmoy Basak, Snehasis Banerjee, Shouvik Chattopadhyay
A reduced Schiff base used as a fluorescence chemo-sensor for selective detection of zinc(II). Strong fluorescence behaviors of two zinc(II) complexes are correlated with the presence of a rigid hydrogen-bonded network in their solid state structure.
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Lanthanide doped bismuth-based fluoride nanoparticles: controlled synthesis and ratiometric temperature sensing

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00435A, Paper
Pengpeng Lei, Ran An, Chengyu Li, Jing Feng, Hongjie Zhang
Bismuth-based nanoparticles, especially NaBiF4, have attracted extensive attention as hosts of lanthanides (Ln3+) ions and other luminescent ions in recent years. However, controllable synthesis of NaBiF4 nanoparticles remains a challenge....
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Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine – 3- methylsalicylic acid co-crystal

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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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The impact of positional isomerism on electronic and photochromic properties of 1D zinc-based naphthalene diimide coordination polymers

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00025F, Paper
Pengfei Hao, Huihui Zhu, Yue Pang, Junju Shen, Yunlong Fu
The positional isomeric DPNDI ligands can effectively modulate the interfacial contacts of electron donors/acceptors and the efficiency of electronic/photochromic properties.
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Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-Jones–Coulomb atom–atom potentials for the computer simulation of organic condensed matter

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00334D, Paper
Angelo Gavezzotti, Leonardo Lo Presti, Silvia Rizzato
A novel, universal Lennard-Jones–Coulomb (LJC) atom–atom force field parametrization reproduces the experimental sublimation enthalpies of 377 molecular crystals drawn from the CSD.
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Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks

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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

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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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Biological activity tuning of antibacterial urotropine via co-crystallization: synthesis, biological activity evaluation and computational insight

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00226G, Paper
Nida Tabassum, Panayiotis C. Varras, Fiza Arshad, Muhammad I. Choudhary, Sammer Yousuf
Urotropine (1) is a synthetic heterocyclic antibacterial agent.
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Peculiarities of Br⋯Br bonding in crystal structures of polybromides and bromine solvates

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CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00288G, Paper
Anna V. Vologzhanina, Petr A. Buikin, Alexander A. Korlyukov
Analysis of supramolecular associates formed by Br⋯Br interactions in crystals of 204 polybromide and bromine-containing compounds has been carried out.
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Chirality and Stereoisomerism of Organic Multicomponent Crystals in the CSD

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00403K, Paper
Open Access
Eline Grothe, hugo meekes, Rene de Gelder
With the current interest in multicomponent crystals containing chiral residues, a wide variety of studies could benefit from a comprehensive inventory of chirality in multicomponent crystals. We combined computational approaches...
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N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00495B, Paper
John D. Wallis, Alun Christopher Garner, Songjie Yang
Methyl 2,6-diaminobenzoate and its bis-triphenylboron complex show hydrogen bonding from NH2 groups to both oxygen atoms of the carboxylic ester, and there is little difference in the lengths of these...
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Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts

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CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00136H, Paper
Guoshun Zhang, xiaoqing shang, wei han, lifeng zhang, guolian ren, Shuqiu Zhang
As a quinazolinocarboline alkaloid, dehydroevodiamine (DHED) derived from Evodia rutaecarpa has recently gained attention because it improves memory failure in Alzheimer's mice. However, its solid forms, which have not yet...
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