FEL research and development at STFC Daresbury laboratory

In this paper we present an overview of current and proposed FEL developments at STFC Daresbury Laboratory in the UK. We discuss progress on the ALICE IR-FEL since first lasing in October 2010, covering the optimisation of the FEL performance, progress on the demonstration of a single shot cross correlation experiment and the results obtained so far with a Scanning Near-Field Optical Microscopy beamline. We discuss a proposal for a 250 MeV single pass FEL test facility named CLARA to be built at Daresbury and dedicated to research for future light source applications. Finally we present a brief overview of other recent research highlights

AI-based structure prediction empowers integrative structural analysis of human nuclear pores

Nuclear pore complexes (NPCs) mediate nucleocytoplasmic transport. Their intricate 120-megadalton architecture remains incompletely understood. Here, we report a 70-megadalton model of the humanNPC scaffold with explicit membrane and in multiple conformational states. We combined artificial intelligence (AI)–based structure prediction with in situ and in cellulo cryo–electron tomography and integrative modeling. We show that linker nucleoporins spatially organize the scaffold within and across subcomplexes to establish the higher-order structure. Microsecond-long molecular dynamics simulationssuggest that the scaffold is not required to stabilize the inner and outer nuclear membrane fusion but rather widens the central pore. Our work exemplifies how AI-based modeling can be integrated within situ structural biology to understand subcellular architecture across spatial organization levels

Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light

Electron–nuclei coupling accompanying excitation and relaxation processes is a fascinating phenomenon in molecular dynamics. A striking and unexpected example of such coupling is presented here in the context of photoelectron circular dichroism measurements on randomly oriented, chiral methyloxirane molecules, unaffected by any continuum resonance. Here, we report that the forward-backward asymmetry in the electron angular distribution, with respect to the photon axis, which is associated with photoelectron circular dichroism can surprisingly reverse direction according to the ion vibrational mode excited. This vibrational dependence represents a clear breakdown of the usual Franck–Condon assumption, ascribed to the enhanced sensitivity of photoelectron circular dichroism (compared with other observables like cross-sections or the conventional anisotropy parameter-β) to the scattering phase off the chiral molecular potential, inducing a dependence on the nuclear geometry sampled in the photoionization process. Important consequences for the interpretation of such dichroism measurements within analytical contexts are discussed

Submicron infrared imaging of an oesophageal cancer cell with chemical specificity using an IR-FEL

This work reports the use of an infrared spectroscopic version of scanning near-field optical microscopy (IR-SNOM) and shows that it is possible to reveal subcellular entities via their chemical constituents in a label-free human oesophageal adenocarcinoma cell (OE33). This work presents the first high spatial resolution (~0.15 μm) study of features imaged at various wavelengths within a cancer cell. The clear illumination of sub-micron sized moieties within a cell is a major step forward and is a key requirement for understanding cancer and for the study of other diseases and healthy tissue. The stable and tuneable light source was provided by the infrared free electron laser on the ALICE accelerator at Daresbury. The images reveal a structure with a size and wavelength absorption that are consistent with a chromosome and open the possibility of observing other localized structures, such as microvesicles, that play an important role in the development and spread of cancers

Untersuchung dotierter Zirkonsilicate und Entwicklung neuer keramischer Farbkoerper

TIB Hannover: DB 3746a / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekSIGLEDEGerman

Theoretical study of the polarized electronic absorption spectra of vanadium-doped zircon

The polarized electronic absorption spectra of a blue vanadium- doped zircon single crystal, grown by the flux method, has been studied by quantum chemical (CI) calculations in order to determine the position of the V4+ dopant in the zircon host structure. Particularly, the excitation energies and polarizations of V4+ occupying alternate positions, either the zirconium or silicon position or the interstitial site 16g, have been considered. It is concluded that the observed electronic absorption spectra and the color of zirconblue can only be explained if the V4+ chromophore is placed on the respective interstitial position. (C) 2002 Elsevier Science (USA). All rights reserved