Results 61 to 70 of about 4,874,213 (359)

Overexpression of CDT1 inhibits cell cycle progression at S phase by interacting with the mini‐chromosome maintenance complex and causes DNA damage

FEBS Open Bio, EarlyView.
CDT1 is an essential protein for DNA replication licensing that loads the MCM complex, the eukaryotic replicative DNA helicase, onto replication origins. Overexpression of CDT1 induces cell cycle arrest at the S phase. Here we showed CDT1 inhibits the progression of replication forks by interacting with the MCM complex, leading to the stalling and ...
Takashi Tsuyama, Nonoka Takayama, Rina Tanaka, Yuuki Arai, Yohko Yamaguchi, Yuko Nawata, Yutaro Azuma, Shusuke Tada   +7 more
wiley   +1 more source

Homologous expression and purification of human HAX‐1 for structural studies

FEBS Open Bio, EarlyView.
This research protocol provides detailed instructions for cloning, expressing, and purifying large quantities of the intrinsically disordered human HAX‐1 protein, N‐terminally fused to a cleavable superfolder GFP, from mammalian cells. HAX‐1 is predicted to undergo posttranslational modifications and to interact with membranes, various cellular ...
Mariana Grieben
wiley   +1 more source

Electronic and optical properties of families of polycyclic aromatic hydrocarbons: a systematic (time-dependent) density functional theory study

, 2011
Homologous classes of Polycyclic Aromatic Hydrocarbons (PAHs) in their crystalline state are among the most promising materials for organic opto-electronics.
A. Mattoni, Anthony, Anthony, Bauernschmitt, Becke, Brédas, Cai, Cappellini, Casida, Castro, Cave, Curl, De Angelis, Deleuze, Dessent, Devos, Dierksen, Dreizler, Dreuw, Dreuw, G. Cappellini, G. Malloci, G. Mulas, Godby, Grimme, Görling, Halik, Handy, Hirata, Hirata, Hirata, Huang, Iikura, Jacquemin, Jacquemin, Jacquemin, Jacquemin, Jiang, Jones, Kadantsev, Kamiya, Kan, Karabunarliev, Karak, Kato, Kato, Langhoff, Lee, Lunch, Maitra, Malloci, Malloci, Malloci, Mallory, Marques, Marques, Martin, Murphy, Nguyen, Niehaus, Parac, Perdew, Pope, Pérez-Jiménez, Rehwagen, Rienstra-Kiracofe, Sancho-García, Sancho-García, Sato, Shida, Shida, Shiyanovskaya, Sobolewski, Tawada, Tielens, Tielens, Tozer, Tozer, Tschurl, Valiev, Vosko, Wiberg, Wiberg, Wong, Wong, Yabana, Yoo   +86 more
core   +1 more source

The activation strain model and molecular orbital theory

Wiley Interdisciplinary Reviews. Computational Molecular Science, 2015
The activation strain model is a powerful tool for understanding reactivity, or inertness, of molecular species. This is done by relating the relative energy of a molecular complex along the reaction energy profile to the structural rigidity of the ...
L. P. Wolters, F. Bickelhaupt
semanticscholar   +1 more source

C2α‐carbanion‐protonating glutamate discloses tradeoffs between substrate accommodation and reaction rate in actinobacterial 2‐hydroxyacyl‐CoA lyase

FEBS Open Bio, EarlyView.
Enzymes of the 2‐hydroxyacyl‐CoA lyase group catalyze the condensation of formyl‐CoA with aldehydes or ketones. Thus, by structural adaptation of active sites, practically any pharmaceutically and industrially important 2‐hydroxyacid could be biotechnologically synthesized. Combining crystal structure analysis, active site mutations and kinetic assays,
Michael Zahn, Barbara Seroka, Ryszard Lazny, Zenon Lotowski, Thore Rohwerder   +4 more
wiley   +1 more source

Density Functional Theoretical Computational Studies on 3-Methyl 2-Vinyl Pyridinium Phosphate

Advances in Condensed Matter Physics, 2022
The molecular structure of 3-methyl 2-vinyl pyridinium phosphate (3M2VPP) has been optimized by using Density Functional Theory using B3LYP hybrid functional with 6-311++G (d, p) basis set in order to find the whole characteristics of the molecular ...
N. Kanagathara, V. J. Thanigaiarasu, V. Sabari, S. Elangovan   +3 more
doaj   +1 more source

Fluid Biomarkers of Disease Burden and Cognitive Dysfunction in Progressive Supranuclear Palsy

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Identifying objective biomarkers for progressive supranuclear palsy (PSP) is crucial to improving diagnosis and establishing clinical trial and treatment endpoints. This study evaluated fluid biomarkers in PSP versus controls and their associations with regional 18F‐PI‐2620 tau‐PET, clinical, and cognitive outcomes.
Roxane Dilcher, Charles B. Malpas, Stuart J. McDonald, William T. O’Brien, Craig Despott, Kelly L. Bertram, Matthew P. Pase, Lukas Frontzkowski, Meng Law, Terence J. O’Brien, Lucy Vivash   +10 more
wiley   +1 more source

Synthesis, Crystal and Molecular Structure Studies and DFT Calculations of Phenyl Quinoline-2-Carboxylate and 2-Methoxyphenyl Quinoline-2-Carboxylate; Two New Quinoline-2 Carboxylic Derivatives

Crystals, 2015
The crystal and molecular structures of the title compounds, phenyl quinoline-2-carboxylate and 2-methoxyphenyl quinoline-2-carboxylate, two new derivatives of quinolone-2-carboxylic acid, are reported and confirmed by single crystal X-ray diffraction ...
Edakot Fazal, Jerry P. Jasinski, Brian J. Anderson, Manpreet Kaur, Subban Nagarajan, Belgur Satyanarayana Sudha   +5 more
doaj   +1 more source

Orbital order, stacking defects and spin-fluctuations in the $p$-electron molecular solid RbO$_2$

, 2009
We examine magnon and orbiton behavior in localized O$_2$ anti-bonding molecular $\pi^*$ orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model with hopping parameters taken from {\em ab initio} density functional ...
E. R. Ylvisaker, M. Rosenfeld, R. R. P. Singh, W. E. Pickett   +3 more
core   +1 more source

Composite Electrospun Fibers Containing Optimized B‐ and Cu‐Doped Bioactive Glass Sol‐Gel Particles for Potential Soft Tissue Engineering Applications

Advanced Engineering Materials, EarlyView.
This article describes the preparation and characterization of poly(ε‐caprolactone) electrospun composite fibers incorporating sol‐gel‐derived bioactive glass particles doped with B and Cu. Scanning electron microscopy, energy‐dispersive X‐ray spectroscopy, Fourier‐transform infrared spectroscopy, contact angle, acellular bioactivity, mechanical and ...
Elisa Piatti, Marta Miola, Liliana Liverani, Paolo Sartori, Enrica Verné, Aldo R. Boccaccini   +5 more
wiley   +1 more source