Tanusree Kar

Bio: Tanusree Kar is an academic researcher from Indian Association for the Cultivation of Science. The author has contributed to research in topics: Crystal & Rietveld refinement. The author has an hindex of 31, co-authored 106 publications receiving 3037 citations. Previous affiliations of Tanusree Kar include Indian National Association.

Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]

Abstract: Mononuclear copper(II) and nickel(II) complexes, [(C5H6N2)Cu(IDA)(H2O)] (1) and (C5H7N2)2[Ni(IDA)2(H2O)] (2) [H2IDA = iminodiacetic acid; C5H6N2 = 4-aminopyridine; C5H7N2 = protonated 2-aminopyridine], have been synthesized, and their crystal structures were solved using single crystal X-ray diffraction data. A detailed analysis of Hirshfeld surfaces and fingerprint plots facilitates a comparison of intermolecular interactions, which are crucial in building different supramolecular architectures. Molecules are linked by a combination of N–H···O, O–H···O and C–H···O hydrogen bonds into two-dimensional framework, whose formation is readily analyzed in terms of substructures of lower dimensionality with zero finite zero-dimensional dimeric units as the building blocks within the structures. Moreover, the aromatic molecules that are engaged in lone pair···π interactions with the noncoordinated carbonyl moieties play a crucial role in stabilizing the self-assembly process observed for both complexes. Intricate...

Use of π–π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses

Abstract: Two chromone derivatives C11H10O3 (1) and C11H10O2 (2) have been synthesized and characterized by X-ray structural studies with a detailed analysis of the Hirshfeld surfaces and fingerprint plots facilitating a comparison of intermolecular interactions in building different supramolecular architectures. The title compounds are associated through π–stacking interactions and the linear stacking of π–π forces can be thought as the influencing agent for the organization of the title compounds into hydrogen bonded supramolecular layers and are responsible as well for the strengthening of the molecular assembly. Investigation of the intermolecular interactions and crystal packing via Hirshfeld surface analysis reveals that more than two-thirds of the close contacts are associated with weak interactions. The fingerprint plots demonstrate that these weak interactions are important for both local and crystal packing. A comparison of the Hirshfeld surface in the compounds with similar substituted chromone derivatives in the Cambridge Structural Database (CSD) has been presented.

On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses

Abstract: Four organic compounds based on substituted coumarin derivatives (1–4) have been synthesized and characterized by X-ray structural studies with a detailed analysis of Hirshfeld surface and fingerprint plots facilitating a comparison of intermolecular interactions in building different supramolecular architectures. The X-ray study reveals that in the molecular packing C–H···O, π···π, and carbonyl (lone pair)···π interactions cooperatively take part. The recurring feature of the self-assembly in all the compounds is the appearance of the molecular ribbon through weak hydrogen bonding. These hydrogen bonded ribbons further stacked into molecular layers by π···π forces. The mode of cooperativity of the weak C–H···O and π···π forces is such that they operate in mutually perpendicular directions — hydrogen bonding in the plane of the molecule at their edges and π-stacking perpendicular to the molecular plane. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analyses reveals...

Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses

Abstract: The crystallographic study of four acetophenone derivatives (1–4) is reported in the context of crystal engineering with a detailed analysis of Hirshfeld surfaces and fingerprint plots facilitating a comparison of intermolecular interactions in building different supramolecular self-assemblies. The X-ray study reveals that molecules of 1–4 are linked by cooperative weak C–H⋯O, C–H⋯π and π⋯π stacking interactions which are responsible for the formation and strengthening of molecular assembly. The substituting benzyl units are used as a potential scaffold for designing supramolecular self-assemblyvia C–H⋯π forces. Investigation of Hirshfeld surface analysis reveals a much more detailed scrutiny in comparison to these weak forces experienced by each compound. A comparison of Hirshfeld surfaces in the title derivatives with similar substituted and unsubstituted structures retrieved from the Cambridge Structural Database (CSD) has been presented.

