Miracle-dz/UniFAR-FTUs huggingface dataset:
Teaching Enzyme Catalysis Using an Open Source Framework for Interactive Molecular Dynamics in Virtual Reality

The reemergence of virtual reality (VR) in the last few years has led to affordable commodity hardware that can offer new ways to teach, communicate and engage with difficult concepts, especially those which involve complicated 3D motion and spatial manipulation. In a higher education context, these immersive technologies make it possible to teach complex molecular topics in a way that may aid or even supersede traditional approaches such as molecular models, textbook images, and traditional screen-based computational environments. In this work we describe a study involving 24 third-year UK undergraduate chemistry students who undertook a traditional computational chemistry class complemented with an additional component utilising real-time interactive molecular dynamics simulations in VR (iMD-VR). Exploiting the flexibility of an open-source iMD-VR framework which we recently described,(1) and building on recent work where we demonstrated the ability to use this framework to run ‘on-the-fly’ density functional theory in VR at interactive speeds,2 we designed three tasks for students to complete in iMD-VR: (1) interactive rearrangement of the chorismate molecule to prephenate using forces obtained from ‘on-the-fly’ density functional theory calculations; (2) unbinding of chorismate from the active site chorismate mutase enzyme using molecular-mechanics forces calculated in real-time; and (3) docking of chorismate with chorismate mutase using real-time molecular mechanics forces. A survey indicated that most students found the iMD-VR component more engaging than the traditional approach, and also that it improved their perceived educational outcomes and their interest in continuing on in the field of computational sciences.
Organizational Commitment and Employee's Innovative Behavior: A Study in Retail Sector

Commitment has been the area of interest among academic researchers and practitioners because it is believed to have an effect on organizational performance. There are plethora of studies examining and evaluating the antecedents and correlates of employees' commitment, but little efforts have been given towards studying the relationship between Organizational Commitment and Innovative Behavior of employees. The present study is a modest attempt to address the relationship between Organizational Commitment and Innovative behavior in Retail sector. Data were collected from 80 executives working in retail sector. Organizational Commitment was measured by using Allen and Meyers' Scale and Innovative behavior was measured by scale developed by Ishak. Data were analyzed using correlation and Multiple Regression. Results revealed that innovative behavior is positively related to affective commitment and negatively related to continuance commitment. In the similar way R Square showed that organizational commitment explain 14% of innovative behavior.
Wrapping an Arch in Concrete

A new method called the Concrete Lapping with Pre-erected Composite Arch Method (CLCA) is described, which is being used to construct the Asahi Bridge (in Japan) spanning 190 feet. Before selection of this method of construction, the article describes how the costs and characteristics were completely analyzed. In this method, tubular steel arches are erected first by building half of the arch on each side of the river. The completed steel arch tubes are pumped full of concrete to form a composite arch. This then acts as the falsework and is wraped with reinforced concrete to form the bridge arch. This method would provide a stiff and very stable falsework that would not intrude into the river bed below or require dismantling after construction. The details of designing the bridge and its construction are described.
HUMAN ERROR IN MINING: A MULTIVARIABLE ANALYSIS OF MINING ACCIDENTS/INCIDENTS IN QUEENSLAND, AUSTRALIA AND THE UNITED STATES OF AMERICA USING THE HUMAN FACTORS ANALYSIS AND CLASSIFICATION SYSTEM FRAMEWORK

ii ACKNOWLEDGEMENTS . iii LIST OF TABLES . viii LIST OF FIGURES . ix EXECUTIVE SUMMARY . 1 CHAPTER 1: INTRODUCTION . 4 CHAPTER 2: LITERATURE REVIEW . 7 2.1 Mining Regulations . 7 2.2 Mining Techniques . 9 2.3 Mining Accidents . 9 2.4 Injury Rate . 11 2.5 Human Error . 15 2.6 Human Error Taxonomies. 18 2.6. 1 SHEL Model . 18 2.6. 2 Incident Cause Analysis Method (ICAM) . 20 2.6. 3 Behavioral Safety (BeSafe) Method . 21 2.6. 4 Wheel of Misfortune . 22
Black-box modeling of a semi-active motorcycle damper

