Miracle-dz/UniFAR-FTUs huggingface dataset:
Thermodynamics of Protein–Ligand Interactions: History, Presence, and Future Aspects

The understanding of molecular recognition processes of small ligands and biological macromolecules requires a complete characterization of the binding energetics and correlation of thermodynamic data with interacting structures involved. A quantitative description of the forces that govern molecular associations requires determination of changes of all thermodynamic parameters, including free energy of binding (ΔG), enthalpy (ΔH), and entropy (ΔS) of binding and the heat capacity change (ΔCp). A close insight into the binding process is of significant and practical interest, since it provides the fundamental know-how for development of structure-based molecular design strategies. The only direct method to measure the heat change during complex formation at constant temperature is provided by isothermal titration calorimetry (ITC). With this method one binding partner is titrated into a solution containing the interaction partner, thereby generating or absorbing heat. This heat is the direct observable that can be quantified by the calorimeter. The use of ITC has been limited due to the lack of sensitivity, but recent developments in instrument design permit to measure heat effects generated by nanomol (typically 10–100) amounts of reactants. ITC has emerged as the primary tool for characterizing interactions in terms of thermodynamic parameters. Because heat changes occur in almost all chemical and biochemical processes, ITC can be used for numerous applications, e.g., binding studies of antibody–antigen, protein–peptide, protein–protein, enzyme–inhibitor or enzyme–substrate, carbohydrate–protein, DNA–protein (and many more) interactions as well as enzyme kinetics. Under appropriate conditions data analysis from a single experiment yields ΔH, KB, the stoichiometry (n), ΔG and ΔS of binding. Moreover, ITC experiments performed at different temperatures yield the heat capacity change (ΔCp). The informational content of thermodynamic data is large, and it has been shown that it plays an important role in the elucidation of binding mechanisms and, through the link to structural data, also in rational drug design. In this review we will present a comprehensive overview to ITC by giving some historical background to calorimetry, outline some critical experimental and data analysis aspects, discuss the latest developments, and give three recent examples of studies published with respect to macromolecule–ligand interactions that have utilized ITC technology.
A decision directed receiver for Alamouti coded OFDM systems

When the Alamouti code is applied (as a space-time block code) to an OFDM system with transmit diversity, the simple Alamouti decoding requires that each subchannel is flat-fading and constant over two symbol periods (Alamouti codeword period). The second requirement makes the Alamouti decoding scheme not suitable for time varying channels. In this paper, we propose a new decision directed receiver to better accommodate time varying channels.
State smoothing in Markov-switching time-frequency GARCH models

In this letter, we propose a state smoothing algorithm for path-dependent Markov-switching generalized autoregressive conditional heteroscedasticity (GARCH) processes. Our smoothing technique extends the forward-backward recursions of Chang and Hancock and the stable backward recursion of Lindgren, Askar and Derin. We derive two recursive steps for the evaluation of conditional densities of future observations. The first step is an upward recursion that manipulates the future observations for the evaluation of their conditional densities, and the second step is a backward recursion that integrates over the possible future paths. Experimental results demonstrate the improvement in performance, compared to using causal estimation.
The effectiveness of probation supervision towards reducing reoffending: A Rapid Evidence Assessment

In response to the lack of universal agreement about ‘What Works’ in probation supervision (Trotter, 2013) we undertook a Rapid Evidence Assessment of the empirical literature. Our analysis of research into the effect of probation supervision reducing reoffending included 13 studies, all of which employed robust research designs, originating in the USA, UK, Canada and Australia, published between 2006 and 2016. We describe the papers included in our review, and the meta-analyses of their findings. Overall, we found that the likelihood of reoffending was shown to be lower for offenders who had been exposed to some type of supervision. This finding should be interpreted cautiously however, given the heterogeneity of the studies. We suggest future research and methodological considerations to develop the evidence base concerning the effectiveness of probation supervision.
Telomerase Dependence of Telomere Lengthening in ku80 Mutant Arabidopsis Article, publication date, and citation information can be found at www.plantcell.org/cgi/doi/10.1105/tpc.008623.

