Interactive Chemical Reactivity Exploration

Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in quantum chemistry, still a major challenge. Black-box search methods to find intermediates and transition-state structures might fail in such situations because of the high-dimensionality of the potential energy surface. Here, we propose the concept of interactive chemical reactivity exploration to effectively introduce the chemist's intuition into the search process. We employ a haptic pointer device with force-feedback to allow the operator the direct manipulation of structures in three dimensions along with simultaneous perception of the quantum mechanical response upon structure modification as forces. We elaborate on the details of how such an interactive exploration should proceed and which technical difficulties need to be overcome. All reactivity-exploration concepts developed for this purpose have been implemented in the Samson programming environment.Comment: 36 pages, 14 figure

Dark matter directional detection with MIMAC

MiMac is a project of micro-TPC matrix of gaseous (He3, CF4) chambers for direct detection of non-baryonic dark matter. Measurement of both track and ionization energy will allow the electron-recoil discrimination, while access to the directionnality of the tracks will open a unique way to distinguish a geniune WIMP signal from any background. First reconstructed tracks of 5.9 keV electrons are presented as a proof of concept.Comment: 4 pages, proc. of the 44th Rencontres De Moriond: Electroweak Interactions And Unified Theories, 7-14 Mar 2009, La Thuile, Ital

NIKEL_AMC: Readout electronics for the NIKA2 experiment

The New Iram Kid Arrays-2 (NIKA2) instrument has recently been installed at the IRAM 30 m telescope. NIKA2 is a state-of-art instrument dedicated to mm-wave astronomy using microwave kinetic inductance detectors (KID) as sensors. The three arrays installed in the camera, two at 1.25 mm and one at 2.05 mm, feature a total of 3300 KIDs. To instrument these large array of detectors, a specifically designed electronics, composed of 20 readout boards and hosted in three microTCA crates, has been developed. The implemented solution and the achieved performances are presented in this paper. We find that multiplexing factors of up to 400 detectors per board can be achieved with homogeneous performance across boards in real observing conditions, and a factor of more than 3 decrease in volume with respect to previous generations.Comment: 21 pages; 16 figure

Development of a front end ASIC for Dark Matter directional detection with MIMAC

A front end ASIC (BiCMOS-SiGe 0.35 \mum) has been developed within the framework of the MIMAC detector project, which aims at directional detection of non-baryonic Dark Matter. This search strategy requires 3D reconstruction of low energy (a few keV) tracks with a gaseous \muTPC. The development of this front end ASIC is a key point of the project, allowing the 3D track reconstruction. Each ASIC monitors 16 strips of pixels with charge preamplifiers and their time over threshold is provided in real time by current discriminators via two serializing LVDS links working at 320 MHz. The charge is summed over the 16 strips and provided via a shaper. These specifications have been chosen in order to build an auto triggered electronics. An acquisition board and the related software were developed in order to validate this methodology on a prototype chamber. The prototype detector presents an anode where 2 x 96 strips of pixels are monitored.Comment: 12 pages, 10 figure

Trigger and readout electronics for the STEREO experiment

The STEREO experiment will search for a sterile neutrino by measuring the anti-neutrino energy spectrum as a function of the distance from the source, the ILL nuclear reactor. A dedicated electronic system, hosted in a single microTCA crate, was designed for this experiment. It performs triggering in two stages with various selectable conditions, processing and readout via UDP/IPBUS of 68 photomultiplier signals continuously digitized at 250 MSPS. Additionally, for detector performance monitoring, the electronics allow on-line calibration by driving LED synchronously with the data acquisition. This paper describes the electronics requirements, architecture and the performances achieved.Comment: Topical Workshop on Electronics for Particle Physics (TWEPP) 2015, Lisboa. 9 pages, 9 figure

Causes of prehospital misinterpretations of ST elevation myocardial infarction

Objectives: To determine the causes of software misinterpretation of ST elevation myocardial infarction (STEMI) compared to clinically identified STEMI to identify opportunities to improve prehospital STEMI identification. Methods: We compared ECGs acquired from July 2011 through June 2012 using the LIFEPAK 15 on adult patients transported by the Los Angeles Fire Department. Cases included patients ≥18 years who received a prehospital ECG. Software interpretation of the ECG (STEMI or not) was compared with data in the regional EMS registry to classify the interpretation as true positive (TP), true negative (TN), false positive (FP), or false negative (FN). For cases where classification was not possible using registry data, 3 blinded cardiologists interpreted the ECG. Each discordance was subsequently reviewed to determine the likely cause of misclassification. The cardiologists independently reviewed a sample of these discordant ECGs and the causes of misclassification were updated in an iterative fashion. Results: Of 44,611 cases, 50% were male (median age 65; inter-quartile range 52–80). Cases were classified as 482 (1.1%) TP, 711 (1.6%) FP, 43371 (97.2%) TN, and 47 (0.11%) FN. Of the 711 classified as FP, 126 (18%) were considered appropriate for, though did not undergo, emergent coronary angiography, because the ECG showed definite (52 cases) or borderline (65 cases) ischemic ST elevation, a STEMI equivalent (5 cases) or ST-elevation due to vasospasm (4 cases). The sensitivity was 92.8% [95% CI 90.6, 94.7%] and the specificity 98.7% [95% CI 98.6, 98.8%]. The leading causes of FP were ECG artifact (20%), early repolarization (16%), probable pericarditis/myocarditis (13%), indeterminate (12%), left ventricular hypertrophy (8%), and right bundle branch block (5%). There were 18 additional reasons for FP interpretation (<4% each). The leading causes of FN were borderline ST-segment elevations less than the algorithm threshold (40%) and tall T waves reducing the ST/T ratio below threshold (15%). There were 11 additional reasons for FN interpretation occurring ≤3 times each. Conclusion: The leading causes of FP automated interpretation of STEMI were ECG artifact and non-ischemic causes of ST-segment elevation. FN were rare and were related to ST-segment elevation or ST/T ratio that did not meet the software algorithm threshold