Spin and spectral signatures of polaron pairs in π-conjugated polymers

Journal ArticleWe have studied polaron pair photoexcitations in a variety of π-conjugated polymer films by photoinduced absorption (PA) and optically-detected magnetic resonance (ODMR). An exchange interaction between polarons broadens the ODMR spectrum, permitting the unambiguous identification of the polaron pair species. Both isotropic and anisotropic exchange interactions have been observed. An isotropic exchange interaction broadens the spin-1/2 resonance associated with polarons, whereas an anistropic exchange interaction gives rise to both full-field and half-field powder patterns. We have successfully modelled the observed spin-1/2 ODMR spectra and estimate the strength of the isotropic exchange interaction J. Both polarons and polaron pairs are characterized by two absorption bands. The high energy PA band of polaron pairs is blueshifted with respect to that of isolated polarons

Assessment of the Calibration of Periodontal Diagnosis and Treatment Planning Among Dental Students at Three Dental Schools

Calibration in diagnosis and treatment planning is difficult to achieve due to variations that exist in clinical interpretation. To determine if dental faculty members are consistent in teaching how to diagnose and treat periodontal disease, variations among dental students can be evaluated. A previous study reported high variability in diagnoses and treatment plans of periodontal cases at Indiana University School of Dentistry. This study aimed to build on that one by extending the research to two additional schools: Marquette University School of Dentistry and West Virginia University School of Dentistry. Diagnosis and treatment planning by 40 third- and fourth-year dental students were assessed at each of the schools. Students were asked to select the diagnosis and treatment plans on a questionnaire pertaining to 11 cases. Their responses were compared using chi-square tests, and multirater kappa statistics were used to assess agreement between classes and between schools. Logistic regression models were used to evaluate the effects of school, class year, prior experience, and GPA/class rank on correct responses. One case had a statistically significant difference in responses between third- and fourth-year dental students. Kappas for school agreement and class agreement were low. The students from Indiana University had higher diagnosis and treatment agreements than the Marquette University students, and the Marquette students fared better than the West Virginia University students. This study can help restructure future periodontal courses for a better understanding of periodontal diagnosis and treatment planning

Simulations of the temporal and spatial resolution for a compact time-resolved electron diffractometer

A novel compact electron gun for use in time-resolved gas electron diffraction experiments has recently been designed and commissioned. In this paper we present and discuss the extensive simulations that were performed to underpin the design in terms of the spatial and temporal qualities of the pulsed electron beam created by the ionisation of a gold photocathode using a femtosecond laser. The response of the electron pulses to a solenoid lens used to focus the electron beam has also been studied. The simulated results show that focussing the electron beam affects the overall spatial and temporal resolution of the experiment in a variety of ways, and that factors that improve the resolution of one parameter can often have a negative effect on the other. A balance must, therefore, be achieved between spatial and temporal resolution. The optimal experimental time resolution for the apparatus is predicted to be 416 fs for studies of gas-phase species, while the predicted spatial resolution of better than 2 nm-1 compares well with traditional time-averaged electron diffraction set-ups

Alignment facility and software for single crystal time of flight neutron spectroscopy

An instrument and software algorithm is described for the purpose of characterization of large single crystals at the Alignment Facility (ALF) of the ISIS spallation neutron source. We describe a method for both characterizing the quality of the sample and also aligning it in a particular scattering plane. We present a software package written for this instrument and demonstrate its utility by way of an example of the structural characterization of large singles crystals of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$. We suggest extensions and modifications of characterization instruments for future improved beamlines. It is hoped that this software will be used by the neutron user community for pre characterizing large single crystals for spectroscopy experiments and that future facilities will include such a facility as part of the spectroscopy suite at spallation neutron sources.Comment: (6 pages, 7 figures, to be published in Journal of Applied Crystallography); The software package can be found at https://github.com/CSTOCK3/ALF-Analysis-Software. Please email comments to the author

Sulfa Resistance in Mouse-Derived Pneumocystis carinii

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/74674/1/j.1550-7408.1996.tb04975.x.pd

Unusual cage rearrangements in 10-vertex nido-5,6-dicarbaborane derivatives : An interplay between theory and experiment