Different driving conditions demands different suspension settings, developing suspension systems often leads to a compromise between comfort, handling and driving characteristics. This problem, and the need to be able to implement more advanced suspension features led to the development of active and semi-active suspension systems. Suspension system manufacturer Öhlins Racing AB makes a semi-active system called CES, Continuously Controlled Electronic Suspension where the damping characteristics are controlled by a patented electronic CES valve. This master thesis project was initiated to create a black-box model of the CES system to be used for future control design improvement. When creating a black-box model the main concerns are experiment design and the modeling procedure. This thesis proposes an experiment design that emulates the desired behavior of the CES system in order to generate measurement data for a control relevant model. The modeling procedure is performed using three different model structures: Polynomial NARX, Sigmoid network NARX and Neuro-Fuzzy model structure. The results show that the complex and nonlinear behavior of the CES system makes modeling difficult, even in small areas of the operating range. The conclusions determine that the experiments have to be limited to only the really important dynamics for the model structures to be able to capture the behavior. The development of an iterative modeling software connected to a laboratory test rig is also proposed.
Dynamic Changes of the Colonic Microbiota in Rat during Severe Acute Pancreatitis

Background: The bacterial contamination of pancreatic necrosis in acute pancreatitis is supposed to occur through translocation of intestinal bacteria. To date, the pathophysiology of the underlying bacterial translocation is poorly understood. Increased gut permeability and gut flora dysbiosis may be the initial phenomenon in this process. The present study investigated the colonic microbiota alteration pattern as well as observed colonic epithelium change in rats with SAP. Method: Denaturing gradient gel electrophoresis (DGGE) was used to monitor the colonic microbiota of control rats and experimental rats that 2, 6,and 12 hours following severe acute pancreatitis which was induced by retrograde injection of sodium taurocholate into biliopancreatic duct. Colonic samples and its contents at 1 cm distal to the cecal-colonic junction was harvested for morphological studies, streptavidin-peroxidase immunohistochemistry examination.Results: Denaturing gradient gel electrophoresis of colonic microbiota showed that gut flora pattern changed early after severe acute pancreatitis, differed significantly at 6 hours of model was induced, and then started to recover towards normal pattern. The specific dysbiosis were characterized by Escherichia coli proliferation and Lachnospiraceae and Lactobacilli reduction. As shown by immunohistochemical staining, greatly reduced expressions of ZO-1 protein were detected in rats with SAP. And the structures of junctional complexes were disrupted and the gaps between cell junctions were wider after the SAP induced.Conclusions: Severe acute pancreatitis results in colonic flora dysbiosis. And tight junction in rats with SAP was disrupted in the intestinal epithelium. Both of them may be a key factor contributing to bacterial translocations in rats with SAP.
Segmentation et classification des signaux non-stationnaires : application au traitement des sons cardiaque et à l'aide au diagnostic

