Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular docking studies of 3-bromopyruvate and its derivatives to metabolic regulatory enzymes: Implication in designing of novel anticancer therapeutic strategies

Altered metabolism is an emerging hallmark of cancer, as malignant cells display a mammoth up-regulation of enzymes responsible for steering their bioenergetic and biosynthetic machinery. Thus, the recent anticancer therapeutic strategies focus on the targeting of metabolic enzymes, which has led to the identification of specific metabolic inhibitors. One of such inhibitors is 3-bromopyruvate (3-BP), with broad spectrum of anticancer activity due to its ability to inhibit multiple metabolic enzymes. However, the molecular characterization of its binding to the wide spectrum of target enzymes remains largely elusive. Therefore, in the present study we undertook in silico investigations to decipher the molecular nature of the docking of 3-BP with key target enzymes of glycolysis and TCA cycle by PatchDock and YASARA docking tools. Additionally, derivatives of 3-BP, dibromopyruvate (DBPA) and propionic acid (PA), with reported biological activity, were also investigated for docking to important target metabolic enzymes of 3-BP, in order to predict their therapeutic efficacy versus that of 3-BP. A comparison of the docking scores with respect to 3-BP indicated that both of these derivatives display a better binding strength to metabolic enzymes. Further, analysis of the drug likeness of 3-BP, DBPA and PA by Lipinski filter, admetSAR and FAF Drug3 indicated that all of these agents showed desirable drug-like criteria. The outcome of this investigation sheds light on the molecular characteristics of the binding of 3-BP and its derivatives with metabolic enzymes and thus may significantly contribute in designing and optimizing therapeutic strategies against cancer by using these agents.
Cognitive impairment in Parkinson's disease

Although Parkinson's disease (PD) has been regarded as a condition in which disordered movement is the main feature there is now evidence that a substantial proportion of sufferers also show cognitive impairment. Some subjects are so severely affected that their impairment fulfils criteria for dementia. Research in the field presents many methodological problems: these are reviewed together with the nature, origins and neuropathology of impairment. PD has been the subject of research partly because it provides a model for the examination of brain function.The occurrence of dementia in PD is one of the factors that has lead to the re-examination of the nature of neurodegenerative disorders more widely. Cognitive impairment in PD has major implications for clinical management and for survival.
Consumer video structuring by probabilistic merging of video segments

Accessing, organizing, and manipulating home videos constitutes a technical challenge due to their unrestricted content and the lack of storyline. In this paper, we present a methodology for structuring consumer video, based on the development of statistical models of similarity and adjacency between video segments in a probabilistic formulation. Learned Gaussian mixture models of inter-segment visual similarity, temporal adjacency, and segment duration are used to represent the classconditional densities of observed features. Such models are then used in a sequential merging algorithm consisting of a binary Bayes classifier, where the merging order is determined by a variation of Highest Confidence First (HCF), and the merging criterion is Maximum a Posteriori (MAP). The merging algorithm can be efficiently implemented and does not need any empirical parameter determination. Finally, the representation of the merging sequence by a tree provides for hierarchical, nonlinear access to the video content. Results on an eight-hour home video database illustrate the validity of our approach.
Effect of combined carbohydrate-protein ingestion on markers of recovery after simulated rugby union match-play

Abstract In this study, we investigated the effect of ingesting carbohydrate alone or carbohydrate with protein on functional and metabolic markers of recovery from a rugby union-specific shuttle running protocol. On three occasions, at least one week apart in a counterbalanced order, nine experienced male rugby union forwards ingested placebo, carbohydrate (1.2 g · kg body mass−1 · h−1) or carbohydrate with protein (0.4 g · kg body mass−1 · h−1) before, during, and after a rugby union-specific protocol. Markers of muscle damage (creatine kinase: before, 258 ± 171 U · L−1 vs. 24 h after, 574 ± 285 U · L−1; myoglobin: pre, 50 ± 18 vs. immediately after, 210 ± 84 nmol · L−1; P < 0.05) and muscle soreness (1, 2, and 3 [maximum soreness = 8] for before, immediately after, and 24 h after exercise, respectively) increased. Leg strength and repeated 6-s cycle sprint mean power were slightly reduced after exercise (93% and 95% of pre-exercise values, respectively; P < 0.05), but were almost fully recovered after 24 h (97% and 99% of pre-exercise values, respectively). There were no differences between trials for any measure. These results indicate that in experienced rugby players, the small degree of muscle damage and reduction in function induced by the exercise protocol were not attenuated by the ingestion of carbohydrate and protein.
Computing Extremal Quasiconformal Maps

