All Outputs (79)

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.

Synthesis and crystal structure of N,N `-bis(4-chlorophenyl)thiourea N,N-dimethylformamide (2021)
Journal Article
Odularu, A. T., Ajibade, P. A., Oyedeji, O. O., Mbese, J. Z., & Puschmann, H. (2021). Synthesis and crystal structure of N,N `-bis(4-chlorophenyl)thiourea N,N-dimethylformamide. https://doi.org/10.1515/chem-2020-0061

Bidentate Schiff base coordinated square planer nickel(II) complexes: Synthesis, crystal structure, DFT/TD-DFT calculation and DNA/protein binding (2021)
Journal Article
Patra, A., Puschmann, H., & Manna, S. C. (2021). Bidentate Schiff base coordinated square planer nickel(II) complexes: Synthesis, crystal structure, DFT/TD-DFT calculation and DNA/protein binding. Polyhedron, 201, Article 115146. https://doi.org/10.1016/j.poly.2021.115146

Two 1D Silver(I) Coordination Polymers with 1,3-Bis(4-pyridyl) propane and Aromatic Carboxylate Anions: Synthesis, Structure and Photocatalytic Behavior (2021)
Journal Article
Kulovi, S., Nandi, L., Puschmann, H., Zangrando, E., & Dalai, S. (2021). Two 1D Silver(I) Coordination Polymers with 1,3-Bis(4-pyridyl) propane and Aromatic Carboxylate Anions: Synthesis, Structure and Photocatalytic Behavior. ChemistrySelect, 6(34), 8950-8958. https://doi.org/10.1002/slct.202102197

A binuclear chloride bridged Cu(II) and a mononuclear Ni(II) complex: Synthesis, crystal structure, photo catalytic and biological studies (2021)
Journal Article
Jana, K., Maity, R., Puschmann, H., Mitra, A., Ghosh, R., Debnath, S. C., Shukla, A., Mahanta, A. K., Maity, T., & Samanta, B. C. (2021). A binuclear chloride bridged Cu(II) and a mononuclear Ni(II) complex: Synthesis, crystal structure, photo catalytic and biological studies. Inorganica Chimica Acta, 515, Article 120067. https://doi.org/10.1016/j.ica.2020.120067

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.

Teaching a large-scale crystallography school with Zoom Webinar (2021)
Journal Article
Ferrara, J. D., Cochran, A., Del Campo, M., Gob, C. R., Le Magueres, P., Meyer, M., Puschmann, H., Schurmann, C., Stanley, A., Swepston, P. N., Tripathi, A., White, F., & Wojciechowski, J. (2021). Teaching a large-scale crystallography school with Zoom Webinar. Structural Dynamics, 8(1), Article 010401. https://doi.org/10.1063/4.0000078

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

Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co-II-Co(III )complexes (2020)
Journal Article
Paul, A., Viciano-Chumillas, M., Puschmann, H., Cano, J., & Manna, S. C. (2020). Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co-II-Co(III )complexes. Dalton Transactions, 49(27), 9516-9528. https://doi.org/10.1039/d0dt00588f

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., Genoni, A., Malaspina, L. A., Jayatilaka, D., Spencer, J. L., White, F., Grundkötter-Stock, B., Steinhauer, S., Lentz, D., Puschmann, H., & 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.

Double mu(2)-(phenoxido)-bridged dinuclear and polynuclear nickel(II) complexes: Magnetic properties and DNA/protein interaction (2019)
Journal Article
Paul, A., Figuerola, A., Puschmann, H., & Manna, S. C. (2019). Double mu(2)-(phenoxido)-bridged dinuclear and polynuclear nickel(II) complexes: Magnetic properties and DNA/protein interaction. Polyhedron, 157, 39-48. https://doi.org/10.1016/j.poly.2018.09.023

Tetranuclear Schiff base copper(II) complexes: Syntheses, crystal structure, DNA/protein binding and catecholase-like activity (2019)
Journal Article
Manna, S., Zangrando, E., Puschmann, H., & Manna, S. C. (2019). Tetranuclear Schiff base copper(II) complexes: Syntheses, crystal structure, DNA/protein binding and catecholase-like activity. Polyhedron, 162, 285-292. https://doi.org/10.1016/j.poly.2019.01.057

Synthesis, structure, DNA/protein binding, molecular docking and in vitro anticancer activity of two Schiff base coordinated copper(II) complexes (2019)
Journal Article
Manna, S. C., Mistri, S., Patra, A., Mahish, M. K., Saren, D., Manne, R. K., Santra, M. K., Zangrando, E., & Puschmann, H. (2019). Synthesis, structure, DNA/protein binding, molecular docking and in vitro anticancer activity of two Schiff base coordinated copper(II) complexes. Polyhedron, 171, 77-85. https://doi.org/10.1016/j.poly.2019.06.049

OLEX2: TEACHING NEW SOFTWARE OLD AND NEW TRICKS (2019)
Journal Article
Puschmann, H., & Dolomanov, O. (2019). OLEX2: TEACHING NEW SOFTWARE OLD AND NEW TRICKS. Acta Crystallographica Section A: Foundations and Advances, 75, https://doi.org/10.1107/s2053273319087904

Discrete and 1D Polymeric Copper(II) Complexes of Tetranuclear Cubane-like Units: Structural and Magnetic Characterization (2018)
Journal Article
Manna, S. C., Manna, S., Mistri, S., Patra, A., Zangrando, E., Puschmann, H., Goddard, P., & Ghannadzadeh, S. (2018). Discrete and 1D Polymeric Copper(II) Complexes of Tetranuclear Cubane-like Units: Structural and Magnetic Characterization. ChemistrySelect, 3(34), 9885-9891. https://doi.org/10.1002/slct.201801677

DNA/Protein Binding, Molecular Docking and Cytotoxicity Studies of Piperazinyl-Moiety-Based Copper(II) Complexes (2018)
Journal Article
Mistri, S., Patra, A., Santra, M. K., Paul, D., Zangrando, E., Puschmann, H., & Manna, S. C. (2018). DNA/Protein Binding, Molecular Docking and Cytotoxicity Studies of Piperazinyl-Moiety-Based Copper(II) Complexes. ChemistrySelect, 3(31), 9102-9112. https://doi.org/10.1002/slct.201801757