jimnoneill/paper-to-field-training huggingface dataset:
QM/MM Reweighting Free Energy SCF for Geometry Optimization on Extensive Free Energy Surface of Enzymatic Reaction

Field: Chemistry (Physical Sciences)

We developed a quantum mechanical/molecular mechanical (QM/MM) free energy geometry optimization method by which the geometry of a quantum chemically treated (QM) molecule is optimized on a free energy surface defined with thermal distribution of the surrounding molecular environment obtained by molecular dynamics simulation with a molecular mechanics (MM) force field. The method called QM/MM reweighting free energy self-consistent field combines a mean field theory of QM/MM free energy geometry optimization developed by Yamamoto (Yamamoto, T. <i>J. Chem. Phys.</i> <b>2008</b>, <i>129</i>, 244104) with a reweighting scheme for updating the MM distribution introduced by Hu et al. (Hu, H., et al. <i>J. Chem. Phys.</i> <b>2008</b>, <i>128</i>, 034105) and features high computational efficiency suitable for exploring the reaction free energy surface of extensive protein conformational space. The computational efficiency with improved treatment of a long-range electrostatic (ES) interaction using the Ewald summation technique permits one to take into account global conformational relaxation of an entire protein of an enzyme in the free energy geometry optimization of its reaction center. We applied the method to an enzymatic reaction of a substrate complex of psychrophilic α-amylase from Antarctic bacterium Pseudoalteromonas haloplanktis and succeeded in geometry optimizations of the reactant and the product of the catalytic reaction that involve large conformational changes of protein loops adjacent to the reaction center on time scales reaching sub-microseconds. We found that the adjacent loops in the reactant and the product form in different conformations and produce catalytic ES potentials on the reaction center.
ANALYSIS OF THE EFFECT OF RETURN ON ASSETS, EARNINGS PER SHARE, INFLATION RATE, AND INTEREST RATE ON STOCK RETURN: A CASE STUDY OF SOE BANKING COMPANIES LISTED IN INDONESIA STOCK EXCHANGE

Field: Economics, Econometrics and Finance (Social Sciences)

One of the means for medium and long-term investments is the capital market. Capital market is the most effective means for investors to invest in profits. This research aims to analyze the effect of changes in Return on Assets (ROA), Earnings per Share (EPS), Inflation Rate, and Interest Rate on stock return in SOE banks listed on the Indonesia Stock Exchange within the research period of 2012-2016. This research uses secondary data. The research population is the financial statements of 4 Persero Banks including PT Bank Negara Indonesia Tbk, PT Bank Rakyat Indonesia Tbk, PT Bank Mandiri Tbk, and PT Bank Tabungan Negara Tbk within the research period of 5 years from 2012 to 2016. Research sampling was conducted using the purposive sampling method. The data analysis was carried out using classical assumption test, multiple linear regression analysis, t-test, and F-test with the help of SPSS 19. The research findings showed that the Interest Rate partially has a significant effect on Stock Return. Meanwhile, ROA, EPS, and Inflation Rate partially do not have a significant effect on Stock Return. Moreover, simultaneously ROA, EPS, Inflation Rate and Interest Rate have a significant effect on Stock Return.
Stability of Linear Fractional Differential Equations with Delays: a coupled Parabolic-Hyperbolic PDEs formulation.

Field: Mathematics (Physical Sciences)

Fractional differential equations with delays are ubiquitous in physical systems, a recent example being time-domain impedance boundary conditions in aeroacoustics. This work focuses on the derivation of delay-independent stability conditions by relying on infinite-dimensional realisations of both the delay (transport equation, hyperbolic) and the fractional derivative (diffusive representation, parabolic). The stability of the coupled parabolic-hyperbolic PDE is studied using straightforward energy methods. The main result applies to the vector-valued case. As a numerical illustration, an eigenvalue approach to the stability of fractional delay systems is presented.
Failing to Fail: The Effect of Cognitive Biases on Investment in Innovation

Field: Business, Management and Accounting (Social Sciences)

