Miracle-dz/UniFAR-FTUs huggingface dataset:
The 2013 Nobel Prize in Chemistry Celebrates Computations in Chemistry and Biology

It was an exciting day for the fields of computational chemistry and biology when news of the 2013 Nobel Prize in Chemistry filtered in early on the morning of October 9, 2013. Awarded to Martin Karplus, Michael Levitt, and Arieh Warshel for the “development of multiscale models for complex chemical systems,” the prize provided a welcome “seal of approval” to a field that historically struggled behind experiment. This is not unlike the traditional division between pure and applied mathematics, stemming from the difference between using exact theories to solve ideal problems versus approximating complex physical systems to solve real problems. Historically, the results of simulations for biological and chemical systems were judged by their ability to reproduce experimental data. Thus, computational predictions had to pass the scrutiny of experimentalists, who employ direct, though not error-free, measurements, especially for large systems. If results from computations agreed with experiment, they were considered uninformative, but if they predicted properties ahead of experiment, they were considered unverifiable and hence unpublishable! In time, however, just as applied mathematics and computational science evolved into huge successful fields in their own right, computations in chemistry and biology are finally recognized not only as valid for making predictions and generating insights into physical systems, but as necessary for addressing complex problems we face in the 21st century. In fact, clever modeling ideas and methods for the design of appropriate algorithms are essential for discovering the information missing from products of current high-throughput technologies; this is because genome sequencing, microarrays, and other technologies and instrumentation produce voluminous amounts of genomic sequences and related data for systems whose structures, functions, and interactions are largely unknown. This is not the first time the Nobel committee celebrated computations. In 1998, the Nobel Prize in Chemistry was awarded to Walter Kohn for the development of density-functional theory, and to John Pople for the development of computational techniques and the pioneering program GAUSSIAN for quantum chemistry calculations. But this year’s prize-winning contributions are more general and perhaps more far-reaching. The separate work of the three laureates, and their interactions with each other and with others in the community, offer an opportunity to examine the history of the field and view how people, ideas, and technologies come together to shift existing paradigms. The prize also provides an exceptional occasion to look into the bright future of a field whose three powerful arms—physical experimentation, theory, and computer simulation—can lead to the solution of key problems ranging from the workings of individual proteins to the packaging of DNA, DNA repair and RNA editing processes, and interactions among and within cells, organs, and organisms (Figure 1).
Our Move: Using Chess to Improve Math Achievement for Students Who Receive Special Education Services.

This causal-comparative study evaluated a 30-week chess instructional program implemented within special education math classes for students in the sixth, seventh, and eighth grades in a suburban middle school located in the southwestern United States. An analysis of covariance (ANCOVA) was utilized to compare the adjusted means for the comparison and treatment groups on the students’ math achievement as measured by end-of-year course grades and state assessment scores, the Texas Assessment of Knowledge and Skills (TAKS). Pretest scores and grade levels served as covariates. Results indicated a significant difference on four of the measures in favor of the treatment group: end-of-year course grades, overall TAKS math scale scores, and percentage scores on two specific TAKS math objectives: Numbers, Operations, and Quantitative Reasoning and Probability and Statistics. No significant differences were found between the groups on the other four TAKS math objectives: Patterns, Relationships, and Algebraic Reasoning, Geometry and Spatial Reasoning, Concepts and Uses of Measurement, and Underlying Processes and Mathematical Tools. Causation and generalizability are difficult due to the narrow scope of this study. However, these results are encouraging and suggest chess is a potentially effective instructional tool for students who receive special education services in math.
Lateral Prefrontal Cortex Subregions Make Dissociable Contributions during Fluid Reasoning

Reasoning is a key component of adaptable “executive” behavior and is known to depend on a network of frontal and parietal brain regions. However, the mechanisms by which this network supports reasoning and adaptable behavior remain poorly defined. Here, we examine the relationship between reasoning, executive control, and frontoparietal function in a series of nonverbal reasoning experiments. Our results demonstrate that, in accordance with previous studies, a network of frontal and parietal brain regions is recruited during reasoning. Our results also reveal that this network can be fractionated according to how different subregions respond when distinct reasoning demands are manipulated. While increased rule complexity modulates activity within a right lateralized network including the middle frontal gyrus and the superior parietal cortex, analogical reasoning demand—or the requirement to remap rules on to novel features—recruits the left inferior rostrolateral prefrontal cortex and the lateral occipital complex. In contrast, the posterior extent of the inferior frontal gyrus, associated with simpler executive demands, is not differentially sensitive to rule complexity or analogical demand. These findings accord well with the hypothesis that different reasoning demands are supported by different frontal and parietal subregions.
Graph regularized low-rank feature learning for robust multi-label image annotation