The reaction between selected X-nido-5,6-C2B8H11 compounds (where X = Cl, Br, I) and "Proton Sponge" [PS; 1,8-bis(dimethylamino)naphthalene], followed by acidification, results in extensive rearrangement of all cage vertices. Specifically, deprotonation of 7-X-5,6-C2B8H11 compounds with one equivalent of PS in hexane or CH2Cl2 at ambient temperature led to a 7 → 10 halogen rearrangement, forming a series of PSH+[10-X-5,6-C2B8H10]- salts. Reprotonation using concentrated H2SO4 in CH2Cl2 generates a series of neutral carbaboranes 10-X-5,6-C2B8H11, with the overall 7 → 10 conversion being 75%, 95%, and 100% for X = Cl, Br, and I, respectively. Under similar conditions, 4-Cl-5,6-C2B8H11 gave ∼66% conversion to 3- Cl-5,6-C2B8H11. Since these rearrangements could not be rationalized using the Bvertex swing mechanism, new cage rearrangement mechanisms, which are substantiated using DFT calculations, have been proposed. Experimental 11B NMR chemical shifts are well reproduced by the computations; as expected δ(11B) for B(10) atoms in derivatives with X = Br and I are heavily affected by spin-orbit coupling

Electromodulated photoinduced absorption : A new spectroscopy in π- conjugated polymer/C60 blends

Optical Science, Engineering and Instrumentation '97, 1997, San Diego, CA, United StatesMartin Liess, Paul A. Lane, Zakya H. Kafafi, M. Hamaguchi, Masanori Ozaki, Katsumi Yoshino, and Z. Valy Vardeny "Electromodulated photoinduced absorption: a new spectroscopy in π-conjugated polymer/C60 blends", Proc. SPIE 3142, Fullerenes and Photonics IV, (1 November 1997). DOI: https://doi.org/10.1117/12.29335

A compact electron gun for time-resolved electron diffraction

A novel compact time-resolved electron diffractometer has been built with the primary goal of studying the ultrafast molecular dynamics of photoexcited gas-phase molecules. Here, we discuss the design of the electron gun, which is triggered by a Ti:Sapphire laser, before detailing a series of calibration experiments relating to the electron-beam properties. As a further test of the apparatus, initial diffraction patterns have been collected for thin, polycrystalline platinum samples, which have been shown to match theoretical patterns. The data collected demonstrate the focusing effects of the magnetic lens on the electron beam, and how this relates to the spatial resolution of the diffraction pattern

At an important tephrostratigraphic crossroads: cryptotephra in Late Glacial to Early Holocene lake sediments from the Carpathian Mountains, Romania

Understanding the temporal and spatial environmental response to past climate change during the Last Glacial-Interglacial Transition (LGIT, 16-8 ka) across Europe relies on precise chronologies for palaeoenvironmental records. Tephra layers (volcanic ash) are a powerful chronological tool to synchronise disparate records across the continent. Yet, some regions remain overlooked in terms of cryptotephra investigations. Building on earlier work at the same sites, we present the first complete LGIT high-resolution cryptotephra investigation of two lake records in the Carpathian Mountains in Romania, Lake Brazi and Lake Lia. Numerous volcanic glass shards have been recognised as originating from various volcanic regions, including: Iceland (Katla, Askja, and Torfajokull), Italy (Campi Flegrei, Ischia, Lipari, and Pantelleria), and central Anatolia (Acigol and Ericyes). In total, four distinct tephra horizons have now been identified in these records: 1) an LGIT Lipari tephra (11,515–12,885 cal BP, 95.4% range); 2) Askja-S (11,070–10,720 cal BP, 95.4% range); 3) an Early Holocene Lipari tephra,(12,590–10,845 cal BP, 95.4% range) and; 4) an Early Holocene Ischia tephra (11,120–10,740 cal BP, 95.4% range). The use of trace element analysis on selected cryptotephra layers provided additional important information in identifying volcanic source and facilitating correlations. These tephra layers, along with numerous other discrete cryptotephra layers, offer promise as significant future isochrons for comprehending the spatial and temporal fluctuations in past climate change throughout Europe and the Mediterranean area. This research has emphasized the significance of the Carpathian region in expanding the European and Mediterranean tephra lattice and establishing it as a keystone area within the framework