There is a growing literature on the positive role that failure may play in organizational learning. Hypothetically, firms that can learn from past failures in innovation may be able to leverage that knowledge to eventually create newer, better projects generating a competitive advantage for the firm. In this paper, I hypothesize that failure may also be advantageous by correcting a firm's judgments about the quality of its products under development. This is important from a resource allocation perspective: firms that can more objectively judge their products in their pipeline will be better able to
Refined bilinear Strichartz estimates with application to the well-posedness of periodic generalized KdV type equations

Field: Mathematics (Physical Sciences)

We improve our previous result [L. Molinet and T. Tanaka, Unconditional well-posedness for some nonlinear periodic one-dimensional dispersive equations, J. Funct. Anal. 283 (2022), 109490] on the Cauchy problem for one dimensional dispersive equations with a quite general nonlinearity in the periodic setting. Under the same hypotheses that the dispersive operator behaves for high frequencies as a Fourier multiplier by $ i |ξ|^αξ$ with $ 1 \le α\le 2 $, and that the nonlinear term is of the form $ \partial_x f(u) $ where $f $ is a real analytic function whose Taylor series around the origin has an infinite radius of convergence, we prove the unconditional LWP of the Cauchy problem in $H^s(\mathbb{T}) $ for $ s\ge 1-\fracα{4} $ with $ s>1/2 $. It is worth noting that this result is optimal in the case $α=2$ (generalized KdV equation) in view of the restriction $ s>1/2 $ for the continuous injection of $ H^s(\mathbb{T}) $ into $ L^\infty(\mathbb{T}) $. Our main new ingredient is the replacement of refined Strichartz estimates with refined bilinear estimates in the treatment of the worst resonant interactions. Such refined bilinear estimates already appeared in the work of Hani in the context of Schrödinger equations on a compact manifold. Finally, the main theorem yields global existence results for $ α\in [4/3,2] $.
Risk aversion and life cycle decisions

Field: Economics, Econometrics and Finance (Social Sciences)

This paper tries to find a relation between an individuals’ risk attitude and the fact whether he/she is married, has children or is divorced. This paper finds no significant relation between an individuals’ risk attitude and whether he/she is married or has children. It does find that the odds of an individual who is risk seeking to be divorced are more than the odds for an individual who is not divorced. This paper also surprisingly finds that risk-seeking males have higher the odds to be married compared to risk seeking women. However this effect is only significant in the subsample and at 10% significance level.
Works of Game: On the Aesthetics of Games and Art

Field: Arts and Humanities (Social Sciences)

Games and art have intersected at least since the early twentieth century, as can be seen in the Surrealists’ use of Exquisite Corpse and other games, Duchamp’s obsession with Chess, and Fluxus event scores and boxes—to name just a few examples. Over the past fifteen years, the synthesis of art and games has clouded for both artists and gamemakers. Contemporary art has drawn on the tool set of videogames, but has not considered them a cultural form with its own conceptual, formal, and experiential affordances. For their part, game developers and players focus on the innate properties of games and the experiences they provide, giving little attention to what it means to create and evaluate fine art. In Works of Game, John Sharp bridges this gap, offering a formal aesthetics of games that encompasses the commonalities and the differences between games and art. Sharp describes three communities of practice and offers case studies for each. “Game Art,” which includes such artists as Julian Oliver, Cory Arcangel, and JODI (Joan Heemskerk and Dirk Paesmans) treats videogames as a form of popular culture from which can be borrowed subject matter, tools, and processes. “Artgames,” created by gamemakers including Jason Rohrer, Brenda Romero, and Jonathan Blow, explore territory usually occupied by poetry, painting, literature, or film. Finally, “Artists’ Games”—with artists including Blast Theory, Mary Flanagan, and the collaboration of Nathalie Pozzi and Eric Zimmerman—represents a more synthetic conception of games as an artistic medium. The work of these gamemakers, Sharp suggests, shows that it is possible to create game-based artworks that satisfy the aesthetic and critical values of both the contemporary art and game communities.
Reduced free asparagine in wheat grain resulting from a natural deletion of TaASN-B2: investigating and exploiting diversity in the asparagine synthetase gene family to improve wheat quality

Field: Agricultural and Biological Sciences (Life Sciences)

