Vector correlations in the inelastic scattering of NO(X) with atoms and diatoms Por Walpole, V

“...</p> <p>The second part of this thesis focuses on steric effects (the <em>r - k - k'</em> correlation); the initial orientation of the NO bond axis is controlled using a static electric field, such that the collision partner approaches either the ‘ends’ or the ‘sides’ of the NO molecule. A new quantum mechanical theory is presented to describe the scattering of a symmetric top molecule in the presence of an arbitrarily directed electric field. ...”

Emerging roles for thiol dioxygenases as oxygen sensors Por Gunawardana, DM, Heathcote, KC, Flashman, E

“...Recently, N-terminal cysteinyl dioxygenase enzymes (NCOs) have been identified in plants (plant cysteine oxidases, PCOs), while human 2-aminoethanethiol dioxygenase (ADO) has been shown to act as both an NCO and a small molecule TDO. Although the cupin fold and 3xHis Fe(II)-binding triad seen in the small molecule TDOs are conserved in NCOs, other active site features and aspects of the overall protein architecture are quite different. ...”

Differential patterns of endothelial and leucocyte activation in 'typhus-like' illnesses in Laos and Thailand. Por Paris, D, Jenjaroen, K, Blacksell, S, Phetsouvanh, R, Wuthiekanun, V, Newton, P, Day, N, Turner, G

“...Soluble intercellular adhesion molecule-1 and soluble vascular adhesion molecule-1 levels were not associated significantly with any clinical parameters in scrub or murine typhus patients. ...”

The expression of the growth hormone secretagogue receptor ligand ghrelin in normal and abnormal human pituitary and other neuroendocrine tumors. Por Korbonits, M, Bustin, SA, Kojima, M, Jordan, S, Adams, E, Lowe, D, Kangawa, K, Grossman, AB

“...It is a 28-amino acid peptide with an unusual octanoylated serine 3 at the N-terminal end of the molecule, which is crucial for its biological activity. ...”

A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response. Por Kruidenier, L, Chung, C, Cheng, Z, Liddle, J, Che, K, Joberty, G, Bantscheff, M, Bountra, C, Bridges, A, Diallo, H, Eberhard, D, Hutchinson, S, Jones, E, Katso, R, Leveridge, M, Mander, P, Mosley, J, Ramirez-Molina, C, Rowland, P, Schofield, C, Sheppard, R, Smith, J, Swales, C, Tanner, R, Thomas, P

“...We exploited these structural features to generate the first small-molecule catalytic site inhibitor that is selective for the H3K27me3-specific JMJ subfamily. ...”

Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway. Por Iqbal, A, Arunlanantham, H, Brown, T, Chowdhury, R, Clifton, I, Kershaw, N, Hewitson, K, McDonough, M, Schofield, C

“...Mass spectrometric analyzes on CBG demonstrate that, in addition to one strongly bound AcCoA molecule, a second acyl-CoA molecule can bind to CBG. ...”

Proximity-driven degrader development: insights from CRBN and a validated neo-substrate Por Song, J

“...<p>In the burgeoning field of small molecule-mediated modulation of protein-protein interactions, specifically within the realm of targeted protein degradation, it is imperative to carefully investigate the protein proximity effects and pharmacological perturbations incurred by these molecules. ...”

PREPARATION OF CHF (X1A') BY INFRARED MULTIPHOTON DISSOCIATION AND REACTIONS WITH ALKENES Por Dezarate, A, Martinez, R, Rayo, M, Castano, F, Hancock, G

“...The average vibrational relaxation rate constant, as determined by the same method and confirmed by direct measurements, gives kVT &lt; 10-15 cm3 molecule-1 s-1, while the rotational relaxation rate constant is kRT &gt; 10-10 cm3 molecule-1 s-1. ...”

