Miracle-dz/UniFAR-FTUs huggingface dataset:
The role of protein homochirality in shaping the energy landscape of folding

The homochirality, or isotacticity, of the natural amino acids facilitates the formation of regular secondary structures such as α‐helices and β‐sheets. However, many examples exist in nature where novel polypeptide topologies use both l‐ and d‐amino acids. In this study, we explore how stereochemistry of the polypeptide backbone influences basic properties such as compactness and the size of fold space by simulating both lattice and all‐atom polypeptide chains. We formulate a rectangular lattice chain model in both two and three dimensions, where monomers are chiral, having the effect of restricting local conformation. Syndiotactic chains with alternating chirality of adjacent monomers have a very large ensemble of accessible conformations characterized predominantly by extended structures. Isotactic chains on the other hand, have far fewer possible conformations and a significant fraction of these are compact. Syndiotactic chains are often unable to access maximally compact states available to their isotactic counterparts of the same length. Similar features are observed in all‐atom models of isotactic versus syndiotactic polyalanine. Our results suggest that protein isotacticity has evolved to increase the enthalpy of chain collapse by facilitating compact helical states and to reduce the entropic cost of folding by restricting the size of the unfolded ensemble of competing states.
Biofiltration of Air Contaminated with Toluene

In industrial activities, operation of air biofilters may be interrupted for a long period of time. In order to examine the effect of shut-down on the performance of biofilters, a pilot scale biofiltration unit was restarted up after a non-use duration of eight months. After a reacclimation period of eight days, the biofilter reached an elimination capacity of 35 g.m−3.h−1 compared to 38 g.m−3.h−1 before shut-down, for the same operating conditions. The results obtained indicate that the microorganism activity was completely restored and this was confirmed by the microbial count tests performed on filter bed material samples. The impact of varying the inlet concentration of toluene on biofilter performance was also investigated. A maximum elimination capacity of 120 g.m−3.h−1 was achieved, compared to 135 g.m−3.h−1 before shut-down. The biofilter removal efficiency exceeded 96% for inlet concentrations up to 1.8 g.m−3. Temperature measurements revealed that the filter bed temperature depends strongly on the intensity of microbial activity and the biofilter effectiveness in eliminating toluene. Experimental data were compared with the calculations of a mathematical model. Comparison showed that the theoretical model was successful in predicting the performance of the biofiltration unit.
Group B, type III streptococcal cell wall: composition and structural aspects revealed through endo-N-acetylmuramidase-catalyzed hydrolysis

Cell walls from a group B, type III streptococcus strain were prepared, purified by extraction with sodium dodecyl sulfate, and solubilized by the M-1 fraction of mutanolysin, an endo-N-acetylmuramidase obtained from Streptomyces globisporus. The lysate was resolved into three fractions by ion-exchange chromatography: a fraction containing peptidoglycan (PG) fragments, free of neutral and acidic sugars and of phosphate; a complex of PG fragments and group B-specific polysaccharide; and a complex of PG fragments and group B-specific polysaccharide and type III-specific polysaccharide. The PG-polysaccharide complexes were large and heterogeneous in molecular size. When subjected to base-catalyzed beta-elimination, both complexes were disintegrated, and polysaccharides and low-molecular-weight PG fragments could then be separated by gel filtration. The low-molecular-weight PG fragment-containing fraction contained muramic acid, glucosamine, alanine, lysine, glutamic acid, and serine in molar ratios (to lysine) of 0.92:0.98:3.01:1.00:1.00:0.05. Wall-derived, purified group polysaccharide contained rhamnose, galactose, glucosamine, and phosphorus in molar ratios (to galactose) of 5.03:1.00:1.00:1.05. It also contained an unidentified sugar. Wall-derived, purified type III polysaccharide contained galactose, glucosamine, glucose, and N-acetylneuraminic acid in molar ratios (to glucose) of 1.94:0.85:1.00:1.39. On a dry-weight basis, the whole wall lysate contained 19.8 and 20.6% of group and type polysaccharide, respectively. Neither glycerol nor ribitol was found, and all of the cell wall phosphorus was accounted for as polysaccharide, indicating the absence of a wall teichoic acid.
Two Amino Acid Changes at the N-Terminus of Transmissible Gastroenteritis Coronavirus Spike Protein Result in the Loss of Enteric Tropism