We have identified a ku80 mutant of Arabidopsis and show that telomerase is needed to generate the longer telomeres observed in this mutant. Telomeres are specialized nucleoprotein structures at the ends of chromosomes that permit cells to distinguish chromosome ends from double-strand breaks, thus preventing chromosome fusion events. Ku80 deficiency results in the lengthening of telomeres, a phenotype also seen in an Arabidopsis ku70 mutant. Furthermore, homogeneous populations of ku80 mutant cells show a steady increase in the length of telomere tracts, which reach an equilibrium length and then stabilize. In contrast to that in mammals, Ku80 deficiency in Arabidopsis cells does not cause end-to-end fusion of chromosomes. This telomere lengthening is dependent on the presence of telomerase, although it is not attributable to a significant increase in telomerase activity per se. These results demonstrate the essential role of the Ku80 protein as a negative regulator of telomerase function in plant cells.
An investigation into the efficacy of a cognitive behavioural therapy group for low self-esteem in a primary care setting

Abstract Self-esteem refers to how an individual appraises themselves and is associated with good mental health. A number of studies have identified the efficacy of cognitive behavioural therapy (CBT) in the treatment of low self-esteem based on the formulation and treatment trajectory developed by Fennell (1999). However, there has been little empirical enquiry into the efficacy of the programme delivered in primary care. The current study investigated the effectiveness of a CBT programme for low self-esteem delivered within primary care. Fifty-four participants attended a 9-week ‘Boost Your Mood’ group programme. Paired sample t-tests were conducted on pre- and post-group scores on measures of depression, anxiety and self-esteem. Results indicated that there were statistically significant improvements in levels of depression, anxiety and self-esteem post-treatment. Findings are consistent with the suggestion that group CBT may be effective at increasing levels of self-esteem and reducing levels of depression and anxiety when delivered in a primary care setting.
Chromatic Dispersion Compensation Using Filter Bank Based Complex-Valued All-Pass Filter

A long-haul transmission of 100 Gb/s without optical chromatic-dispersion (CD) compensation provides a range of benefits regarding cost effectiveness, power budget, and nonlinearity tolerance. The channel memory is largely dominated by CD in this case with an intersymbol-interference spread of more than 100 symbol durations. In this paper, we propose CD equalization technique based on nonmaximally decimated discrete Fourier transform (NMDFT) filter bank (FB) with non-trivial prototype filter and complex-valued infinite impulse response (IIR) all-pass filter per sub-band. The design of the sub-band IIR all-pass filter is based on minimizing the mean square error (MSE) in group delay and phase cost functions in an optimization framework. Necessary conditions are derived and incorporated in a multi-step and multi-band optimization framework to ensure the stability of the resulting IIR filter. It is shown that the complexity of the proposed method grows logarithmically with the channel memory, therefore, larger CD values can be tolerated with our approach.
The study of value : social, economic and political dimensions of palace complexes at El Zotz

The concentration of wealth and resources under the control of a privileged few – the elites – has shaped the ways we perceive modern societies and the ways we study ancient states. Elite groups feature prominently within the archaeological research of ancient Maya societies, not least because of the monumental architecture associated with them and the glyphic inscriptions providing us with their names and titles. The growth of an elite class through time led to the emergence of multiple elite households coexisting, sharing, and competing for the political powers within ancient Maya polities. This thesis investigates the dimensions and relationships among various elite households excavated at the ancient Maya site of El Zotz, Peten, Guatemala. The key facets of the social, economic and political networks at the site are identified through trends in consumption behaviour by five different populations through time. Theories of value underpinning the current work state that various types of objects carried different ‘values’ which ultimately affected the ways these objects were distributed within societies, and determined which population groups were granted access to distribution networks. The consumption behaviour of elites and the distribution networks at El Zotz are investigated through the study of ceramic remains. Typological and modal analyses of El Zotz pottery employed in the current research highlight the extent to which limited access to goods existed within ancient Maya societies. Multiple lines of quantitative, statistical and qualitative analysis of El Zotz ceramics prove that various households at the site had access to the distribution networks of ‘high-value’ objects, but the accumulation of wealth across elite compounds changed through time. Therefore, the elite lineages of El Zotz experienced various socio-economic shifts, much like other sites in the Peten region, which affected their ability to accumulate wealth at different points in history.
NOTCH2 signaling confers immature morphology and aggressiveness in human hepatocellular carcinoma cells

The NOTCH family of membranous receptors plays key roles during development and carcinogenesis. Since NOTCH2, yet not NOTCH1 has been shown essential for murine hepatogenesis, NOTCH2 rather than NOTCH1 may be more relevant to human hepatocarcinogenesis; however, no previous studies have supported this hypothesis. We therefore assessed the role of NOTCH2 in human hepatocellular carcinoma (HCC) by immunohistochemistry and cell culture. Immunohistochemically, 19% of primary HCCs showed nuclear staining for NOTCH2, indicating activated NOTCH2 signaling. NOTCH2-positive HCCs were on average in more advanced clinical stages, and exhibited more immature cellular morphology, i.e. higher nuclear-cytoplasmic ratios and nuclear densities. Such features were not evident in NOTCH1-positive HCCs. In human HCC cell lines, abundant NOTCH2 expression was associated with anaplasia, represented by loss of E-cadherin. When NOTCH2 signaling was stably downregulated in HLF cells, an anaplastic HCC cell line, the cells were attenuated in potential for in vitro invasiveness and migration, as well as in vivo tumorigenicity accompanied by histological maturation. Generally, inverse results were obtained for a differentiated HCC cell line, Huh7, manipulated to overexpress activated NOTCH2. These findings suggested that the NOTCH2 signaling may confer aggressive behavior and immature morphology in human HCC cells.
Markerless augmented reality based on local binary pattern

