Local And Global Approaches To Treat The Torsional Barriers Of 4-methyl-acetophenone Using Microwave Spectroscopy

The Fourier transform microwave spectrum of 4-methylacetophenone recorded from 8 GHz to 18 GHz under jet-cooled conditions has revealed large tunneling splittings arising from a low barrier to internal rotation of the ring methyl group and small splittings from a high torsional barrier of the acetyl methyl group. The large splittings are especially challenging to model, while the small splittings are difficult to analyze due to the resolution limit of 120 kHz. The combination of two methyl groups undergoing internal rotations caused each rotational transition to split into five torsional species, which were resolved and fitted using a modified version of the \textit{XIAM} code and the newly developed \textit{ntop} code to a root-mean-square deviation close to measurement accuracy, providing an estimate of the \textit{V}$_{3}$ potential barriers of about 22 \wn ~and 584–588 \wn ~ for the ring and the acetyl methyl groups, respectively. The assignment was aided by separately fitting the five torsional species using odd-power order operators. Only one conformer in which all heavy atoms are located on a symmetry plane could be identified in the spectrum, in agreement with results from conformation analysis using quantum chemical calculations

Canadian National Site Licensing Project: getting ready for CNSLP at the University of Saskatchewan Library

The Canadian National Site Licensing Project (CNSLP) is a national effort by a consortium of 64 Canadian university libraries to provide access to full text electronic journals. The first part of this paper describes the organization, funding structure, and activities, including license negotiations, of the CNSLP. The second part of this paper deals with the technical and operational issues related to electronic journal management. It describes the process developed at the University of Saskatchewan for incorporating the CNSLP material into the Library's collections and finding tools. An assessment of the jake utility as a reliable source of metadata is also presented

Amiodarone-Induced Pulmonary Toxicity - A Frequently Missed Complication.

IntroductionAmiodarone is often used in the suppression of tachyarrhythmias. One of the more serious adverse effects includes amiodarone pulmonary toxicity (APT). Several pulmonary diseases can manifest including interstitial pneumonitis, organizing pneumonia, acute respiratory distress syndrome, diffuse alveolar hemorrhage, pulmonary nodules or masses, and pleural effusion. Incidence of APT varies from 5-15% and is correlated to dosage, age of the patient, and preexisting lung disease.DescriptionA 56-year-old male with a past medical history of coronary artery disease and chronic obstructive pulmonary disease was admitted for a coronary artery bypass graft. Post-operatively, the patient was admitted to the ICU for ventilator management and continued to receive his home dose of amiodarone 400 mg orally twice daily, which he had been taking for the past 3 months. The patient was found to be hypoxemic with a PaO2 52 mmHg and bilateral infiltrates on chest x-ray. Patient also complained of new onset dyspnea. Physical exam found bilateral rhonchi with bibasilar crackles and subcutaneous emphysema along the left anterior chest wall. Daily chest x-rays showed worsening of bilateral interstitial infiltrates and pleural effusions. A chest high-resolution computed tomography on post-operative day 3 showed extensive and severe bilateral ground glass opacities. APT was suspected and amiodarone was discontinued. A course of oral prednisone without antibiotics was initiated, and after one week of treatment the chest film cleared, the PaO2 value normalized and dyspnea resolved.DiscussionAPT occurs via cytotoxic T cells and indirectly by immunological reaction. Typically the lungs manifest a diffuse interstitial pneumonitis with varying degrees of fibrosis. Infiltrates with a 'ground-glass' appearance appreciated on HRCT are more definitive than chest x-ray. Pulmonary nodules can be seen, frequently in the upper lobes. These are postulated to be accumulations of amiodarone in areas of previous inflammation. Those undergoing major cardiothoracic surgery are known to be predisposed to APT. Some elements require consideration: a baseline pulmonary function test (PFT) did not exist prior. APT would manifest a restrictive pattern of PFTs. In APT diffusing capacity (DLCO) is generally >20 percent from baseline. A DLCO was not done in this patient. Therefore, not every type of interstitial lung disease could be ruled out. Key features support a clinical diagnosis: (1) new dyspnea, (2) exclusion of lung infection, (3) exclusion of heart failure, (4) new radiographic features, (5) improvement with withdrawal of amiodarone. Our case illustrates consideration of APT in patients who have extensive use of amiodarone and new onset dyspnea

A Robust Control for Five-level Inverter Based on Integral Sliding Mode Control

This paper presents a new control strategy for cascaded H-bridge five-level inverter (CHB-5LI) based on the novel sliding mode control (NSMC). The proposed method can generate pulse-width modulation (PWM) without using conventional modulation techniques based on carrier waves. With the proposed NSMC technique, the PWM pulses can be obtained by the control signal u(t) from the output of the sliding mode controller and the levels of comparison. To eliminate the chattering and increase the speed convergence of the controller, the integral sliding-mode surface combined with a first-order low-pass filter (LPF) is used. The stability of the control system is validated by Lyapunov theory. The simulation and experimental results show that the proposed NSMC method has strong robustness, and better performance for multi-level inverter control systems with low total harmonic distortion, Common-Mode (CM) voltage reduction, switching frequency diminution, and less switching loss

