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CCDC 2057270: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates"
(The Cambridge Crystallographic Data Centre (CCDC), 2021)
UREZID : 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-methyl-6-oxo-1,6-dihydropyridin-2-olate tetrahydrate Space Group: P 1 (2), Cell: a 7.4411(15)Å b 10.581(2)Å c 11.235(2)Å, α 108.96(3)° β 96.14(3)° γ 107.41(3)°
Supplementary information for: "Can a benthic diatom community complement chemical analyses and discriminate between disturbed and undisturbed saline wetland habitats?"
(Springer, 2021)
Supplementary table 1. The relative abundance (%) of recorded diatom species in seven soda pans
Supporting material for: "In silico design of a new Zn-triazole based metal-organic framework for CO2 and H2O adsorption"
(American Institute of Physics (AIP Publishing), 2021)
Figure S1: Convergence of the total energy with plane wave cut-off and k point sampling mesh for MAF-66. Figure S2: Pore size distributions of MAF-66 (left) and ZTF (right). Figure S3: DFT optimized structures of parts of ...
Supplementary material for: "Characterization of potential probiotic strain, L. reuteri B2, and its microencapsulation using alginate-based biopolymers"
(Elsevier, 2021)
Preparation of materials for encapsulation (Materials, Laboratory isolation of ricinoleic acid, Laboratory preparation of starch maleate monoester, Characterization, Statistical analysis). Additional results (Antimicrobial ...
Supplementary material for: "Antitumor potential of cisplatin loaded into SBA-15 mesoporous silica nanoparticles against B16F1 melanoma cells: in vitro and in vivo studies"
(Elsevier, 2021)
Clinical parameters of disease.
Supporting information for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives"
(Switzerland : Wiley-Blackwell, 2021)
Experimental Section: 1.1. Chemicals. 1.2. Compounds. 1.3. Evaluation of deoxyribonuclease I inhibition. 1.4. In silico molecular and ADMET properties. 1.5. In silico PAINS and promiscuity assessment. 1.6. Molecular docking. ...
Supporting data for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives". Animation of molecular dynamics simulations I.
(Switzerland : Wiley-Blackwell, 2021)
Animation of molecular dynamics simulations: 1‐[1‐(4‐methoxyphenyl)pyrrolidin‐2‐yl]propan‐2‐one / DNase I
Supporting data for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives". Animation of molecular dynamics simulations II.
(Switzerland : Wiley-Blackwell, 2021)
Animation of molecular dynamics simulations: 1‐[1‐(3,4,5‐trimethoxyphenyl)pyrrolidin‐2‐yl]propan‐2‐one / DNase I
Supplementary material to: "Ph-responsive release of ruthenium metallotherapeutics from mesoporous silica-based nanocarriers"
(MDPI, 2021)
Figure S1. Full range FTIR spectra of the synthesized materials. Figure S2. Particle size distribution of Ru-modified nanoparticles in water (top) and culture medium (bottom). Figure S3. EDS chromatograms of (a) MSN-H1[Ru]; ...