Augmented reality is becoming the future of e-commerce, throw their mobile devices, customers have access to all kind of information, going from weather, news papers, shops and so on. Today's mobiles devices are so powerful to the point that they can be used as a platform of virtual try-on systems. Over this paper we present a virtual eye glasses try-on system based on augmented reality and LBP for face and eyes detection. The well-known machine learning Ada Boost algorithm is used for real time eyes tracking, the resulting face and eyes positions are continuously utilized to overlay the glasses model over the face. The system helps evaluating glasses before trying them in the store and makes possible the design of its own style.
ISO 14001 and 26001, Agents of Change in the SMEs

At present, business strategies in SMEs (Small and medium enterprises) are crucial for consolidation in highly competitive markets, in achieving a better image and in business profitability. One of the strategies that have the most success and business success are sustainable practices and social responsibility such as: ISO 14001 and ISO 26001. The literature related to sustainable business is based mainly on the theory of resources and capabilities, and in theory based on Stakeholders. These currents state that companies should focus on profitable strategies to ensure significant and long-term results, in order to achieve organizational and financial results for stakeholders. In this work, the sample consists of 215 companies from the commerce, services and industry sectors, located in the southern region of the State of Sonora in Mexico. The objective of the work is to analyze the influence of ISO 14001 and 26001 standards on the image and profitability of SMEs. The statistical analysis of the data has been carried out through the linear regression technique by OLS (Ordinary Least Squares). The findings prove that the ISO 14001 standard is the one that most influences the improvement of the business image and the level of profitability of the SME. In addition, we discovered that ISO 26001 has a partial influence on the image and profitability of the SME.
Introduction to spin-polarized ballistic hot electron injection and detection in silicon

Ballistic hot electron transport overcomes the well-known problems of conductivity and spin lifetime mismatch that plague spin injection attempts in semiconductors using ferromagnetic ohmic contacts. Through the spin dependence of the mean free path in ferromagnetic thin films, it also provides a means for spin detection after transport. Experimental results using these techniques (consisting of spin precession and spin-valve measurements) with silicon-based devices reveals the exceptionally long spin lifetime and high spin coherence induced by drift-dominated transport in the semiconductor. An appropriate quantitative model that accurately simulates the device characteristics for both undoped and doped spin transport channels is described; it can be used to recover the transit-time distribution from precession measurements and determine the spin current velocity, diffusion constant and spin lifetime, constituting a spin ‘Haynes–Shockley’ experiment without time-of-flight techniques. A perspective on the future of these methods is offered as a summary.
Business process simulation

This introductory tutorial provides an overview of business process simulation, describes the modeling and analysis considerations, and lists typical model input, simulation and output requirements. A classification of simulation software products is provided to aid the user in understanding the business process simulation tools. Finally, a simulation exercise is presented to illustrate the power and suitability of simulation for analyzing a business process.
Can Ego-Depletion Be Helpful? Testing the Process Model Implication That Ego-Depletion Reduces Irrational Persistence

ABSTRACT The present research investigated the effect of state self-control on irrational persistence, which refers to pursuing a course of action beyond when the effort can no longer be justified given the cost of persisting and/or probability of success. In 3 studies, ego-depletion reduced the level of irrational persistence displayed by participants. In Study 1, ego-depleted participants were less tolerant of ineffective default computer settings that wasted their time. In Study 2, ego-depleted participants solved more anagrams than nondepleted participants when given only a limited amount of time to solve anagrams that ranged from easy to difficult and skipping was allowed. Study 3 conceptually replicate the effect of Study 2 but produced a smaller effect size.
Do infants prefer prosocial others? A direct replication of Hamlin & Wynn (2011)