Automatic image annotation has drawn much attention in the last two decades due to its application in social images organization. Most studies treat image annotation as a typical multi-label classification problem, which requires sufficient number of training samples with complete and clean tags to train reliable prediction models. Being aware of this drawback, we develop a novel graph regularized low-rank feature mapping for image annotation under semi-supervised learning framework. Specifically, our approach refers to the idea of matrix recovery and uses the matrix trace norm to capture the correlations among different tags. It also helps to control the model complexity. In addition, by using graph Laplacian regularization as a smooth operator, the proposed approach can explicitly take into account the local geometric structure on both labeled and unlabeled images. Moreover, considering the tags of labeled images tend to be missing or noisy, we introduce a supplementary ideal label matrix to solve the problems of missing tags and noisy tags for given training samples. A variety of experiments conducted on image datasets ESPGame, IAPRTC-12, and NUS-WIDE prove the effectiveness of the proposed approach.
Server load prediction using stream mining

Undoubtedly, Cloud computing is the ongoing trend that robbed the widespread concern. In fact, it succeeded in discharging users from computational and storage burden to offer them as services following pay-as-you-go principle. The substantial feature of Cloud is the ability to scale up with the rise of users' demands. However, Cloud performance falls into the duty of scaling up to fulfill the user requirements and the dramatically increase in energy consumption dilemma. In order to establish a certain trade-off, server consolidation tries to tackle this challenge by maximizing resources utilization per server in order to minimize the number of active servers. In fact, with the ever-growing demands on cloud services, cloud providers must be able to manage highly fluctuating workloads and avoids SLA violation. In this paper we are concerned by two main levels: Front-end and back-end. The former exhibits the set of users that utilize cloud services and the later is materialized by data centers where the factual load is carry out. It's significant to say that the front-end users are the leading responsible of the workload shape within data centers. We point out this fact in an attempt to further investigate the server workload within real time angle. The main goal of this paper is to formalize the server load according to users' behavior in term of submitted tasks and submission rate and to apply stream mining techniques as an introductory step to build a real time prediction system.
A Climatology and Comparison of Parameters for Significant Tornado Events in the United States

AbstractA sample of 448 significant tornado events was collected, representing a population of 1072 individual tornadoes across the contiguous United States from 2000 to 2008. Classification of convective mode was assessed from radar mosaics for each event with the majority classified as discrete cells compared to quasi-linear convective systems and clusters. These events were further stratified by season and region and compared with a null-tornado database of 911 significant hail and wind events that occurred without nearby tornadoes. These comparisons involved 1) environmental variables that have been used through the past 25–50 yr as part of the approach to tornado forecasting, 2) recent sounding-based parameter evaluations, and 3) convective mode. The results show that composite and kinematic parameters (whether at standard pressure levels or sounding derived), along with convective mode, provide greater discrimination than thermodynamic parameters between significant tornado versus either significant.
The reinforcing effects of chronic d‐amphetamine and morphine are impaired in a line of memory‐deficient mice overexpressing calcineurin

It has recently emerged that there is a commonality in the molecular mechanisms underlying long‐term neuronal changes in drug addiction and those mediating synaptic plasticity associated with learning and memory. In the hippocampus, the calcium–calmodulin‐dependent protein phosphatase calcineurin plays a pivotal role in the molecular mechanisms that underlie learning and memory functions. Transgenic mice that express an active form of calcineurin specifically in forebrain structures have previously been shown to have a deficit in the transition from short‐ to long‐term memory. Here, we investigated the involvement of calcineurin in the motivational effects of amphetamine and morphine using this line of transgenic mice (CN98). Our results showed that amphetamine and morphine did not induce conditioned place preference in calcineurin‐mutant mice, whereas food remained an efficient reinforcer. In addition, behavioural sensitization to these two drugs, as measured by horizontal locomotion, was disturbed in the transgenic mice. In contrast, neither the horizontal locomotion in response to acute d‐amphetamine or morphine nor the somatic signs of morphine withdrawal were affected in calcineurin mutant mice compared to their wild‐type littermates. Our data indicate that calcineurin‐mediated protein dephosphorylation in the hippocampus is involved in the long‐term effects of drugs of abuse without influencing the motivational response to a natural reward or the physical component of opioid withdrawal. The present results emphasize the essential role of hippocampal‐dependent learning and memory in the development of drug addiction.
The Social Life of Aeromonas through Biofilm and Quorum Sensing Systems