Cette these dans le domaine du traitement des signaux non-stationnaires, applique aux bruits du cœur mesures avec un stethoscope numerique, vise a concevoir un outil automatise et « intelligent », permettant aux medecins de disposer d’une source d’information supplementaire a celle du stethoscope traditionnel. Une premiere etape dans l’analyse des signaux du cœur, consiste a localiser le premier et le deuxieme son cardiaque (S1 et S2) afin de le segmenter en quatre parties : S1, systole, S2 et diastole. Plusieurs methodes de localisation des sons cardiaques existent deja dans la litterature. Une etude comparative entre les methodes les plus pertinentes est realisee et deux nouvelles methodes basees sur la transformation temps-frequence de Stockwell sont proposees. La premiere methode, nommee SRBF, utilise des descripteurs issus du domaine temps-frequence comme vecteur d’entre au reseau de neurones RBF qui genere l’enveloppe d’amplitude du signal cardiaque, la deuxieme methode, nommee SSE, calcule l’energie de Shannon du spectre local obtenu par la transformee en S. Ensuite, une phase de detection des extremites (onset, ending) est necessaire. Une methode d’extraction des signaux S1 et S2, basee sur la transformee en S optimisee, est discutee et comparee avec les differentes approches qui existent dans la litterature. Concernant la classification des signaux cardiaques, les methodes decrites dans la litterature pour classifier S1 et S2, se basent sur des criteres temporels (duree de systole et diastole) qui ne seront plus valables dans plusieurs cas pathologiques comme par exemple la tachycardie severe. Un nouveau descripteur issu du domaine temps-frequence est evalue et valide pour discriminer S1 de S2. Ensuite, une nouvelle methode de generation des attributs, basee sur la decomposition modale empirique (EMD) est proposee.Des descripteurs non-lineaires sont egalement testes, dans le but de classifier des sons cardiaques normaux et sons pathologiques en presence des souffles systoliques. Des outils de traitement et de reconnaissance des signaux non-stationnaires bases sur des caracteristiques morphologique, temps-frequences et non lineaire du signal, ont ete explores au cours de ce projet de these afin de proposer un module d’aide au diagnostic, qui ne necessite pas d’information a priori sur le sujet traite, robuste vis a vis du bruit et applicable dans des conditions cliniques.
Investigating the Validity of the Integrated Measure of Intercultural Sensitivity: Predicting Success in a Multicultural Workplace

In response to previous unsuccessful attempts to produce a valid measure of intercultural sensitivity, Weiss (2012) created the Integrated Measure of Intercultural Sensitivity (IMIS). The aim of the current thesis was to examine the validity of an English version of the IMIS. After back-translation of the scale, two studies were conducted. Study 1 tested the construct validity of the IMIS amongst a population of native English speakers. Study 2 investigated the predictive and incremental validity of the IMIS subscales in regard to outcomes relating to success in a multicultural workplace. The results of these two studies reveal that only one subscale is a valid predictor of such outcomes; this subscale did not predict additional variance when compared to existing predictive measures such as the Multicultural Personality Questionnaire and the Cultural Intelligence Scale. The results of these two studies indicate that the IMIS is not a valid measure of intercultural sensitivity; however the potential for a valid measure intercultural sensitivity is emphasized.
Analysis and Design of MHz-range Wireless Power Transfer Systems for Implantable Devices

Wearable and implantable devices are becoming more and more common as time goes by and one of the major bottlenecks in their development is the power delivery. In order to tackle this problem, energy harvesting arises an option to bring these devices one step closer to complete autonomy. Among the available mechanisms for harvesting, near-field inductive coupling appears as a good alternative due to the flexibility it offers in terms of size and output power. Although a certain level of maturity has been reached over the last decade, a sort of mysticism still exists around the wireless power transfer. To the author's best knowledge, none of the works found in literature addresses the entirety of the problem. Here, a comprehensive, generalized analysis and design are made starting from the from the very differentiation of the near and far-field regimes all the down to circuit design. Studying the inductively coupled interfaces allow us to estimate the performance of the link prior to any design attempt, serving as a very useful tool in the feasibility evaluation of certain application. In particular, models for the coupling factor and losses of the magnetic link are introduced. Emphasis is made on comparing the performance of the links in a resonant and non-resonant regime. An implantable device for neural stimulation/recording with a rechargeable Li-Ion as an energy storage is considered as our intended application. This requires us to realize an study of the impact of tissue in energy transfer and viceversa. From here, the circuit design of a wireless power transfer interface is presented. All circuit blocks necessary for transfer are designed and simulated, allowing us to have a complete overview of the system.
System Analysis and Implementation of Delta-Sigma Modulator Topologies with Low Gain Amplifiers in 90nm CMOS