Within the last five years, social sciences, especially psychology, have seen problems with replicability and reproducibility. A growing body of evidence suggests that low powered studies, undisclosed statistical flexibility and lack of pre-specified study standards are all contributing factors to a low rate of replicability. Within the realm of infant social evaluation, a topic of both theoretical interest and empirical controversy, both replications and nonreplications exist. Given this, and the movement toward replication in psychology in general, this paper will present results from a pre-registered direct replication of Hamlin & Wynn’s (2011) “box scenario,” which examines whether preverbal infants prefer prosocial to antisocial others. The box scenario is a puppet show that involves three puppet characters: a prosocial dog (“the Helper”), an antisocial dog (“the Hinderer”), and the protagonist, a horse. The scene begins with the Helper and Hinderer puppets sitting in the corners of the stage. In the centre of the stage is a clear plastic box that contains a brightly coloured rattle. The horse enters the stage, runs over to the side of the box and leans down to peer inside and pops back up with excitement. The horse then jumps on top of the box and attempts to open it but is unable to do so. On the final attempt, the Helper or Hinderer intervene. During the prosocial event, the Helper assists the horse by pulling the lid open. Alternatively, in the antisocial event, the Hinderer jumps on top of the box and slamming it shut keeping the horse from getting the toy. The prosocial and antisocial events are presented in alternation until the infant is habituated. After watching the show, the infant is presented with the Helper and Hinderer and asked to pick between them. Our pre-registered sample did not replicate the original finding. However, when including all infants tested in the box scenario, the finding did indeed replicate. Our findings add to the scientific understanding of
ISAR imaging of maneuvering targets via matching pursuit

An algorithm based on matching pursuit (MP) technique is proposed for inverse synthetic aperture radar (ISAR) imaging of maneuvering targets. The received ISAR echo is decomposed into many basis sub-signals that are generated by discretizing the target spatial domain and synthesizing the ISAR data for every discretized spatial position, and then the ISAR imaging problem is converted into the sub-signal selection problem. The basis sub-signals that indeed contribute to the ISAR echo are selected by using the MP technique, and the projection coefficients of the ISAR echo on the selected basis sub-signals represent the ISAR image. In the case of unknown rotation rate of the target, the true rotation rate is obtained by combining the MP technique with the maximum contrast search. Numerical examples show that the proposed algorithm can produce high resolution and remove sidelobe artifacts.
Realizing Safety Applications with the Industrial PC

The use of IPCs for safety functions is mainly based on the high quality of modern IPCs and the firmware tailored to them. The successful development of fail-safe I/O terminals and the high standard of fail-safe communication, such as Safety over EtherCAT, contribute to their successful usage. But how should calculations on a PC-based control system with provable safety be made? The tasks of fail-safe automation systems are to detect errors with proven high probability and to deploy a technology 25 Years of PC Control | 08/2011
Competitive Bidding in Auctions with Private and Common Values

The objects for sale in most auctions possess both private and common value elements. This salient feature has not yet been incorporated into a strategic analysis of equilibrium bidding behaviour. This paper reports such an analysis for a stylised model in which bidders receive a private value signal and an independent common value signal. We show that more uncertainty about the common value has a negative effect on efficiency. Information provided by the seller decreases uncertainty, which raises efficiency and seller's revenues. Efficiency and revenues are also higher when more bidders enter the auction.
Knowledge, Attitudes and Practices of Sustainability: Systematic Review 1990–2016

Abstract For any transition towards sustainability to be successful, it is necessary to understand the knowledge, attitudes and practices (KAP) – related to sustainability – in different populations. A systematic review was conducted to identify and analyse KAP studies on sustainability that were reported in the scientific literature during the period of 1990–2016. Ten studies were found, of which half were conducted among populations in educational environments, i.e., teachers, students and graduates. The KAP results vary among the studies; however, there is a general tendency to investigate aspects related to ecosystems, natural resources, environmental protection and conservation. The present study concludes that it is necessary to conduct KAP studies that include categories that reflect on the wide range of meanings of sustainability and the attitudes and practices that would arise from such perspectives. This finding also reveals dimensions of sustainability usually omitted by KAP studies of sustainability.
If I Feel Ticklish, I Will Keep My Distance, but If I Feel Itchy, I Will Approach You: Ticklish and Itchy Sensations Influence the Interpersonal Distance

Studies have found metaphor-consistent effects for certain cutaneous sensations. However, no research to date has investigated the influence of ticklish and itchy sensations on social proximity. This study examined possible metaphor-consistent effects between these sensations and social proximity. Participants looked at a photograph inducing a ticklish or an itchy sensation and responded to a questionnaire inquiring about interpersonal distances. Results indicated that participants in the tickling condition desired to maintain more distance to medium-intimate others, whereas those in the itchy condition desired to maintain less distance. These findings confirmed the metaphor-consistent effects of these sensations on social proximity. Theoretical implications of this finding are discussed.
Active Queue Management for Flow Congestion Control in wireless network

The queue management are flow fairness and queuelength stability However, most prior works dealt with these goals independently. This paper presents two recommendations to the Internet community concerning measures to improve and preserve Internet performance. It presents a strong recommendation for testing, standardization and widespread deployment of active queue management in routers to improve the performance of today's Internet. It also urges a concerted effort of research, measurement, and ultimate deployment of router mechanisms to protect the Internet from flows that are sufficiently responsive to congestion notification.