Bacteria of the genus Aeromonas display multicellular behaviors herein referred to as “social life”. Since the 1990s, interest has grown in cell-to-cell communication through quorum sensing signals and biofilm formation. As they are interconnected, these two self-organizing systems deserve to be considered together for a fresh perspective on the natural history and lifestyles of aeromonads. In this review, we focus on the multicellular behaviors of Aeromonas, i.e., its social life. First, we review and discuss the available knowledge at the molecular and cellular levels for biofilm and quorum sensing. We then discuss the complex, subtle, and nested interconnections between the two systems. Finally, we focus on the aeromonad multicellular coordinated behaviors involved in heterotrophy and virulence that represent technological opportunities and applied research challenges.
Insights into the Prostanoid Pathway in the Ovary Development of the Penaeid Shrimp Penaeus monodon

The prostanoid pathway converts polyunsaturated fatty acids (PUFAs) into bioactive lipid mediators, including prostaglandins, thromboxanes and prostacyclins, all of which play vital roles in the immune and reproductive systems in most animal phyla. In crustaceans, PUFAs and prostaglandins have been detected and often associated with female reproductive maturation. However, the presence of prostanoid biosynthesis genes remained in question in these species. In this study, we outlined the prostanoid pathway in the black tiger shrimp Penaeus monodon based on the amplification of nine prostanoid biosynthesis genes: cytosolic phospholipase A2, hematopoietic prostaglandin D synthase, glutathione-dependent prostaglandin D synthase, prostaglandin E synthase 1, prostaglandin E synthase 2, prostaglandin E synthase 3, prostaglandin F synthase, thromboxane A synthase and cyclooxygenase. TBLASTX analysis confirmed the identities of these genes with 51-99% sequence identities to their closest homologs. In addition, prostaglandin F2α (PGF2α), which is a product of the prostaglandin F synthase enzyme, was detected for the first time in P. monodon ovaries along with the previously identified PUFAs and prostaglandin E2 (PGE2) using RP-HPLC and mass-spectrometry. The prostaglandin synthase activity was also observed in shrimp ovary homogenates using in vitro activity assay. When prostaglandin biosynthesis was examined in different stages of shrimp ovaries, we found that the amounts of prostaglandin F synthase gene transcripts and PGF2α decreased as the ovaries matured. These findings not only indicate the presence of a functional prostanoid pathway in penaeid shrimp, but also suggest a possible role of the PGF2α biosynthesis in shrimp ovarian development.
Titin Determines the Frank-Starling Relation in Early Diastole

Titin, a giant protein spanning half the sarcomere, is responsible for passive and restoring forces in cardiac myofilaments during sarcomere elongation and compression, respectively. In addition, titin has been implicated in the length-dependent activation that occurs in the stretched sarcomere, during the transition from diastole to systole. The purpose of this study was to investigate the role of titin in the length-dependent deactivation that occurs during early diastole, when the myocyte is shortened below slack length. We developed a novel in vitro assay to assess myocyte restoring force (RF) by measuring the velocity of recoil in Triton-permeabilized, unloaded rat cardiomyocytes after rigor-induced sarcomere length (SL) contractions. We compared rigor-induced SL shortening to that following calcium-induced (pCa) contractions. The RF–SL relationship was linearly correlated, and the SL-pCa curve displayed a characteristic sigmoidal curve. The role of titin was defined by treating myocytes with a low concentration of trypsin, which we show selectively degrades titin using mass spectroscopic analysis. Trypsin treatment reduced myocyte RF as shown by a decrease in the slope of the RF-SL relationship, and this was accompanied by a downward and leftward shift of the SL-pCa curve, indicative of sensitization of the myofilaments to calcium. In addition, trypsin digestion did not alter the relationship between SL and interfilament spacing (assessed by cell width) after calcium activation. These data suggest that as the sarcomere shortens below slack length, titin-based restoring forces act to desensitize the myofilaments. Furthermore, in contrast to length-dependent activation at long SLs, length-dependent deactivation does not depend on interfilament spacing. This study demonstrates for the first time the importance of titin-based restoring force in length-dependent deactivation during the early phase of diastole.
Missed opportunities for influenza vaccination in children with chronic medical conditions.

