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Effect of ruthenium(II) complexes on MDA-MB-231 cells and lifespan/tumor growth in gld-1mutant, Daf-16 TF and stress productive genes: A perspective study. (2024)
Journal Article
Nandhini, S., Thiruppathi, G., Ranjani, M., Puschmann, H., Ravi, M., Sundararaj, P., & Prabhakaran, R. (2024). Effect of ruthenium(II) complexes on MDA-MB-231 cells and lifespan/tumor growth in gld-1mutant, Daf-16 TF and stress productive genes: A perspective study. Journal of Inorganic Biochemistry, 257, Article 112580. https://doi.org/10.1016/j.jinorgbio.2024.112580

Pincer type coumarin based N-substituted semicarbazone ligands HL and their corresponding ruthenium(II) complexes (1-4) were synthesized, analyzed and confirmed by various spectro analytical techniques. The molecular structure of the ligand HL and... Read More about Effect of ruthenium(II) complexes on MDA-MB-231 cells and lifespan/tumor growth in gld-1mutant, Daf-16 TF and stress productive genes: A perspective study..

Refinement of anomalous dispersion correction parameters in single-crystal structure determinations (2022)
Journal Article
Meurer, F., Dolomanov, O. V., Hennig, C., Peyerimhoff, N., Kleemiss, F., Puschmann, H., & Bodensteiner, M. (2022). Refinement of anomalous dispersion correction parameters in single-crystal structure determinations. IUCrJ, 9(5), https://doi.org/10.1107/s2052252522006844

Correcting for anomalous dispersion is part of any refinement of an X-ray dif­fraction crystal structure determination. The procedure takes the inelastic scattering in the diffraction experiment into account. This X-ray absorption effect is specific... Read More about Refinement of anomalous dispersion correction parameters in single-crystal structure determinations.

The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges (2022)
Journal Article
Meurer, F., von Essen, C., Kühn, C., Puschmann, H., & Bodensteiner, M. (2022). The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges. IUCrJ, 9(3), https://doi.org/10.1107/s2052252522002147

The crystalline sponge method facilitates the X-ray structure determination of samples that do not crystallize or are too sparsely available to afford viable crystallization. By including these materials in a metal–organic framework, the structure of... Read More about The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges.

Vanishing of the atomic form factor derivatives in non-spherical structural refinement – a key approximation scrutinized in the case of Hirshfeld atom refinement (2021)
Journal Article
Midgley, L., Bourhis, L. J., Dolomanov, O. V., Grabowsky, S., Kleemiss, F., Puschmann, H., & Peyerimhoff, N. (2021). Vanishing of the atomic form factor derivatives in non-spherical structural refinement – a key approximation scrutinized in the case of Hirshfeld atom refinement. Acta Crystallographica Section A: Foundations and Advances, 77(6), 519-533. https://doi.org/10.1107/s2053273321009086

When calculating derivatives of structure factors, there is one particular term (the derivatives of the atomic form factors) that will always be zero in the case of tabulated spherical atomic form factors. What happens if the form factors are non-sph... Read More about Vanishing of the atomic form factor derivatives in non-spherical structural refinement – a key approximation scrutinized in the case of Hirshfeld atom refinement.

Structural and antioxidant properties of guanylhydrazinium pyrazine-2-carboxylate (2021)
Journal Article
Packiaraj, S., Kousalya, L., Pushpaveni, A., Poornima, S., Puschmann, H., & Govindarajan, S. (2021). Structural and antioxidant properties of guanylhydrazinium pyrazine-2-carboxylate. Journal of Materials Science: Materials in Electronics, 32(6), 7704-7718. https://doi.org/10.1007/s10854-021-05489-2

In general, molecules with certain functional groups such as amine (-NH2) and carboxyl (-COOH) can promote the growth of co-crystals leading to the formation of supramolecular networks. However, if the differences in the pKa values of the two molecul... Read More about Structural and antioxidant properties of guanylhydrazinium pyrazine-2-carboxylate.

Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co-Ni and Co-Zn) complexes of Schiff bases prepared from alpha-ketoglutaric acid and ethyl carbazate (2020)
Journal Article
Parveen, S., Nguyen, H. H., Premkumar, T., Puschmann, H., & Govindarajan, S. (2020). Nano spinel cobaltites and their catalytic and electrochemical properties: facile synthesis of metal (Co, Ni, and Zn) and mixed metal (Co-Ni and Co-Zn) complexes of Schiff bases prepared from alpha-ketoglutaric acid and ethyl carbazate. New Journal of Chemistry, 44(29), 12729-12740. https://doi.org/10.1039/d0nj01016b

