Results 71 to 80 of about 153,560 (299)

Cytenamide trifluoroacetic acid solvate [PDF]

Acta Crystallographica Section E Structure Reports Online, 2008
Cytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these are linked by O—H O and N—H O hydrogen bonds to form an R2 2(8 ...
Johnston, Andrea, Florence, Alastair J., Fabianni, Francesca J. A., Shankland, Kenneth, Bedford, Colin T., Bardin, Julie   +5 more
openaire   +7 more sources

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

FEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva, Puspa Kunwar, Md Ibnul Rifat Rahman, Joanna Koryo Kwao, Nathan Lehman, Zihan Zhang, Trenton Paul, Claire Cheng, Nicholas Truex, Hui‐Ting Lee, Jun Zhang   +10 more
wiley   +1 more source

The influence of the grafted aryl groups on the solvation properties of the graphyne and graphdiyne - a MD study

Open Chemistry, 2019
The mechanism of the adsorption and grafting of diazonium cations onto the surface of graphyne and graphdiyne was investigated using Density Functional Theory (DFT).
Berisha Avni
doaj   +1 more source

Mini-grand canonical ensemble: chemical potential in the solvation shell

, 2017
Quantifying the statistics of occupancy of solvent molecules in the vicinity of solutes is central to our understanding of solvation phenomena. Number fluctuations in small `solvation shells' around solutes cannot be described within the macroscopic ...
Asthagiri, Dilip, Bansal, Artee, Chapman, Walter G., Dixit, Purushottam D.   +3 more
core   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

FEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li, Pedro A. Sánchez‐Murcia, Bernd Nidetzky   +2 more
wiley   +1 more source

Electrostatic fluctuations in cavities within polar liquids and thermodynamics of polar solvation

, 2008
We present the results of numerical simulations of fluctuations of the electrostatic potential and electric field inside cavities created in the fluid of dipolar hard spheres.
C. J. F. Böttcher, Daniel R. Martin, Dmitry V. Matyushov, J. P. Hansen, L. D. Landau, M. P. Allen, T. L. Beck   +6 more
core   +1 more source

Polymer Dissolution Model: An Energy Adaptation Of The Critical Ionization Theory [PDF]

, 2009
The current scale of features size in the microelectronics industry has reached the point where molecular level interactions affect process fidelity and produce excursions from the continuum world like line edge roughness (LER).
Bonnecaze, R. T., Chauhan, S., Mack, C., Scheer, S., Somervell, M., Willson, C. G.   +5 more
core   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Structural and Electronic Properties of Novel Azothiophene Dyes: A Multilevel Study Incorporating Explicit Solvation Effects

Molecules
Among azobenzene derivatives, azothiophenes represent a relatively recent family of compounds that exhibit similar characteristics as dyes and photoreactive systems.
Laura Vautrin, Alexandrine Lambert, Faouzi Mahdhaoui, Riad El Abed, Taoufik Boubaker, Francesca Ingrosso   +5 more
doaj   +1 more source

Concentration Effects in the Interaction of Monoclonal Antibodies (mAbs) with their Immediate Environment Characterized by EPR Spectroscopy

Molecules, 2019
Monoclonal antibodies (mAbs) are often needed and applied in high concentration solutions, >100 mg/mL. Due to close intermolecular distances between mAbs at high concentrations (~10−20 nm at 200 mg/mL), intermolecular interactions between mAbs ...
Haleh H. Haeri, Jacob Blaffert, Florian A. Schöffmann, Michaela Blech, Josef Hartl, Patrick Garidel, Dariush Hinderberger   +6 more
doaj   +1 more source