PySCF is a Python-based general-purpose electronic structure platform that supports first-principles simulations of molecules and solids as well as accelerates the development of new methodology and complex computational workflows. This paper explains the design and philosophy behind PySCF that enables it to meet these twin objectives. With several case studies, we show how users can easily implement their own methods using PySCF as a development environment.
View Article and Find Full Text PDFObjective To analyze the correlation between obesity/overweight and constitutions of Chinese medicine (CM)/cardiovascular risk factors in elderly residents of Tianhe District Wushan Com- munity, Guangzhou City. Methods Recruited were 1 054 elderly residents (over 60 years), who had free health examinations in Tianhe District Wushan Community of Guangzhou City from October 2014 to September 2015. They were assigned to the obesity group (107 cases) , the overweight group (431 ca- ses) , and the normal weight group (516 cases) according to body mass index (BMI) by randomized sampling.
View Article and Find Full Text PDFObjectives: This study sought to determine the association between body mass index (BMI) and clinical outcomes among patients with prevalent atrial fibrillation (AF).
Background: Higher BMI is an independent risk factor for incident AF. However, its impact on management strategies and clinical outcomes among patients with prevalent AF is unclear.
Annu Int Conf IEEE Eng Med Biol Soc
September 2016
We describe a feasibility study in which the Microsoft Kinect is used for a game-based exercise to strengthen posterior chain muscles which are often weak in those at high risk of anterior cruciate ligament (ACL) injury. In the game, subjects perform a single posterior chain strengthening exercise. The game uses a side-scrolling video display driven by a hip abduction exercise while a player lies down on the floor.
View Article and Find Full Text PDFBackground: Analyses from primary prevention trials on implantable cardioverter defibrillator (ICD) therapy have shown an association between shocks and increased mortality. Recent data suggest a similar association with antitachycardia pacing (ATP).
Objective: The OMNI study is an observational study of pacemaker and ICD use.
Introduction: Shoulder pain and disability ipsilateral to the implant site is a common complication of cardiac rhythm device implantation, yet very little has been published about this morbidity. We designed a study to assess the potential benefit of a simple exercise protocol in preventing shoulder pain postoperatively.
Methods And Results: Patients undergoing subcutaneous device implantation were randomized to one of two groups.
Reliance on angiographic detection of peripheral embolic events during endovascular treatment of peripheral arterial disease not only underestimates its true incidence but is the leading cause for underdeveloped embolic protection strategies during peripheral arterial interventions. Detection of distal embolic signals especially during percutaneous treatment of infra-inguinal chronic total occlusions (CTO) remains unknown. We report Doppler ultrasound detection of distal embolic signals, during phases of percutaneous intervention involving recanalization of a superficial femoral artery CTO.
View Article and Find Full Text PDFThe Rho family GTPase Cdc42 is a critical regulator of cellular polarization from yeast to man. An analysis of its function in T cell activation is therefore of interest. This analysis poses two substantial challenges, similar to the analysis of many other critical T cell signaling intermediates.
View Article and Find Full Text PDF