Polymorphism in [Ag(bpetan)](n) Coordination Polymers with Nitrate and Isophthalate Anions: Photocatalytic and Antibacterial Activity, Hemolysis Assay and Study of Cytotoxicity (2020)
Journal Article
Kulovi, S., Pradhan, A., (Choudhury), S. M., Puschmann, H., Zangrando, E., & Dalai, S. (2020). Polymorphism in [Ag(bpetan)](n) Coordination Polymers with Nitrate and Isophthalate Anions: Photocatalytic and Antibacterial Activity, Hemolysis Assay and Study of Cytotoxicity. ChemistrySelect, 5(11), 3337-3346. https://doi.org/10.1002/slct.202000291

Accurate Crystal Structures and Chemical Properties from NoSpherA2 (2020)
Journal Article
Kleemiss, F., Dolomanov, O. V., Bodensteiner, M., Peyerimhoff, N., Midgley, L., Bourhis, L. J., …Grabowsky, S. (2021). Accurate Crystal Structures and Chemical Properties from NoSpherA2. Chemical Science, 12, 1675-1692. https://doi.org/10.1039/d0sc05526c

The relationship between the structure and the properties of a drug or material is a key concept of chemistry. Knowledge of the three-dimensional structure is considered to be of such importance that almost every report of a new chemical compound is... Read More about Accurate Crystal Structures and Chemical Properties from NoSpherA2.

Supramolecular Self-Assembly, DNA interaction, Antibacterial and Cell Viability studies of Cu(II) and Ni(II) Complexes derived from NNN donor Schiff Base ligand (2018)
Journal Article
Jana, K., Das, S., Puschmann, H., Debnath, S. C., Shukla, A., Mahanta, A. K., …Samanta, B. C. (2019). Supramolecular Self-Assembly, DNA interaction, Antibacterial and Cell Viability studies of Cu(II) and Ni(II) Complexes derived from NNN donor Schiff Base ligand. Inorganica Chimica Acta, 487, 128-137. https://doi.org/10.1016/j.ica.2018.12.007

In the present study, synthesis of two complexes, namely [Cu(L)Cl2] (1) and [Ni(L)Cl(H2O)2)]Cl (2), where L = piperidin-2-yl-N-(1-(pyridin-2-yl) ethylidene)methanamine were reported along with their characterization by spectroscopic techniques. The c... Read More about Supramolecular Self-Assembly, DNA interaction, Antibacterial and Cell Viability studies of Cu(II) and Ni(II) Complexes derived from NNN donor Schiff Base ligand.

Synthesis, crystal structure and DNA/protein binding of tetranuclear Cu(II) complexes with a double-open-cubane like core framework (2018)
Journal Article
Paul, A., Puschmann, H., & Manna, S. C. (2018). Synthesis, crystal structure and DNA/protein binding of tetranuclear Cu(II) complexes with a double-open-cubane like core framework. Polyhedron, 155, 447-456. https://doi.org/10.1016/j.poly.2018.08.020

The copper(II) complexes [Cu4(L)2(HL)2(H2O)2]∙2(ClO4)∙2(H2O)∙DMF (1) and [Cu4(L)2(HL)2(H2O)2]∙(tp) (2) [H2L = 2-ethoxy-6-[(1-hydroxymethyl-propylimino)-methyl]-phenol; tp = terephthalate] have been synthesized and characterized by single crystal X-ra... Read More about Synthesis, crystal structure and DNA/protein binding of tetranuclear Cu(II) complexes with a double-open-cubane like core framework.

Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system (2018)
Journal Article
Tsoureas, N., Green, J. C., Cloke, F. G. N., Puschmann, H., Roe, S. M., & Tizzard, G. (2018). Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system. Chemical Science, 9(22), 5008-5014. https://doi.org/10.1039/c8sc01127c

The reaction of the syn-bimetallic bis(pentalene)dititanium complex Ti2(μ:η5,η5-Pn†)2 (Pn† = C8H4(1,4-SiiPr3)2) 1 with carbon suboxide (O[double bond, length as m-dash]C[double bond, length as m-dash]C[double bond, length as m-dash]C[double bond, len... Read More about Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.

Synthesis, Crystal structure and Biological studies of New Hydrazone ligand, 2-(Methoxycarbonyl-hydrazono)-pentanedioic acid and its Silver(I) complex (2018)
Journal Article
Parveen, S., Govindarajan, S., Puschmann, H., & Revathi, R. (2018). Synthesis, Crystal structure and Biological studies of New Hydrazone ligand, 2-(Methoxycarbonyl-hydrazono)-pentanedioic acid and its Silver(I) complex. Inorganica Chimica Acta, 477, 66-74. https://doi.org/10.1016/j.ica.2018.02.022

A new hydrazone ligand (2-(Methoxycarbonyl-hydrazono)-pentanedioic acid, H2L), derived from methyl carbazate and α-ketoglutaric acid, and its Ag(I) complex [Ag(HL)(H2L)] were synthesised and characterised by elemental, spectral and thermal analyses.... Read More about Synthesis, Crystal structure and Biological studies of New Hydrazone ligand, 2-(Methoxycarbonyl-hydrazono)-pentanedioic acid and its Silver(I) complex.