Abstract To study the molecular basis of TGEV tropism, a collection of recombinants between the PUR46-MAD strain of transmissible gastroenteritis coronavirus (TGEV) infecting the enteric and respiratory tracts and the PTV strain, which only infects the respiratory tract, was generated. The recombinant isolation frequency was about 10−9recombinants per nucleotide and was 3.7-fold higher at the 5′-end of the S gene than in other areas of the genome. Thirty recombinants were plaque purified and characterized phenotypically and genetically. All recombinant viruses had a single crossover and had inherited the 5′- and 3′-halves of their genome from the enteric and respiratory parents, respectively. Recombinant viruses were classified into three groups, named 1 to 3, according to the location of the crossover. Group 1 recombinants had the crossover in the S gene, while in Groups 2 and 3 the crossovers were located in ORF1b and ORF1a, respectively. The tropism of the recombinants was studied. Recombinants of Group 1 had enteric and respiratory tropism, while Group 2 recombinants infected the respiratory, but not the enteric, tract. Viruses of both groups differed by two nucleotide changes at positions 214 and 655. Both changes may be in principle responsible for the loss of enteric tropism but only the change in nucleotide 655 was specifically found in the respiratory isolates and most likely this single nucleotide change, which leads to a substitution in amino acid 219 of the S protein, was responsible for the loss of enteric tropism in the closely related PUR-46 isolates. The available data indicate that in order to infect enteric tract cells with TGEV, two different domains of the S protein, mapping between amino acids 522 and 744 and around amino acid 219, respectively, are involved. The first domain binds to porcine aminopeptidase N, the cellular receptor for TGEV. In the other domain maps a second factor of undefined nature but which may be the binding site for a coreceptor essential for the enteric tropism of TGEV.
Effects of low and high LET radiations on bystander human lung fibroblast cell survival

Purpose: This investigation is aimed to determine the role of low LET (linear energy transfer, γ-rays) and high LET (α-particles) radiations on bystander effect of using the same type of cells and its implications on colony-forming efficiency from a single cell. Materials and methods: Normal human fetal lung (MRC-5), immortalized repair deficient ataxia telangiectasia mutated (ATM) (GM5849C) and normal (GM637H) fibroblast cells were used. Colony-forming efficiency in bystander cells (GM637H) was studied using the medium transfer technique from the two donor (MRC-5 and GM5849C) cells and the procedure followed for bystander treatment is presented schematically in Figure 1. Evidence of change in colony formation in bystander cells, was assessed by scavenging nitric oxide (NO). Figure 1. Schematic representation of the technical procedure followed for the sham-treated control and bystander cells. Results: Enhancement of 10 – 30% in colony-forming efficiency was observed in bystander GM637H cells treated with irradiated conditioned medium (ICM) from MRC-5 cells collected 1 h after different doses of either γ-rays (1, 2.5, 5 and 10 Gy) or α particles (0.25, 0.5, 1 and 2.5 Gy) irradiation. Similar results were obtained when ICM derived from the ATM (GM5849C) cells. However, the stimulation was not dose dependent. Furthermore, we also show that the increase in dilutions of ICM (1:1, 1:5 and 1:10) showed an inverse correlation with cloning efficiency. Treatment of MRC-5 cells with PTIO (2-phenyl-4, 4, 5, 5-tetramethylimidazoline-1-oxyl-3-oxide) a NO scavenger, 1 h prior to irradiation reduced the enhancement of ICM mediated cell survival. Conclusions: In the present study, though both the low and high LET radiations enhanced the clonogenic potential of the bystander recipient cells, medium from the ATM defective (GM5849C) cells after γ-irradiation showed less stimulating effect than the medium from the normal (MRC-5) cells. However, after α-irradiation an inverse effect was seen. NO may play an important role in enhancing the growth potential in these bystander cells.
l-Malyl-Coenzyme A/β-Methylmalyl-Coenzyme A Lyase Is Involved in Acetate Assimilation of the Isocitrate Lyase-Negative Bacterium Rhodobacter capsulatus