Affinity, kinetics, and thermodynamics of E-selectin binding to E-selectin ligand-1. Por Wild, M, Huang, M, Schulze-Horsel, U, Van Der Merwe, P, Vestweber, D

“...E-selectin is an endothelial adhesion molecule, which mediates the tethering and rolling of leukocytes on vascular endothelium. ...”

A structural basis for antibody-mediated neutralization of Nipah virus reveals a site of vulnerability at the fusion glycoprotein apex Por Avanzato, V, Oguntuyo, K, Escalera-Zamudio, M, Gutierrez, B, Golden, M, Kosakovsky Pond, S, Pryce, R, Walter, T, Seow, J, Doores, K, Pybus, O, Munster, V, Lee, B, Bowden, T

“...Notably, our domain-specific sequence analysis reveals no evidence of selective pressure at this region of the molecule, suggestive that functional constraints prevent immune-driven sequence variation. ...”

Relationship between duration of brain death and hemodynamic (in)stability on progressive dysfunction and increased immunologic activation of donor kidneys. Por van der Hoeven, J, Molema, G, Ter Horst, G, Freund, R, Wiersema, J, van Schilfgaarde, R, Leuvenink, H, Ploeg, R

“...Expression of cell adhesion molecules [intercellular adhesion molecule-1 (ICAM-1) and vascular cell adhesion molecule-1 (VCAM-1)] and the influx of leukocytes in the kidney assessed the immunologic status of the kidney. ...”

Amine-mediated electrochemical reduction of CO₂ in a nonaqueous, Li-CO₂ battery/ Por Khurram, Aliza

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Exploiting receptor flexibility to improve the accuracy of structure-based virtual screening Por Yaw, Awuni

“...Such selection strategy successfully distinguished high-affinity and low-affinity control molecules added to the molecule libraries. This study provides an applicable approach for reducing false positives and selecting true ligands from molecule libraries. ...”
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Influences of microwave on drug dissolution profiles of mannuronic acid-rich alginate spheroids / Nur Zahirah Mohamad Zin Por Mohamad Zin, Nur Zahirah

“...The present study investigates small molecule drug release from spheroids prepared from mannuronic acid-rich alginate. ...”
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Data driven approaches to improve the drug discovery process: a virtual screening quest in drug discovery Por Ebejer, JP

“...</p><p>We then outline the steps we took to build a multi-million, small-molecule database (including molecule standardization and efficient exact, substructure and similarity searching capabilities), for use in our virtual screening experiments. ...”

2D electronic spectroscopy study of TIPS - pentacene Por Le, Duc Viet, Leng, Xuan, Do, Thanh Nhut, Tan, Howe Siang, Perrelle, Jessica M. de la, Kee, Tak W.

“...Therefore, investigating into the photophysical properties of this molecule can assist researchers in better understanding the singlet fission phenomenon....”
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Molecular communication in nanomedicine Por Wong, Chan Mun.

“...Similarly, in molecular communication, the transmission and reception of information are realized through molecules. For example, to transmit bit 1, a single molecule or a number of them are transmitted by a transmitter at the beginning of the fixed-duration time slots. ...”
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Clinical cardiovascular applications of hyperpolarized magnetic resonance Por Lewis, AJM, Tyler, DJ, Rider, O

“...This molecule has numerous potential applications of clinical relevance and has now been translated to human use in early clinical studies. ...”

Development of homogeneous luminescence assays for histone demethylase catalysis and binding. Por Kawamura, A, Tumber, A, Rose, N, King, O, Daniel, M, Oppermann, U, Heightman, T, Schofield, C

“...The assays should be useful for the development of small molecule inhibitors selective for HDM isoforms....”

Bromodomain-peptide displacement assays for interactome mapping and inhibitor discovery. Por Philpott, M, Yang, J, Tumber, T, Fedorov, O, Uttarkar, S, Filippakopoulos, P, Picaud, S, Keates, T, Felletar, I, Ciulli, A, Knapp, S, Heightman, T

“...We have also demonstrated that these assays can be used to detect small molecule binding from the very weak to the nanomolar range. ...”