OBJECTIVES To assess the frequency and characteristics of missed opportunities for influenza immunization in children with chronic medical conditions and, among unimmunized children in that group, to explore parent-reported reasons for not vaccinating their child. DESIGN Prospective cohort study. Data were obtained from billing and immunization registry databases and telephone interviews of parents. SETTING Four pediatric practices in metropolitan Denver, Colo, during the 2002-2003 influenza season. PARTICIPANTS Children aged 6 to 72 months with 1 or more chronic medical conditions. Main Outcome Measure A missed opportunity for influenza immunization, defined as having a billed encounter, being eligible for immunization, and not receiving vaccine. Subjects with asthma were analyzed separately from those with other conditions. RESULTS We identified 926 children with chronic conditions: 820 (89%) with asthma only and 106 (11%) with other conditions. Missed opportunities occurred at 78% of all vaccine-eligible visits for children with asthma and 74% of all visits for children with other conditions. For children with asthma, 92% of vaccine-eligible visits in December and January resulted in a missed opportunity vs 69% in October and November; for children with other conditions, corresponding frequencies were 86% vs 68%, respectively. For children with asthma, 86% of non-well-child visits resulted in a missed opportunity, compared with 62% of well-child visits; similar frequencies were seen among children with other chronic conditions. Parents of unimmunized children reported lack of a physician recommendation and low perceived susceptibility to influenza as the primary reasons for not immunizing their child. CONCLUSION Missed opportunities contribute significantly to low influenza immunization rates among children with chronic medical conditions.
The Intergenerational Effects of Parental Divorce on Young Adult Relationships

ABSTRACT Due to the current high rates of divorce, many young adults have experienced the effects of parental divorce. Although a large body of research has investigated both the positive and negative intrapersonal implications of divorce for individuals, relatively little research has looked at the interpersonal effects of parental divorce. Yet divorce likely influences both parent-child relationships and young adult romantic relationships. The purpose of this study was to explore more fully how parental divorce affects young adult relationships by investigating the relationship between divorce and parent-adult child relationship quality, perceived comfort within close relationships (i.e., attachment), romantic relationship satisfaction, and individual distress (depression, anxiety, and stress). Data analysis revealed that those who experience parental divorce are more likely to have lower parental regard, report lower relationship satisfaction, and experience relationship distress than those who did not even when controlling for the overall family environment. Clinicians may utilize the results of this study when working with individuals, couples, and families where divorce has occurred.
Experience With a Clinical Decision Support System in Community Pharmacies to Recommend Narrow-Spectrum Antimicrobials, Nonantimicrobial Prescriptions, and OTC Products to Decrease Broad-Spectrum Antimicrobial Use

BACKGROUND: Overuse of antibiotics increases the incidence of bacterial resistance and contributes avoidable costs to the health care system. OBJECTIVES: To determine the feasibility of a protocol-driven community pharmacy intervention that was designed to decrease broad-spectrum antimicrobial (BSA) use in patients with upper respiratory tract infections. METHODS: The intervention involved pharmacists who conducted guided interviews regarding patient symptoms in a cohort of patients with BSA prescription visiting 2 rural community pharmacies during peak respiratory illness season. A clinical decision support system was provided to aid in pharmacist diagnosis and assist in determining if the BSA therapy was appropriate. Upon patient consent, pharmacists attempted to contact primary care providers (PCPs) to confirm the diagnosis and recommend appropriate alternative therapy. RESULTS: There were 192 subjects with prescriptions for BSAs and symptoms of respiratory tract infection. Only 3% of the patients who were approached declined to discuss their symptoms and treatment with the pharmacist. A mean of 3 minutes was required to collect symptom and treatment information from the patients. However, when patients were asked if the pharmacist could contact their PCP to recommend alternative therapy, only 7% (n=4) of patients agreed to the intervention. The PCPs who were contacted by pharmacists were receptive to altering the BSA to first-line antimicrobial therapy such as amoxicillin or doxycycline. CONCLUSIONS: Despite a description of the importance of the intervention, more than 90% of patients prescribed a BSA declined to permit the community pharmacist to contact the prescriber to discuss first-line therapeutic alternatives. This experience in a pilot study to explore the feasibility of pharmacist intervention at the point of dispensing of a BSA made clear that a successful community pharmacy intervention to reduce BSA use would require an alternative method, perhaps via a collaborative practice protocol that does not require patient consent to make the drug substitution to first-line antibiotic therapy.
Dual Channel Gradient feature for person re-identification

Recently, several effective features were proposed for person re-identification, such as Weight Histograms of Overlapping Stripes (WHOS) and Local Maximal Occurrence (LOMO), but it still need to explore new effective feature to improve the precision for person re-identification. So, in this paper, we proposed a new Dual Channel Gradient feature, which can be fused with WHOS and LOMO by directly concatenating the normalized histograms. Experimental results showed that the fused feature can achieve the state-of-the-art accuracy, on four public datasets with two different metric learning methods.