Abstract Background: Understanding the determinants of free asparagine concentration in wheat grain is necessary to reduce levels of the processing contaminant acrylamide in baked and toasted wheat products. Although crop management strategies can help reduce asparagine levels, breeders have limited options to select for genetic variation underlying this trait. Asparagine synthetase enzymes catalyse a critical step in asparagine biosynthesis in plants and, in wheat, are encoded by five homeologous gene triads that exhibit distinct expression profiles. Within this family, TaASN2 genes are highly expressed during grain development but TaASN-B2 is absent in some varieties. Results: Natural genetic diversity in the asparagine synthetase gene family was assessed in different wheat varieties revealing instances of presence/absence variation and other polymorphisms, including some predicted to affect the function of the encoded protein. The presence and absence of TaASN-B2 was determined across a range of UK and global common wheat varieties and related species, showing that the deletion encompassing this gene was already present in some wild emmer wheat genotypes. Expression profiling confirmed that TaASN2 transcripts were only detectable in the grain, while TaASN3.1 genes were highly expressed during the early stages of grain development. TaASN-A2 was the most highly expressed TaASN2 homeologue in most assayed wheat varieties. TaASN-B2 and TaASN-D2 were expressed at similar, lower levels in varieties possessing TaASN-B2 . Expression of TaASN-A2 and TaASN-D2 did not increase to compensate for the absence of TaASN-B2, so total TaASN2 expression was lower in varieties lacking TaASN-B2 . Consequently, free asparagine levels in field-produced grain were, on average, lower in varieties lacking TaASN-B2 , although the effect was lost when free asparagine accumulated to very high levels as a result of sulphur deficiency. Conclusions : Selecting wheat genotypes lacking the TaASN-B2 gene may be a simple and rapid way for breeders to reduce free asparagine levels in commercial wheat grain.
Quality Change of Apple Slices Coated with Aloe vera Gel during Storage

Field: Agricultural and Biological Sciences (Life Sciences)

Abstract Fresh‐cut apples are easily susceptible to browning and microbial spoilage. In this study, an edible coating prepared from Aloe vera gel containing antibrowning solution was applied to preserve the quality of fresh‐cut apples during storage. Fresh‐cut apples were treated with both an Aloe vera gel and an Aloe vera gel containing 0.5% cysteine and then stored at 4 °C for 16 d. The color, firmness, weight loss, soluble solid content, titratable acidity, microbial analysis, and sensory evaluation were analyzed during storage. Fresh‐cut apples coated with the Aloe vera gel showed delayed browning and reduced weight loss and softening compared to the control. The Aloe vera gel coating was also effective in reducing the populations of the total aerobic bacteria and yeast and molds. In particular, Aloe vera gel containing 0.5% cysteine was most effective in delaying browning and the reduction of microbial populations among the treatments. These results suggest that an Aloe vera gel coating can be used for maintaining the quality of fresh‐cut apples.
Vertical Handover Algorithm for Telemedicine Application in 5G Heterogeneous Wireless Networks

Field: Computer Science (Physical Sciences)

In this fast-paced technology era, the advancement of telecommunication systems has made many advanced technologies possible. With the help of the 5G technology, more technologies will become a reality and telemedicine is one of them. Numerous studies have shown that the fatal rate of ischemic heart disease cases can be reduced by sending the real-time patient health data from an ambulance to the medical centre so that healthcare professionals can make early preparation and give immediate treatment in the golden hour. 5G technology offers a high data rate and low latency. However, the coverage of 5G is small compared to 4G. It will induce a high number of unnecessary handovers when an ambulance traverses the 5G networks at high speed and lead to degradation of services quality. Therefore, a fast and accurate vertical handover decision-making algorithm is needed to minimize unnecessary handover in high-speed scenarios. This paper proposes a handover algorithm that integrates the Travelling Time Estimation, Fuzzy Analytic Hierarchy Process (FAHP) and Technique for order of preference by similarity to ideal solution (TOPSIS) algorithms to reduce unnecessary handover in 5G heterogeneous networks. The simulation results show that the proposed algorithm has successfully reduced up to 80.3% of handovers compared to FAHP-TOPSIS based handover algorithm in the high-speed scenario. The proposed handover algorithm can improve the quality of telemedicine services in high-speed scenarios.
Pallet cant soundness at Appalachian sawmills and marketing recommendations