ABSTRACT Cell extracts of Rhodobacter capsulatus grown on acetate contained an apparent malate synthase activity but lacked isocitrate lyase activity. Therefore, R. capsulatus cannot use the glyoxylate cycle for acetate assimilation, and a different pathway must exist. It is shown that the apparent malate synthase activity is due to the combination of a malyl-coenzyme A (CoA) lyase and a malyl-CoA-hydrolyzing enzyme. Malyl-CoA lyase activity was 20-fold up-regulated in acetate-grown cells versus glucose-grown cells. Malyl-CoA lyase was purified 250-fold with a recovery of 6%. The enzyme catalyzed not only the reversible condensation of glyoxylate and acetyl-CoA to l-malyl-CoA but also the reversible condensation of glyoxylate and propionyl-CoA to β-methylmalyl-CoA. Enzyme activity was stimulated by divalent ions with preference for Mn2+ and was inhibited by EDTA. The N-terminal amino acid sequence was determined, and a corresponding gene coding for a 34.2-kDa protein was identified and designated mcl1. The native molecular mass of the purified protein was 195 ± 20 kDa, indicating a homohexameric composition. A homologous mcl1 gene was found in the genomes of the isocitrate lyase-negative bacteria Rhodobacter sphaeroides and Rhodospirillum rubrum in similar genomic environments. For Streptomyces coelicolor and Methylobacterium extorquens, mcl1 homologs are located within gene clusters implicated in acetate metabolism. We therefore propose that l-malyl-CoA/β-methylmalyl-CoA lyase encoded by mcl1 is involved in acetate assimilation by R. capsulatus and possibly other glyoxylate cycle-negative bacteria.
Depression and coronary heart disease: A review for cardiologists

Major depression is a common comorbid condition in patients with coronary heart disease (CHD). Although mild emotional distress may be a normal reaction to myocardial infarction or other manifestations of CHD, major depression should not be considered a normal reaction, nor should it be ignored. Major depression is a debilitating comorbid disorder that can seriously complicate recovery and increase the risks of further cardiac morbidity and mortality. Fortunately, it is one that can be successfully treated in the majority of cases. The purpose of this review is to present the evidence for the negative prognostic effects of depression in cardiac patients and to discuss methods for assessing and treating depression in these patients.
Cross-sectional and time-series momentum returns: are Islamic stocks different?

ABSTRACT We search for differences in both unconditional and conditional momentum returns of Islamic and Non-Islamic stocks and test implications of competing behavioural theories that aim to explain momentum returns. Our results show that there is no significant difference in momentum returns between Islamic versus Non-Islamic stocks with respect to both cross-sectional (CS) and time-series (TS) momentum strategies even when we condition momentum returns on market dynamics, information uncertainty and idiosyncratic volatility. We also find that the TS strategy outperforms (underperforms) the CS strategy in market continuations (transitions) consistent with the recent evidence in the U.S. market. Furthermore, we find that CS and TS strategies of both Islamic and Non-Islamic stocks are profitable only when the market continues in the same state consistent with overconfidence driving momentum returns of both Islamic and Non-Islamic stocks.
Physician interpretations and textbook definitions of blinding terminology in randomized controlled trials.

CONTEXT When clinicians assess the validity of randomized controlled trials (RCTs), they commonly evaluate the blinding status of individuals in the RCT. The terminology authors often use to convey blinding status (single, double, and triple blinding) may be open to various interpretations. OBJECTIVE To determine physician interpretations and textbook definitions of RCT blinding terms. DESIGN AND SETTING Observational study undertaken at 3 Canadian university tertiary care centers between February and May 1999. PARTICIPANTS Ninety-one internal medicine physicians who responded to a survey. MAIN OUTCOME MEASURES Respondents identified which of the following groups they thought were blinded in single-, double-, and triple-blinded RCTs: participants, health care providers, data collectors, judicial assessors of outcomes, data analysts, and personnel who write the article. Definitions from 25 systematically identified textbooks published since 1990 providing definitions for single, double, or triple blinding. RESULTS Physician respondents identified 10, 17, and 15 unique interpretations of single, double, and triple blinding, respectively, and textbooks provided 5, 9, and 7 different definitions of each. The frequencies of the most common physician interpretation and textbook definition were 75% (95% confidence interval [CI], 65%-83%) and 74% (95% CI, 52%-90%) for single blinding, 38% (95% CI, 28%-49%) and 43% (95% CI, 24%-63%) for double blinding, and 18% (95% CI, 10%-28%) and 14% (95% CI, 0%-58%) for triple blinding, respectively. CONCLUSIONS Our study suggests that both physicians and textbooks vary greatly in their interpretations and definitions of single, double, and triple blinding. Explicit statements about the blinding status of specific groups involved in RCTs should replace the current ambiguous terminology.
An Empirical Segmentation of Users of Mobile Banking Apps

