Results 111 to 120 of about 20,004,569 (303)

Ultrafast Excited State Dynamics of a Verdazyl Diradical System

Photochem
While the photophysics of closed-shell organic molecules is well established, much less is known about open-shell systems containing interacting radical pairs.
Caitlyn Clark, Filip Pawłowski, David J. R. Brook, Christopher Grieco   +3 more
doaj   +1 more source

Unraveling 4‐Phenylbutyrate's Therapeutic Role in SLC6A1 Disorders: Pharmacochaperoning Over HDAC Inhibition

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Variants in SLC6A1, encoding the GABA transporter 1 (GAT‐1), cause epilepsy, autism spectrum disorder, and developmental delay via loss of GABA uptake, impaired trafficking, and ER retention. We previously found that 4‐Phenylbutyrate (PBA), an FDA‐approved drug, restores GABA uptake and reduces seizures in SLC6A1‐related disorders ...
Melissa B. DeLeeuw, Karishma Randhave, Ekta Anand, Ziang (Debbie) Song, Wangzhen Shen, Jing‐Qiong Kang   +5 more
wiley   +1 more source

Excited-State-Selective Ultrafast Relaxation Dynamics and Photoisomerization of trans-4,4′-Azopyridine

Excited-state dynamics of trans-4,4′-azopyridine in ethanol is studied using femtosecond transient absorption with 30 fs temporal resolution. Exciting the system at three different wavelengths, 460 and 290 (275) nm, to access the S1 nπ* and S2 ππ ...
Alexander N. Tarnovsky (1278519), Laura M. Obloy (14130165), Patrick Z. El-Khoury (1347363)   +2 more
core   +1 more source

SpaiNN: Equivariant Message Passing for Excited-State Nonadiabatic Molecular Dynamics [PDF]

Excited-state molecular dynamics simulations are crucial for understanding processes like photosynthesis, vision, and radiation damage. However, the computational complexity of quantum chemical calculations restricts their scope.
Philipp, Marquetand, Leticia, González, Sascha, Mausenberger, Julia, Westermayr, Carolin, Müller, Alexandre , Tkatchenko   +5 more
core   +1 more source

Neurochemical Endpoints to Inform Early‐Stage Trials of Spinocerebellar Ataxia 2 and 3 in a Multisite Setting

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Neurochemical levels measured by brain MR spectroscopy (MRS) have been proposed as endpoints for clinical trials in early‐stage spinocerebellar ataxia (SCA) trials. We tested their trial‐readiness by quantifying neurochemicals in three affected brain regions in early‐stage cohorts of SCA2 and SCA3, examining their reproducibility in ...
James M. Joers, Yaqiao Wei, Dinesh K. Deelchand, Adam Berrington, Young Woo Park, Guita Banan, Michal Povazan, Jens T. Rosenberg, André J. W. van der Kouwe, Tetsuo Ashizawa, Khalaf O. Bushara, Chiadi U. Onyike, Sub H. Subramony, Jeremy D. Schmahmann, Brian J. Soher, Peter B. Barker, Thomas H. Mareci, Eva‐Maria Ratai, Lynn E. Eberly, Gülin Öz   +19 more
wiley   +1 more source

Dynamics of the OH group and the electronic structure of liquid alcohols

Structural Dynamics, 2014
In resonant inelastic soft x-ray scattering (RIXS) from molecular and liquid systems, the interplay of ground state structural and core-excited state dynamical contributions leads to complex spectral shapes that partially allow for ambiguous ...
Simon Schreck, Annette Pietzsch, Kristjan Kunnus, Brian Kennedy, Wilson Quevedo, Piter S. Miedema, Philippe Wernet, Alexander Föhlisch   +7 more
doaj   +1 more source

Characterizing Cutaneous α‐Synuclein Deposition and Seeding Activity in Parkinson's Disease Subtypes

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Cutaneous phosphorylated α‐synuclein (p‐syn) and α‐synuclein seeding activity are promising biomarkers for Parkinson's disease (PD), but their clinical value remains uncertain due to disease heterogeneity. This study evaluates these two biomarkers in PD patients to inform phenotype‐specific diagnosis and disease severity assessment ...
Yuting Jin, Tianyuan Yang, Minglei Liu, Haiyang Luo, Jing Yuan, Ke Zhang, Xinsheng Han, Jing Yang, Yuming Xu   +8 more
wiley   +1 more source

Excited-State Dynamics Simulations of a Light-Driven Molecular Motor in Solution

Molecular motors, where light can be transformed into motion, are promising in the design of nanomechanical devices. For applications, however, finding relationships between molecular motion and the environment is important.
Sebastian Mai (1356060), Leticia González (1268976), Jin Wen (187174)   +2 more
core   +1 more source

Augmenting and Assaying Nav1.1 Protein Quantity for Dravet Syndrome Therapy

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Dravet Syndrome (DS) is a developmental and epileptic encephalopathy predominantly caused by heterozygous loss‐of‐function variants in SCN1A, which encodes Nav1.1. Conserved upstream open reading frames (uORFs) in SCN1A were validated to regulate translation in reporter assays, demonstrating the therapeutic viability of increasing Nav1.1 from ...
Aiswarya Saravanan, Jordan Safran, Anna Loughman, Grace Lin, Shivanshi Vaid, Dana Allababidi, Peter M. Tessier, Louis T. Dang   +7 more
wiley   +1 more source

Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2′-bipyridine)2(CN)2]

Structural Dynamics, 2017
We have used femtosecond resolution UV-visible and Kβ x-ray emission spectroscopy to characterize the electronic excited state dynamics of [Fe(bpy)2(CN)2], where bpy=2,2′-bipyridine, initiated by metal-to-ligand charge transfer (MLCT) excitation.
Kasper S. Kjær, Wenkai Zhang, Roberto Alonso-Mori, Uwe Bergmann, Matthieu Chollet, Ryan G. Hadt, Robert W. Hartsock, Tobias Harlang, Thomas Kroll, Katharina Kubiček, Henrik T. Lemke, Huiyang W. Liang, Yizhu Liu, Martin M. Nielsen, Joseph S. Robinson, Edward I. Solomon, Dimosthenis Sokaras, Tim B. van Driel, Tsu-Chien Weng, Diling Zhu, Petter Persson, Kenneth Wärnmark, Villy Sundström, Kelly J. Gaffney   +23 more
doaj   +1 more source