Field: Agricultural and Biological Sciences (Life Sciences)

Pallet cants were inspected at selected sawmills in Virginia and West Virginia. We were looking for unsound defects such as splits, wane, shake, holes, rot, decay, unsound knots, bark pockets, and mechanical defects. Red oak (Quercus rubra, L.), white oak (Quercus albu, L), ycllow-poplar (Liriodendron fufipiferu, L.) and basswood (7Flia americanu, L.) cants were inspected. White oak and poplar had higher percentage~~of unsound defect volume compared to red oak and basswood. Regardless of the mills and species, splits accounted for the highest percentage of defect volun~e per cant. Ninety percent of the cants had defect volumes less than 10 percent, and two percent of the cants had unsound defect volumes higher than 30 percent. This study suggests that cants can be pre-sorted for sale to pallet producers and that some should be culled at sawmills. The resulting cant product will help pallet producers reduce processing costs and produce high quality, longer-lasting pallets.
Genetic Diversity in Invasive Populations of Lupinus polyphyllus Lindl. and Heracleum sosnowskyi Manden.

Field: Agricultural and Biological Sciences (Life Sciences)

In our study, two aggressive-invasive species, Lupinus polyphyllus Lindl. and Heracleum sosnowskyi Manden. from Russia and Ukraine, were investigated. The success in naturalization of both species is associated with human activities, since they have been used in agriculture and floriculture and both have qualities such as environmental tolerance, high fertility and phenotypic plasticity. The purpose of this study was to determine the level of genetic diversity of both species. For Heracleum sosnowskyi Manden., genetic diversity was compared in invasive and native populations. For Lupinus polyphyllus Lindl., the genetic diversity was compared in variety, feral and invasive populations. A genetic diversity was formulated using RAPD, ISSR and REMAP. For Heracleum sosnowskyi Manden., the average genetic diversity within the invasive population was similar (0.432), but slightly less (0.502) than within the native Caucasian population. This may suggest the successful naturalization of invaders and almost complete reconstruction of their genetic diversity. For Lupinus polyphyllus Lindl., the genetic diversity for the invasive population was the highest, with an average of 0.294, while for variety, it was the lowest, with an average of 0.194. The feral population had an intermediate place with an average of 0.248, which could suggest an increase of diversity in the process of naturalization.
Research Progress on the Role of Dendritic Cells in Asthma and Interferential Effects of Smoking

Field: Medicine (Health Sciences)

Dendritic cells( DCs) are primary antigen-presenting cells and play an important role in the pathogenesis of asthma. Cigarette smoking may induce the aberrance in immune function of DCs, which has extensive impact on asthma. In this paper,the function of DCs and the effects smoking on DCs for asthma in recent years are summarized. In future,the effects of smoking on the role of dendritic cells in asthma will be further characterized,which provide a basis for the development of new treatments for asthma.
Crippled Warriors

Field: Arts and Humanities (Social Sciences)

This chapter explores a body of martial arts filmmaking and its intersection with complex masculinities, gender and colonial histories in Asia. It might also remind us of the importance of the "kung fu craze" in the 1970s in molding the pan-Asian and transnational landscape of popular media on which the film draws. To make sense of the ways that Hong Kong cinema's images of martial masculinity were new, and to make better sense of them, we need to place them within their broader contexts. The crippled fighters discussed share a lot with the women warriors discussed by Kwai-Cheung Lo: Lo notes that the most "stable" and privileged masculinities are usually reserved for the villains of Hong Kong movies. Beyond the cinema, these new images of Chinese manhood also had their context within twentieth-century discourses on the role of physical culture within the modern nation-state, and in particular the place of the martial arts within these.
Massive Transfusion in Cardiac Surgery: The Impact of Blood Component Ratios on Clinical Outcomes and Survival

Field: Medicine (Health Sciences)