ABSTRACT Digital technologies have squeezed the entire world into a small frame. Trade and transactions never stop, and they go where the customer is. Marketers must reinvent their strategies and toolkits to win in this hyper-connected world. Companies are creating new and improved ways for engaging and involving their consumers, and one significant tool now used by companies for these purposes is the app. Mobile phones have registered the highest growth among all technological evolutions, and mobile apps are proliferating. Apps are being used across a diverse range of industry verticals, including banking, e-commerce, travel, and tourism. This article studies a set of twenty different banking apps and segments consumers based on their adoption and usage of the apps. This article emphasizes the role of mobile technologies to change established channels and banking services, and also analyzes how the Indian banking sector has benefited from the adoption of mobile apps.
PFO and Stroke: What Are the Data?

Patent foramen ovale (PFO) is a frequent finding on echocardiography and occurs in over 25% of the population. In young patients with cryptogenic stroke, the frequency is much higher suggesting paradoxical embolization may be responsible for the clinical events. There are conflicting data from studies examining the association between PFO and stroke. The combination of atrial septal aneurysm and PFO, and PFO size and severity of right-to-left shunt may add additional risk but again the data are insufficient for definite conclusions. Available information suggests no difference in subsequent stroke in patients with PFO treated with aspirin or warfarin for secondary prevention. Endovascular closure is technically feasible, but not without the possibility of periprocedural complications. Comparison of medical and endovascular closure of PFOs in patients with stroke is ongoing in 2 major randomized trials.
CuZn-SOD Deficiency Causes ApoB Degradation and Induces Hepatic Lipid Accumulation by Impaired Lipoprotein Secretion in Mice*

Elevated hepatic reactive oxygen species play an important role in pathogenesis of liver diseases, such as alcohol-induced liver injury, hepatitis C virus infection, and nonalcoholic steatohepatitis. In the present study, we investigated and compared the hepatic lipid metabolisms of liver-specific Sod2 (superoxide dismutase 2) knock-out (Sod2 KO), Sod1 knock-out (Sod1 KO), and Sod1/liver-specific Sod2 double knock-out mice (double KO). We observed significant increases in lipid peroxidation and triglyceride (TG) in the liver of Sod1 KO and double KO mice but not in the liver of Sod2 KO mice. We also found that high fat diet enhanced fatty changes of the liver in Sod1 KO and double KO mice but not in Sod2 KO mice. These data indicated that CuZn-SOD deficiency caused lipid accumulation in the liver. To investigate the molecular mechanism of hepatic lipid accumulation in CuZn-SOD-deficient mice, we measured TG secretion rate from liver using Triton WR1339. We found significant decrease of TG secretion in CuZn-SOD-deficient mice. Furthermore, we observed marked degradation of apolipoprotein B (apoB) in the liver and plasma of CuZn-SOD-deficient mice, indicating that degradation of apoB impairs secretion of lipoprotein from the liver. Our data suggest that oxidative stress enhances hepatic lipid accumulation by impaired lipoprotein secretion due to the degradation of apoB in liver.
Theoretical Modelling of Intercultural Communication Process