Data converters are one of the key components in many applications ranging from wireless communication to data acquisitions system, sensors, audio electronics, video display electronics and analog microcontrollers. All of these use some type of data converter to perform the task of signal processing/condition for example in RF transceivers the received analog signal after passing through filters is converted to digital signal for further processing. The use of delta-sigma modulators nowadays are gaining popularity over the other A/D converters because of sampling and noise shaping. Also the architecture of delta sigma modulator is a mixed system, and digital filters are present (to remove noise in case of MASH architecture) so because of these reason many programmable features can be used in the applications employing delta sigma modulator. This thesis presents a type of delta sigma modulator which focuses on using of low gain operational amplifier and hence to operate at low voltage technologies and be more power efficient. Two topologies were presented, one having a single loop architecture but with a very highly aggressive NTF and other using multi-stage architecture with no additional digital filter to achieve the required specifications. The thesis presents the complete system analysis of the topologies, and the non-idealities modeling at system level. Then the transistor level design of the designed topologies was done in Cadence in 90nm CMOS. Each component of the designed modulator was tested individually at circuit level. The complete system was analyzed using the Verilog-A model.
Feature Extraction Using Attributed Scattering Center Models for Model-Based Automatic Target Recognition (ATR)

Abstract : "Feature Extraction using Attributed Scattering Center Models for Model-Based Automatic Target Recognition. " The primary research goal of the program was to develop fundamental understanding and advanced signal processing techniques for feature extraction to support feature-based automatic target recognition (ATR) systems employing synthetic aperture radar. This report summarizes the major technical accomplishments that were realized. We developed a set of attributed scattering center models for SAR ATR whose model primitives that balance between modeling fidelity and estimation accuracy. We developed computationally-efficient algorithms for automatic feature extraction of attributed scattering center features from complex SAR image-domain data. We analyzed feature uncertainty and derived analytical uncertainty bounds. We implemented stand-alone match scoring methods to evaluate target discriminability and feature estimation tradeoffs. We developed STAP/SFAP-Based Adaptive Antennas. We developed techniques for understanding rough surface scattering. We developed ultrawide bandwidth antennas, and slot array antennas with wide scan angles. Finally, we increased the U.S. technology base by training of graduate students and by disseminating research through technical publications and presentations.
Understand steam generator performance

Several variables affect the design and performance of packaged steam generators. Engineers should understand these parameters and their effects so that they can select cost-effective design options and write good specifications. Knowing how the steam parameters and efficiency vary with load can also help plant engineers plan their operation better. This article discusses the effects of such variables as excess air, fuel type, exit gas temperature, load, and emissions on generator design and operation. It also discusses some of the potential benefits of customized steam generators over standard, prepackaged designs, which often compromise on overall performance. The focus of the article is limited to gaseous and oil fuels.
Execution monitoring in multi-agent environments

Agents in dynamic multi-agent environments must monitor their peers and the environment to execute individual and group plans, to ascertain their progress, and to detect failures. In practice, however, agents cannot continuously monitor all surroundings and their peers. This leads to uncertainty about monitored agents' states, and aggravates computational requirements. A key open question is thus how to limit monitoring activities while providing effective monitoring: The Monitoring Selectivity Problem. We investigate this question in the context of monitoring in teams of cooperation agents, in three complex, dynamic multi-agent domains, and in service of different monitoring tasks: Monitoring for coordination and teamwork failures, and monitoring distributed teams via their communications. We provide empirical and analytical answers to the monitoring selectivity problem, via Socially-Attentive Monitoring, which focuses on using knowledge about the relationships between monitored agents and the procedures used to maintain these relationships. We explore a family of socially attentive teamwork failure-detection algorithms under varying conditions of task distribution and uncertainty. We show that a centralized scheme using a complex algorithm trades correctness for completeness and requires monitoring all teammates. In contrast, a simple distributed teamwork-monitoring algorithm exploits agents' local state and results in correct and complete detection of teamwork failures, despite relying on limited, uncertain knowledge, and monitoring only key agents in a team. In monitoring a distributed team, we present heuristics for talking monitoring uncertainty (which results from the limited overheard communications), and provide empirical results demonstrating that socially attentive techniques can significantly reduce the uncertainty in such monitoring. Furthermore, we explore monitoring algorithms which trade-off efficiency for expressivity's, resulting in a limited-expressivity's algorithm that can detect failures and provide high-accuracy monitoring of a team and its members, using a single, constant-space structure. In addition, we report on the design, constant space, structure. In addition, we report on the design of a socially attentive monitoring system and demonstrate its generality in monitoring several coordination relationships in providing quantitative teamwork evaluation, and in diagnosing detected failures.
Frequency Dependent Quality of HF-Communication Channels Estimated by Superresolution Direction Finding