BACKGROUND: Cardiac surgery is the most common setting for massive transfusion in medically advanced countries. Studies of massive transfusion after injury suggest that the ratios of administered plasma and platelets (PLT) to red blood cells (RBCs) affect mortality. Data from the Red Cell Storage Duration Study (RECESS), a large randomized trial of the effect of RBC storage duration in patients undergoing complex cardiac surgery, were analyzed retrospectively to investigate the association between blood component ratios used in massively transfused patients and subsequent clinical outcomes. METHODS: Massive transfusion was defined as those who had ≥6 RBC units or ≥8 total blood components. For plasma, high ratio was defined as ≥1 plasma unit:1 RBC unit. For PLT transfusion, high ratio was defined as ≥0.2 PLT doses:1 RBC unit; PLT dose was defined as 1 apheresis PLT or 5 whole blood PLT equivalents. The clinical outcomes analyzed were mortality and the change in the Multiple Organ Dysfunction Score (ΔMODS) comparing the preoperative score with the highest composite score through the earliest of death, discharge, or day 7. Outcomes were compared between patients transfused with high and low ratios. Linear and Cox regression were used to explore relationships between predictors and continuous outcomes and time to event outcomes. RESULTS: A total of 324 subjects met the definition of massive transfusion. In those receiving high plasma:RBC ratio, the mean (SE) 7- and 28-day ΔMODS was 1.24 (0.45) and 1.26 (0.56) points lower, ( P = .007 and P = .024), respectively, than in patients receiving lower ratios. In patients receiving high PLT:RBC ratio, the mean (SE) 7- and 28-day ΔMODS were 1.55 (0.53) and 1.49 (0.65) points lower ( P = .004 and P = .022), respectively. Subjects who received low-ratio plasma:RBC transfusion had excess 7-day mortality compared with those who received high ratio (7.2% vs 1.7%, respectively, P = .0318), which remained significant at 28 days ( P = .035). The ratio of PLT:RBCs was not associated with differences in mortality. CONCLUSIONS: This analysis found that in complex cardiac surgery patients who received massive transfusion, there was an association between the composition of blood products used and clinical outcomes. Specifically, there was less organ dysfunction in those who received high-ratio transfusions (plasma:RBCs and PLT:RBCs), and lower mortality in those who received high-ratio plasma:RBC transfusions.
A role for the β-amyloid precursor protein in memory?

Field: Neuroscience (Life Sciences)

Alzheimer’s disease (AD), a progressive neurodegenerative disease, is the most common type of dementia occurring in mid-to-late life. Morphological and neurochemical studies have established that AD is associated with selective lesions of neuronal circuits in the neocortex, hippocampus, and basal forebrain cholinergic system. The principal consequence of these lesions is a diminution of synaptic inputs in these regions of the brain, leading to memory and attentional impairments (1). The principal neuropathological hallmarks of AD are the presence of neurofibrillary tangles, intracytoplasmic filaments of hyperphosphorylated forms of tau, and senile plaques, comprised of dystrophic neurites (abnormal neuronal processes) displayed in proximity to deposits of 39- to 42-aa β-amyloid (Aβ) peptides (2, 3). Aβ fibrillar aggregates act as a nidus for subsequent deposits of other proteins (4) and by mechanisms not presently understood and appear to be toxic to nerve cells (5). The mechanisms by which Aβ, tau, and associated polypeptides impact on the pathophysiology of AD are being actively investigated, with the underlying assumption that these molecular targets might offer opportunities for novel therapeutic interventions.
Isolated pancreatic injury in an adolescent treated with Roux-en-Y pancreatojejunostomy: a case report and review of the literature

Field: Medicine (Health Sciences)

Abstract Background Pancreatic injury presented as isolated injury in the pediatric population is exceptionally rare, with a conveyed incidence of less than 2% of all abdominal trauma injuries cases and a very controversial management approach for grade III injuries. Case presentation A 16-year-old adolescent Sudanese boy was referred to our emergency department with a 5-day history of upper and left hypochondrial pain after blunt abdominal trauma to the epigastric region with a solid object. Grade III pancreatic body trauma with major duct involvement can be successfully treated operatively. The boy was discharged home on day 10 with regular oral intake and diet. A follow-up for 6 months continued by phone, and it was uneventful with no further complications. Conclusions Roux-en-Y pancreatojejunostomy reconstruction can be a safe and valuable surgical option when the surgical approach is considered for grade III pancreatic injury.