A Robust Control for Five-level Inverter Based on Integral Sliding Mode Control

This paper presents a new control strategy for cascaded H-bridge five-level inverter (CHB-5LI) based on the novel sliding mode control (NSMC). The proposed method can generate pulse-width modulation (PWM) without using conventional modulation techniques based on carrier waves. With the proposed NSMC technique, the PWM pulses can be obtained by the control signal u(t) from the output of the sliding mode controller and the levels of comparison. To eliminate the chattering and increase the speed convergence of the controller, the integral sliding-mode surface combined with a first-order low-pass filter (LPF) is used. The stability of the control system is validated by Lyapunov theory. The simulation and experimental results show that the proposed NSMC method has strong robustness, and better performance for multi-level inverter control systems with low total harmonic distortion, Common-Mode (CM) voltage reduction, switching frequency diminution, and less switching loss

Экологические проблемы информационной цивилизации

Цель данного исследования - проясниться характерные черты академического взгляда, подготовленные революцией в информационной сфере. Задача, установленная автором, рассмотреть возможные проблемы, которые создает информационная цивилизация. Методологической основой для достижения поставленных целей и решения проблем является систематический подход.The purpose of this study is to clarify the features of the scientific worldview prepared by the information revolution. The task posed by the author lies in the field of considering possible problems created by the information civilization. The methodological basis for achieving the goals and solutions of the assigned task is the system-activity approach

Konzeption und prototypische Implementierung einer EMG-basierten Anwendung zur passiven Unterstützung in der Handtherapie unter Verwendung der Thalmic Myo

Im Rahmen dieser Abschlussarbeit wird in Zusammenarbeit mit zwei Physiotherapeuten der IB Medizinischen Akademie Mannheim ein Konzept für das heimbasierte Training in der Handtherapie erarbeitet. Das Konzept basiert auf der Thalmic Myo, einem Gestensteuerungssystem, das über den Arm gesteuert wird. Der Entwurf wird prototypisch in Verbindung mit einer Android Anwendung realisiert. Das Myo-Armband ist mit Bewegungssensoren und Elektroden ausgestattet, womit sich Position von Hand und Arm im Raum erfassen und Bewegungen durch elektrische Signale von Muskeln erkennen lassen. Basierend auf dieser Technologie, soll eine Möglichkeit zur Verlaufskontrolle der Adhärenz, die Einhaltung der gemeinsam gesetzten Therapieziele, gewährleistet werden können. Abschließend wird der Prototyp gemeinsam mit sieben Physiotherapeuten hinsichtlich seiner Funktionalität untersucht und die Akzeptanz und das Nutzererlebnis evaluiert. Bei der Untersuchung wird das Studentenprojekt “LeapPhysio” hinzugezogen, das ähnliche Ziele verfolgt, jedoch auf einer anderen Technologie basiert. Es werden beide Technologien gegenübergestellt und auf ihre Eignung geprüft

The LAM of the Rings: Large Amplitude Motions in Aromatic Molecules Studied by Microwave Spectroscopy

Large amplitude motions (LAMs) form a fundamental phenomenon that demands the development of specific theoretical and Hamiltonian models. In recent years, along with the strong progress in instrumental techniques on high-resolution microwave spectroscopy and computational capacity in quantum chemistry, studies on LAMs have become very diverse. Larger and more complex molecular systems have been taken under investigation, ranging from series of heteroaromatic molecules from five-and six-membered rings to polycyclic-aromatic-hydrocarbon derivatives. Such systems are ideally suited to create families of molecules in which the positions and the number of LAMs can be varied, while the heteroatoms often provide a sufficient dipole moment to the systems to warrant the observation of their rotational spectra. This review will summarize three types of LAMs: internal rotation, inversion tunneling, and ring puckering, which are frequently observed in aromatic five-membered rings such as furan, thiophene, pyrrole, thiazole, and oxazole derivatives, in aromatic six-membered rings such as benzene, pyridine, and pyrimidine derivatives, and larger combined rings such as naphthalene, indole, and indan derivatives. For each molecular class, we will present the representatives and summarize the recent insights on the molecular structure and internal dynamics and how they help to advance the field of quantum mechanics

Low barrier methyl rotation in 3-Pentyn-1-ol as observed by microwave spectroscopy

It is known that the barrier to internal rotation of the methyl groups in ethane (\textbf{1}) is about 1000 \wn.\footnote{R. M. Pitzer, \emph{Acc. Chem. Res.}, \textbf{1983}, \emph{16}, 207–210.} If a C-C-triple bond is inserted between the methyl groups as a spacer (\textbf{2}), the torsional barrier is assumed to be dramatically lower, which is a common feature of ethinyl groups in general. \newline \indent To study this effect of almost free internal rotation, we measured the rotational spectrum of 3-pentyn-1-ol (\textbf{3}) by pulsed jet Fourier transform microwave spectroscopy in the frequency range from 2 to 26.5 GHz. Quantum chemical calculations at the MP2/6-311++G(d,p) level of theory yielded five stable conformers on the potential energy surface. The most stable conformer, which possesses C$_{1}$ symmetry, was assigned and fitted using two theoretical approaches treating internal rotations, the rho axis method (\emph{BELGI-C$_{1}$}) and the combined axis method (\emph{XIAM}). The molecular parameters as well as the internal rotation parameters were determined. A very low barrier to internal rotation of the methyl group of only 9.4545(95) \wn \ was observed. \begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.55]{3Py1.eps} \end{wrapfigure