Abstract : While Very High Frequency (VHF) communication systems develop rapidly, but nonetheless high frequency (HF) links remain important, particularly for military communication. Their efficiency depends strongly on the ionospheric conditions, especially during the passage of ionospheric disturbances. Usually networks of ionosondes are used to control the ionospheric state. But nonetheless the occurrence of Traveling Ionospheric Disturbances (TIDs) has attracted much less attention in frequency management. In this study a super-resolution HF direction finding (DF) system has been used to estimate the quality of HF-communication channels by the variation of the direction of arrival (DOA) of the waves impinging onto an array antenna. As another source for signal degradation the interference of different propagation modes has been found.
The Bootstrap

Let θ = T (F ) be an interesting parameter of a distribution function F , where T (.) is a functional of F . One simple example is T (F ) = ∫ xdF (x), which is the mean parameter of the distribution F . Another example is T (F ) = ∫ (x − ∫ ydF (y))dF (x), which is the variance parameter. Let X1, . , Xn be an i.i. d. sample from F , and we use F̂n to denote the empirical distribution which puts mass 1/n on each of Xi’s. An estimate of the parameter θ = T (F ) can often be constructed by using θ̂ = T (F̂n). For example, the estimator for the population mean θ = ∫ xdF (x) is the sample mean
For everything there was a season: phenological shifts in the Tetons ecosystem

Phenology — the timing of ecological events — is shifting as the climate warms. Grand Teton National Park biologists have identified this topic (“effect of earlier plant flowering on pollinators and wildlife”) as one of their priority research needs. To address this, we assembled phenological observations of first flowering dates for 48 species collected by Frank Craighead, Jr. in the 1970 and 80s. We hypothesized many species would be flowering earlier now. In 2016 we began standardized observations in the same locations targeting the same species plus 62 for a total of 110. We compare four years of contemporary to historic observations to demonstrate shifts in phenology, and use local weather data to identify the key climatic drivers. The largest effect is observed in early spring flowers, which are blooming ~17 days earlier. Mid-summer flowers bloom ~12 days earlier, and berries bloom ~7 days earlier. Not all species are emerging earlier, particularly late summer flowering plants. Also individual species within these functional groups differ in their responses. The greatest drivers of early spring and mid-summer flowering are average spring temperature (March, April, May) and the day of snow melt timing. Late summer flowers respond more to the accumulation of Growing Degree Days. Featured photo by Shawna Wolf, taken from the AMK Ranch photo collection.
The fuzzy decision of transformer economic operation

This paper presents a new intelligent method of fuzzy optimization, about the online decision-making of transformer economic operation. The method can automatically divide the daily load curve into several important time periods and regulate the transformer operation status within these periods to reduce the loss of energy in transformer to a minimum to achieve the goal of saving energy and increasing economic benefit. It makes the on-line intelligent control come true and it makes up the defection of previous on-line control methods of transformer economic operation. The result of simulation shows that the method is effective.