Conformal maps are widely used in geometry processing applications. They are smooth, preserve angles, and are locally injective by construction. However, conformal maps do not allow for boundary positions to be prescribed. A natural extension to the space of conformal maps is the richer space of quasiconformal maps of bounded conformal distortion. Extremal quasiconformal maps, that is, maps minimizing the maximal conformal distortion, have a number of appealing properties making them a suitable candidate for geometry processing tasks. Similarly to conformal maps, they are guaranteed to be locally bijective; unlike conformal maps however, extremal quasiconformal maps have sufficient flexibility to allow for solution of boundary value problems. Moreover, in practically relevant cases, these solutions are guaranteed to exist, are unique and have an explicit characterization.
MOTIVASI KERJA, KEPUASAN KERJA, DAN KOMITMEN ORGANISASIONAL KARYAWAN

This study was conducted to determine the effect of work motivation and job sa­tisfaction on orga­ni­zational commitment. The population amounted to 214 employees and the sam­ples were 145 people. The sampling method was judgment sampling. The analy­tical me­thod was multiple linear regression. The results indicated that work mo­tivation variable had a positive and significant effect on organizational commitment. Job satis­faction also had a positive and significant influence on organizational commitment. Work motivation and job satisfaction had the same influence on or­ganizational com­mit­ment and job sa­tis­faction dominated. The increase in employee motivation was expected to help the compa­ny in increasing employee’s job sa­tisfaction that directly affected the commitment of em­ployees.
Cloning, Nucleotide Sequencing and Bioinformatics Study of NcSRS2 Gene, an Immunogen from Iranian Isolate of Neospora caninum

Background Neosporosis is caused by an obligate intracellular parasitic protozoa Neospora caninum which infect variety of hosts. NcSRS2 is an immuno-dominant antigen of N. caninum which is considered as one of the most promising targets for a recombinant or DNA vaccine against neosporosis. As no study has been carried out to identify the molecular structure of N. caninum in Iran, as first step, we prepared a scheme to identify this gene in this parasite in Iran. Methods Tachyzoite total RNA was extracted and cDNA was synthesized and NcSRS2 gene was amplified using cDNA as template. Then the PCR product was cloned into pTZ57R/T vector and transformed into E. coli (DH5α strain). Finally, the recombinant plasmid was extracted from transformed E. coli and sequenced. Bioinformatics analysis also carried out. Results The PCR product of NcSRS2 gene was sequenced and recorded in GenBank. The deduced amino acid sequence of NcSRS2 in current study was compared with other N. caninum NcSRS2 and showed some identities and differences. Conclusion NcSRS2 gene of N. caninum successfully cloned in pTZ57R/T. Recombinant plasmid was confirmed by sequencing, colony PCR and enzymatic digestion. It is ready to express recombinant protein for further studies.
Light and electron microscopic analysis of synaptic development in Macaca monkey retina as detected by immunocytochemical labeling for the synaptic vesicle protein, SV2

The development of synapses has been followed in Macaca monkey fetal and infant retina using immunocytochemical labeling for the transmembrane synaptic vesicle glycoprotein, SV2. Electron microscopy (EM) was used to verify the presence of morphological synapses at selected ages. EM immunocytochemical labeling in adult retina showed that all synaptic types contained SV2 in inner (IPL) and outer (OPL) plexiform layers. In fetal retina, SV2 expression and the appearance of morphological synapses were closely related in time, demonstrating that SV2 is a reliable marker for synaptogenesis.
Usefulness of proton MR spectroscopy in the evaluation of temporal lobe epilepsy.