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2 (2018)
Journal Article
Fugel, M., Jayatilaka, D., Hupf, E., Overgaard, J., Hathwar, V. R., Macchi, P., …Grabowsky, S. (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), 32-44. https://doi.org/10.1107/s2052252517015548

Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes... Read More about Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

The effect of incorporating carboxylic acid functionalities into 2,2 `-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity (2017)
Journal Article
Kamatchi, T. S., Chitrapriya, N., Kumar, S. L. A., Jung, J. Y., Puschmann, H., Fronczek, F. R., & Natarajan, K. (2017). The effect of incorporating carboxylic acid functionalities into 2,2 `-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity. RSC Advances, 7(27), 16428-16443. https://doi.org/10.1039/c7ra00425g

A combined experimental and theoretical investigation on the Cu(II) sensing behavior of a piperazinyl moiety based ligand, and catecholase and biological activities of its Cu(II) complex in combination with pyridine 2,5-dicarboxylate (2016)
Journal Article
Mistri, S., Paul, A., Bhunia, A., Manne, R. K., Santra, M. K., Puschmann, H., & Manna, S. C. (2016). A combined experimental and theoretical investigation on the Cu(II) sensing behavior of a piperazinyl moiety based ligand, and catecholase and biological activities of its Cu(II) complex in combination with pyridine 2,5-dicarboxylate. Polyhedron, 104, 63-72. https://doi.org/10.1016/j.poly.2015.11.030

Synthesis, crystal structure, DFT/TDDFT calculation, photophysical properties and DNA binding studies of morpholino moiety ligand based two Cu(II) complexes in combination with carboxylates (2016)
Journal Article
Paul, A., Mistri, S., Bhunia, A., Manna, S., Puschmann, H., & Manna, S. C. (2016). Synthesis, crystal structure, DFT/TDDFT calculation, photophysical properties and DNA binding studies of morpholino moiety ligand based two Cu(II) complexes in combination with carboxylates. RSC Advances, 6(65), 60487-60501. https://doi.org/10.1039/c6ra05570b

Synthesis, Characterization and Crystal Structure of a New 3D Cadmium(II) Coordination Polymer: Binding Interaction with DNA and Double Stranded RNA (2016)
Journal Article
Jana, S. K., Mandal, A. K., Seth, S. K., Puschmann, H., Hossain, M., & Dalai, S. (2016). Synthesis, Characterization and Crystal Structure of a New 3D Cadmium(II) Coordination Polymer: Binding Interaction with DNA and Double Stranded RNA. Journal of Inorganic and Organometallic Polymers and Materials, 26(4), 806-818. https://doi.org/10.1007/s10904-016-0383-x

Three New Co-ordination Polymers of Zinc(II) and Cadmium(II) with Dicarboxylate and Bipyridine Ligands: Synthesis, Structure and Luminescence Study (2015)
Journal Article
Hazari, D., Jana, S. K., Puschmann, H., Zangrando, E., & Dalai, S. (2015). Three New Co-ordination Polymers of Zinc(II) and Cadmium(II) with Dicarboxylate and Bipyridine Ligands: Synthesis, Structure and Luminescence Study. Journal of Inorganic and Organometallic Polymers and Materials, 25(5), 1151-1159. https://doi.org/10.1007/s10904-015-0223-4

Synthesis and X-ray structure of a new zinc(II) coordination polymer: interaction with DNA and double stranded RNA and elucidation of the molecular aspects of the binding to bovine serum albumin (2014)
Journal Article
Jana, S. K., Seth, S. K., Puschmann, H., Hossain, M., & Dalai, S. (2014). Synthesis and X-ray structure of a new zinc(II) coordination polymer: interaction with DNA and double stranded RNA and elucidation of the molecular aspects of the binding to bovine serum albumin. RSC Advances, 4(101), 57855-57868. https://doi.org/10.1039/c4ra06588c

Synthesis and structures of (13-hydroxylamino-5,7,7,13-tetramethyl-1,4,8,11-tetraazacyclotetradec-4- ene-kappa(4))nickel(II) tetrachlorozincate(II) and (13-azonium-5,5,7,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane-kappa (4))nickel(II) tetrachlorozincate(II) chloride 2.25 water (2009)
Journal Article
Curtis, N. F., Puschmann, H., & Robinson, W. T. (2009). Synthesis and structures of (13-hydroxylamino-5,7,7,13-tetramethyl-1,4,8,11-tetraazacyclotetradec-4- ene-kappa(4))nickel(II) tetrachlorozincate(II) and (13-azonium-5,5,7,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane-kappa (4))nickel(II) tetrachlorozincate(II) chloride 2.25 water. Polyhedron, 28(14), 2927-2932. https://doi.org/10.1016/j.poly.2009.06.084

On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complex (2006)
Journal Article
Thompson, A. L., Parker, D., Fulton, D. A., Howard, J. A., Pandya, S. U., Puschmann, H., …Aime, S. (2006). On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complex. Dalton Transactions, 5605-5616. https://doi.org/10.1039/b606206g