The definition of the concepts of “communication”, “intercultural communication”, “model of communication” are analyzed in the article. The basic components of the communication process are singled out. The model of intercultural communication is developed. Communicative, behavioral and complex skills for optimal organization of intercultural communication, establishment of productive contact with a foreign partner to achieve mutual understanding, searching for acceptable ways of organizing interaction and cooperation for both communicants are highlighted in the article. It is noted that intercultural communication through interaction between people affects the development of different cultures’ aspects.
Business School Legitimacy and the Challenge of Sustainability: A Fuzzy Set Analysis of Institutional Decoupling

Business schools face growing institutional pressure to respond to the sustainability agenda, especially since the financial crisis highlighted the need to educate business leaders who engage with issues beyond a profit imperative. Although business schools increasingly signal their engagement with global issues, such as sustainability, there are also suggestions that they decouple their espoused commitments from their practices. Rather than institute actual change and include sustainability in organizational activities, business schools may merely indicate that such change is taking place. We examine the key organizational and strategic conditions under which business schools decouple their sustainability policies from their practices. We draw on interviews with 40 deans of U.K. business schools and analyze the data using fuzzy set (fs) qualitative comparative analysis (fs/QCA), a method that investigates combinations of individual conditions. We find evidence to suggest that tight coupling is associated.
Testing the Similarity Fit/Misfit Hypothesis in Adolescents and Parents With ADHD

Objective: Higher rates of conflict are observed between adolescents with ADHD and their parents due to cognitive, academic, social, and behavioral difficulties. Conflict should be even more pronounced when parents have ADHD themselves; however, some research suggests that parents with ADHD may have increased tolerance toward children who share similar challenges (i.e., similarity-fit hypothesis). Method: We tested the similarity-fit model and its converse, the similarity-misfit model, in a sample of 93 ADHD adolescents, 63 comparison adolescents, and their parents with varying levels of ADHD. Quantity and intensity of conflict were examined in mothers and fathers separately. Results: We found evidence for the similarity-fit process in fathers, and similarity misfit in mothers, particularly regarding quantity of conflict between parent and adolescent. Conclusion: Results indicate the importance of differential parental roles in mothers and fathers, and have implications for involving parents in treatment for ADHD in adolescents.
The Impact of Obfuscation on Strategic Alliance Formation: If You Can't Convince Them, Confuse Them?

Strategic alliances have become a major instrument for companies to create competitive advantage. Hence, the choice of alliance partners becomes an important but little studied part of firm strategy. In this paper we highlight the role of obfuscation, i.e., the degree to which firms conceal information by presenting themselves in an overly complex manner, and link it to the signaling of trustworthiness in strategic alliance formation. We hypothesize that obfuscating firms are less likely to be included in a strategic alliance and contrast these predictions with stronger signals from previous alliances. Based on a sample of pharmaceutical and biotech firms, we create a dyad-level panel-dataset of all potential and realized linkages to study firm? s partner choices. We find that, on average, obfuscation decreases alliance formation probability for those firms that lack previous alliance experience as a primary signal. This effect is dyadic in nature, i.e., particularly pronounced when experienced firms evaluate un-experienced partners. Our findings have important implications for impression management and perception engineering of firms which are new to industries or markets.
Comparison of oral versus normal and high-dose rectal acetaminophen in the treatment of febrile children.

OBJECTIVES To compare the defervescent effect of high-dose rectal suppository acetaminophen with the recommended oral and rectal dosages and to evaluate acceptability of rectal acetaminophen. METHODS A randomized, controlled trial was performed in 70 patients aged 6 months to 6 years with fever > or =39 degrees C. Group A received rectal acetaminophen 15 mg/kg, group B received rectal acetaminophen 30 mg/kg, and group C received oral acetaminophen 15 mg/kg. Primary outcome was maximal change in temperature during the 3-hour study period after initial treatment. RESULTS There were 24 patients in group A, 23 in group B, and 23 in group C. There was no significant difference in temperature change between the groups during the 3 hours or in the maximum drop in temperature or final temperature. Visual analog scores for satisfaction of parents did not reveal any significant differences between the oral and rectal routes. CONCLUSIONS There was no difference between the temperature decrement in patients treated with 15 mg/kg oral acetaminophen and the same or double dose rectally. Thus, there seems to be no evidence to support the use of higher doses of rectal acetaminophen for the treatment of fever in children. The rectal route proved to be as acceptable as the oral among parents.