OBJECTIVE The purpose of our study was to compare the ability of MR spectroscopy with that of standard presurgical methods to accurately lateralize the abnormal hippocampus in a group of patients with complex partial seizures. SUBJECTS AND METHODS Ten healthy volunteers (five male, five female) without a history of seizures, significant head trauma, or other neurologic abnormalities were chosen to participate in the study. Twelve consecutive patients (three male, nine female) having intractable temporal lobe epilepsy and undergoing presurgical evaluation for temporal lobectomy were chosen to participate in the study. The condition of all patients was refractory to medications. All patients underwent presurgical examination with interictal and video ictal electroencephalography, ictal single-photon emission computed tomography, interictal positron emission tomography, MR imaging, and neuropsychologic testing. When noninvasive data were inconclusive, depth or grid recordings were performed. The results of MR spectroscopy were also compared with postsurgical seizure control as defined by the Engel classification. RESULTS Nine (90%) of 10 control subjects showed no significant difference in N-acetyl aspartate. One control subject showed 16% asymmetry in N-acetyl aspartate between sides. The control group showed no statistically significant differences in ratios of N-acetyl aspartate:creatine, N-acetyl aspartate:choline, or creatine:choline when comparing sides (p < .05). All 12 patients showed clearly lateralizing values identified by the index of asymmetry in N-acetyl aspartate (range, 24-93%), with a mean difference of 51% (SD, 22) (p = .01). Additionally, as a group, statistically significant indexes of asymmetry (p = .01) were seen in ratios of N-acetyl aspartate:choline (mean, 42; SD, 22%), N-acetyl aspartate:creatine (mean, 41; SD, 27), and N-acetyl aspartate:creatine + choline (mean, 42; SD, 22). Using an N-acetyl aspartate index of asymmetry of greater than 15%, which represents the mean index of asymmetry of the control subjects +/- two SDs, as our cutoff level for lateralization, the correct side was identified in all patients. When comparing both hippocampi using an asymmetry index of 15% for N-acetyl aspartate:choline + creatine, 11 (92%) of 12 were correctly lateralized. When comparing the unaffected temporal lobes between patients and control subjects, no statistically significant differences were detected in any metabolites or ratios. CONCLUSION Our study agrees with others in showing decreased N-acetyl aspartate in the hippocampus of seizure patients when compared with control subjects. Using N-acetyl aspartate, N-acetyl aspartate:creatine, N-acetyl aspartate:choline, and N-acetyl aspartate:creatine + choline as our parameters, patients with mesial temporal lobe epilepsy were correctly lateralized with MR spectroscopy when compared with clinical consensus criteria. We consider MR spectroscopy to be complementary to MR imaging. Both studies can be performed as a single integrated examination.
Simultaneous evaluation of pro-self and prosocial bonus schemes: Implications for newer management policies towards social betterment

Prosocial bonuses are incentive schemes where people get bonus money to spend on social causes or colleagues that can potentially improve functioning and satisfaction. It is not yet clear how people would evaluate and choose when simultaneously pro-self and prosocial options are posed. We presented three alternatives simultaneously for a bonus that could be spent on oneself or colleagues or poor people. Two studies measured predicted satisfaction for these alternative ways of spending the bonus and a third study examined whether people would indeed opt to spend a real monetary bonus prosocially when a pro-self option is available. Results provided converging evidences in support of prosocial bonuses if it is spent on poor people but not on colleagues.
A Decision Framework for the Adaptive Management of an Exploited Species with Implications for Marine Reserves

Abstract: Marine reserves have both conservation and fishery benefits. Nevertheless, there are no general criteria about when and where to establish new reserves, how to evaluate their efficacy, and how to conduct adaptive management to achieve conservation goals. We applied a decision‐theory framework to optimally allocate conservation resources between improving data on population status and establishing a reserve for species conservation. Our goal was to maximize reserve benefits given the constraints of a population growth rate that would permit sustainability of resources. We illustrate our decision framework with a retrospective analysis of a 7‐year time series on abundance of the leopard grouper (Mycteroperca rosacea) in the Sea of Cortés, Mexico. We used the lower bound of the distribution of the population growth rate (λ) as a decision rule for determining how many years of monitoring are needed to detect reserve effects. We determined the minimum time frame needed to estimate λ based on a stated level of risk tolerance for four sites. As expected, the coefficient of variation for the λ declined with the number of years of data. This increased precision with additional years of data resulted from the high degree of annual variability in the system. Where populations were slow to respond to reserves, more data were needed to detect a positive λ value. For the leopard grouper case study, confidence in the estimate of λ increased with the number of years of data. Our decision framework may be used to identify the minimum number of years of data needed before a management decision about reserve establishment could be made that is reasonably likely to meet its management objectives.
Influences of Glycosylation on Antigenicity, Immunogenicity, and Protective Efficacy of Ebola Virus GP DNA Vaccines

ABSTRACT The Ebola virus (EBOV) envelope glycoprotein (GP) is the primary target of protective immunity. Mature GP consists of two disulfide-linked subunits, GP1 and membrane-bound GP2. GP is highly glycosylated with both N- and O-linked carbohydrates. We measured the influences of GP glycosylation on antigenicity, immunogenicity, and protection by testing DNA vaccines comprised of GP genes with deleted N-linked glycosylation sites or with deletions in the central hypervariable mucin region. We showed that mutation of one of the two N-linked GP2 glycosylation sites was highly detrimental to the antigenicity and immunogenicity of GP. Our data indicate that this is likely due to the inability of GP2 and GP1 to dimerize at the cell surface and suggest that glycosylation at this site is required for achieving the conformational integrity of GP2 and GP1. In contrast, mutation of two N-linked sites on GP1, which flank previously defined protective antibody epitopes on GP, may enhance immunogenicity, possibly by unmasking epitopes. We further showed that although deleting the mucin region apparently had no effect on antigenicity in vitro, it negatively impacted the elicitation of protective immunity in mice. In addition, we confirmed the presence of previously identified B-cell and T-cell epitopes in GP but show that when analyzed individually none of them were neither absolutely required nor sufficient for protective immunity to EBOV. Finally, we identified other potential regions of GP that may contain relevant antibody or T-cell epitopes.
Contribution of women managers towards the construction industry: Preliminary findings

