Journal: Acta Crystallographica Section E: Crystallographic Communications

Article Title: Packing polymorphism in the structure of trans -aqua­[ N , N ′-bis­(salicyl­idene)ethane-1,2-di­amine-κ 4 O , N , N ′, O ′]chlorido­manganese(III) monohydrate

doi: 10.1107/S2056989018015694

Figure Lengend Snippet: UV–vis spectrum of the title polymorph dissolved in DMSO. The experimental spectrum (red line) is fitted with Gaussian functions for which maxima are indicated. The sum of these Gaussian functions affords the theoretical spectrum (dotted blue line). The visible range of the spectrum is displayed in the inset, using a scale allowing the d – d transitions to be assessed, fitted with two Gaussian functions, giving a maximum at λ = 598 nm.

Article Snippet: The d – d band is satisfactorily fitted with two Gaussian functions (Fig. 4 , inset; OriginLab Corp., 2017 ), and can be assigned to the 5 E g → 5 T 2g transition, consistent with the distorted octa hedral ligand field observed for the metal centre in the solid state.

Techniques:

Journal: Acta Crystallographica Section E: Crystallographic Communications

Article Title: Different packing motifs mediated by weak inter­actions and polymorphism in the crystal structures of five 2-(benzyl­idene)benzosuberone derivatives

doi: 10.1107/S2056989019014245

Figure Lengend Snippet:

Article Snippet: Absorption correction , Multi-scan ( CrysAlis PRO ; Rigaku, 2017 ) , Gaussian ( CrysAlis PRO ; Rigaku, 2017 ) , Gaussian ( CrysAlis PRO ; Rigaku, 2017 ) .

Techniques:

Journal: Acta Crystallographica Section E: Crystallographic Communications

Article Title: Different packing motifs mediated by weak inter­actions and polymorphism in the crystal structures of five 2-(benzyl­idene)benzosuberone derivatives

doi: 10.1107/S2056989019014245

Figure Lengend Snippet:

Article Snippet: Absorption correction , Multi-scan ( CrysAlis PRO ; Rigaku, 2017 ) , Gaussian ( CrysAlis PRO ; Rigaku, 2017 ) , Gaussian ( CrysAlis PRO ; Rigaku, 2017 ) .

Techniques:

Journal: ACS Omega

Article Title: Insights into the Mechanism of CRISPR/Cas9-Based Genome Editing from Molecular Dynamics Simulations

doi: 10.1021/acsomega.2c05583

Figure Lengend Snippet: Progress of Molecular Dynamics (MD) Simulation-Based Studies on the CRISPR/Cas9 System, the MD System Used, the Methodology Adopted, Their Inferences Obtained, and the Supporting Experimental Studies

Article Snippet: Palermo et al. in 2017 performed Gaussian-accelerated Molecular Dynamics (GaMD) and targeted Molecular Dynamics (tMD) and demonstrated the Cas9 conformational change in response to sgRNA binding in atomic detail.

Techniques: CRISPR, Sequencing, Binding Assay, Cleavage Assay, Derivative Assay, Activation Assay, RNA Binding Assay, Structural Proteomics, Mutagenesis, Cryo-EM Sample Prep, Modification, Isolation, In Vitro, Activity Assay, Variant Assay, Protein-Protein interactions, Depletion Assay, DNA Sequencing