Synthesis, Growth, and Characterization of l-Arginine Acetate Crystal: A Potential NLO Material

Abstract: Single crystals of nonlinear optical material l-arginine acetate (LAA) (C6H14N4O2·CH3COOH), space group P21, were successfully grown for the first time by the temperature-lowering method and also by the slow evaporation method at constant temperature (30 °C) from its aqueous solution with pH at 6 and dimension of 21 × 15 × 3 mm3. Initially, solubility tests were carried out for four solvents such as water, water and methanol, water and ethanol, and water and acetone. Among the four solvents, the solubility of LAA was found to be the highest in water, so crystallization of LAA was done from its aqueous solution. Morphological analysis reveals that the crystal is a polyhedron with 16 developed faces with major face forms {100}, {001}, and {102} (pinacoids) parallel to the polar axis. As grown crystals were characterized by chemical analysis, density measurement, and X-ray powder diffraction studies. Infrared spectroscopy, thermogravimetric analysis, and differential thermal analysis measurements were perfor...

Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

Abstract: Approaches, Derivatives and Applications Vasilios Georgakilas,† Michal Otyepka,‡ Athanasios B. Bourlinos,‡ Vimlesh Chandra, Namdong Kim, K. Christian Kemp, Pavel Hobza,‡,§,⊥ Radek Zboril,*,‡ and Kwang S. Kim* †Institute of Materials Science, NCSR “Demokritos”, Ag. Paraskevi Attikis, 15310 Athens, Greece ‡Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc, 17. listopadu 12, 771 46 Olomouc, Czech Republic Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo naḿ. 2, 166 10 Prague 6, Czech Republic

X-Ray Diffraction

Abstract: Interpretation of X-ray Powder Diffraction Patterns . By H. Lipson and H. Steeple. Pp. viii + 335 + 3 plates. (Mac-millan: London; St Martins Press: New York, May 1970.) £4.

Aromatic rings in chemical and biological recognition: energetics and structures.

Abstract: This review describes a multidimensional treatment of molecular recognition phenomena involving aromatic rings in chemical and biological systems. It summarizes new results reported since the appearance of an earlier review in 2003 in host-guest chemistry, biological affinity assays and biostructural analysis, data base mining in the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB), and advanced computational studies. Topics addressed are arene-arene, perfluoroarene-arene, S⋅⋅⋅aromatic, cation-π, and anion-π interactions, as well as hydrogen bonding to π systems. The generated knowledge benefits, in particular, structure-based hit-to-lead development and lead optimization both in the pharmaceutical and in the crop protection industry. It equally facilitates the development of new advanced materials and supramolecular systems, and should inspire further utilization of interactions with aromatic rings to control the stereochemical outcome of synthetic transformations.

Recent progress in cellulose nanocrystals: sources and production

Abstract: Cellulose nanocrystals, a class of fascinating bio-based nanoscale materials, have received a tremendous amount of interest both in industry and academia owing to its unique structural features and impressive physicochemical properties such as biocompatibility, biodegradability, renewability, low density, adaptable surface chemistry, optical transparency, and improved mechanical properties. This nanomaterial is a promising candidate for applications in fields such as biomedical, pharmaceuticals, electronics, barrier films, nanocomposites, membranes, supercapacitors, etc. New resources, new extraction procedures, and new treatments are currently under development to satisfy the increasing demand of manufacturing new types of cellulose nanocrystals-based materials on an industrial scale. Therefore, this review addresses the recent progress in the production methodologies of cellulose nanocrystals, covering principal cellulose resources and the main processes used for its isolation. A critical and analytical examination of the shortcomings of various approaches employed so far is made. Additionally, structural organization of cellulose and nomenclature of cellulose nanomaterials have also been discussed for beginners in this field.

Different preparation methods and properties of nanostructured cellulose from various natural resources and residues: a review

Abstract: The main goal of this article is to provide an overview of recent research in the area of cellulose nanomaterial production from different sources. Due to their abundance, renewability, high strength and stiffness, eco-friendliness and low weight, numerous studies have been reported on the isolation of cellulose nanomaterials from different cellulosic sources and their use in high-performance applications. This report covers an introduction to the definition of nanocellulose as well as the methods used for isolation of nanomaterials (including nanocrystals and nanofibers, CNCs and CNFs, respectively) from various sources. The web-like network structure (CNFs) can be extracted from natural sources using mechanical processes, which include high-pressure homogenization, grinding and refining treatments. Also, rod-like CNCs can be isolated from sources such as wood, plant fibers, agricultural and industrial bioresidues, tunicates and bacterial cellulose using an acid hydrolysis process. Following this, the article focuses on the characterization methods, material properties and structures. Encyclopedic characteristics of CNFs and CNCs obtained from different source materials and/or studies are also included. The current report is a comprehensive review of the literature regarding nanocellulose isolation and demonstrates the potential of cellulose nanomaterials for a wide range of high-tech applications.