UK construction industry faces many challenges such as low performance, high dissatisfaction among clients, low productivity, poor image, high fragmentation etc. Recruiting employees, particularly for senior/ middle level management, to fulfil the skills and labour shortages has also been a challenge faced by the industry for many years. The gender segregation pattern of the construction industry seems to be highly according to the societal expectations of the traditional gender roles. In evident to that, more than 85% of the women who are attached to the UK construction industry hold administrative or secretarial positions which are not construction specific occupations. This typical gender segregation has led the industry being unable to benefit from the diverse skills that women could offer. In this context, increasing the number of women managers may have an impact on the typical gender segregation pattern of the industry and in turn may help the industry fulfilling their skills needs. However, it needs to be assured whether the increment in the number of women managers will make the industry better. This research, therefore, explores and investigates the contribution of women managers towards the construction industry. The contribution of the women managers are analysed based on the leadership styles that woman managers typically exhibit in the construction industry. This research adopted case study as the research strategy and used questionnaires and semi-structured interviews as the research techniques. Based on the preliminary analyses of the case studies, all the women managers have demonstrated certain level of leading roles such as commanding, motivating and coaching while maintaining a balance between work and personal life. In terms of gender qualities, all women managers were found to be strong in both their masculinity and femininity adjectives. Further, the women managers perceive themselves as using transformational leadership styles more often than the transactional styles. The above mentioned preliminary findings of the case studies are presented in this paper.
Diversity, fulfilment and privilege: the image of nursing.

AIM To explore the image that nurses have of nursing and the image of nursing held by the public to determine the difference between the two and the impact of this on nurse recruitment. BACKGROUND Recruitment and retention nurses are important to the Strategic Health Authority for London (NHS London) who commissioned a study to explore the image of nursing. METHOD Qualitative survey research was used. Data were collected from nurses and from the public. RESULTS Three themes emerged related to the image of nursing held by nurses. These were diversity, fulfilment and privilege. However, the public image of nursing does not reflect these. The public appear ill-informed of what nurses do, purporting to respect nursing but would not recommend nursing as a career choice for themselves, their children or their pupils. This study could have been enhanced through the use of questionnaires to gain quantitative data about the image of nursing. CONCLUSIONS The public image of nursing appears positive but also has negative aspects. The public image is different from nurse's image of nursing and is based on myth, misconception and stereotype. This may influence recruitment of nurses. IMPLICATIONS FOR NURSING MANAGEMENT The results of this study offer a way forward to develop recruitment strategies that target changing the public's image of nursing.
The Effects of Course Redesign on an Upper-level Geochemistry Course

Introductory courses have received most of the attention in efforts to improve the learning environment in college science courses, but upper-level courses also benefit from a focus on learning goals and the use of alternative teaching methods. For a junior/senior geochemistry course I have successfully incorporated various methods of cooperative learning, including group analysis of questions or problems during class time, and long-term collaborative projects. Traditional exams have been replaced by frequent assignments, project reports, oral presentations and a reflective course summary. Student feedback, achievement, and course evaluations indicate that students reach higher levels of learning and satisfaction that bode well for long-term retention of concepts. The data suggest that working collaboratively during class, discussing homework in class before the due date, and giving regular, timely feedback on assignments are the main reasons for the positive outcomes.
Kriging/RBF-hybrid response surface method for highly nonlinear functions

In order to construct a response surface of an unknown function robustly, a hybrid method between the Kriging model and the radial basis function (RBF) networks is proposed in this paper. In the hybrid method, RBF approximates the macro trend of the function and the Kriging model estimates the micro trend. Then, hybrid methods using two types of model selection criteria (MSC): leave-one-out cross-validation and generalized cross-validation for RBF and the ordinary Kriging (OK) model for comparison are applied to three types of one-dimensional test problems, in which the accuracy of each response surface is compared by shapes and root mean square errors. As a result, the hybrid models are more accurate than the OK model for highly nonlinear functions because the hybrid models can capture the macro trend of the function properly by RBF, but the OK model cannot. However, because the accuracy of the hybrid method turns down significantly when RBF causes overfitting, stable MSC is required. In addition, the hybrid models can find out the global optimum with a few sample points by using the Kriging model's approximation errors effectively.