jimnoneill/paper-to-field-training huggingface dataset:
Computational investigations of gas and condensed phase systems

Field: Chemistry (Physical Sciences)

Ab initio molecular orbital calculations have been used to determine energy profiles for the S$\\sb{N}$2 reactions of OH$\\sp-$ and OOH$\\sp-$ with CH$\\sb3$C$\\ell$. Geometry optimizations were carried out at the Hartree-Fock level with the 6-31 + G(d) basis set, including second and third-order Moller-Plesset theory. Though the reactions are exothermic by 40-50 kcal/mol, both are found to have the double-well energy surfaces characteristic of gas-phase S$\\sb{N}$2 reactions. Ab initio MO calculations have also been used to study the optimal reaction paths for the displacement reactions of chloride ion with formyl and acetyl chloride. Geometry optimizations were carried out primarily with the 3-21 + G basis set, while energies were computed at levels as high as MP3/MP2/6-31 + G(d). For formyl chloride, the tetrahedral adduct and a fully planar alternative with C$\\sb{2v}$ symmetry are both transition states at the 3-21 + G level. A minimum energy reaction path and free energy of activation profile have been computed for the addition of dichlorocarbene to ethylene by ab initio MO methods. At the MP2(FULL)/6-31G(d) level, a 2 kcal/mol deep energy minima is found for a $\\pi$-complex and the overall barrier to reaction is only 0.6 kcal/mol. However, the free energy barrier for the reaction is ca. 11.7 kcal/mol, and the $\\pi$-complex is not a free energy minimum. Analysis of the Cambridge Structural Database and results of ab initio MO calculations provide insights into the bond angle widening at oxygen and lowered basicity observed for silyl ethers in comparison to alkyl ethers. An explanation that considers the detailed nature of the HOMO and concepts from Walsh diagrams accounts for the structural and chemical observations in a comprehensive manner. Monte Carlo statistical mechanics simulations and analyses of intrinsic interaction energies have been used to elucidate the observed strong binding of adenine derivatives to Zimmerman's molecular tweezer in chloroform. Hydrogen bonding and $\\pi$-stacking are found to contribute about equally to the remarkably strong interaction of the tweezer and 9-methyladenine. The absolute free energy of binding for the acid and 9-methyladenine in chloroform was also computed.
Counterflow measurements in strongly correlated GaAs hole bilayers: evidence for electron-hole pairing

Field: Physics and Astronomy (Physical Sciences)

We study interacting GaAs bilayer hole systems, with very small interlayer tunneling, in a counterflow geometry where equal currents are passed in opposite directions in the two, independently contacted layers. At low temperatures, both the longitudinal and Hall counterflow resistances tend to vanish in the quantum Hall state at total bilayer filling $ν=1$, demonstrating the pairing of oppositely charged carriers in opposite layers. The temperature dependence of the counterflow Hall resistance is anomalous compared to the other transport coefficients: even at relatively high temperatures ($\sim$600mK), it develops a very deep minimum, with a value that is about an order of magnitude smaller than the longitudinal counterflow resistivity.
Laparoscopic surgery for endometrial cancer: long-term results of a multicentric study.

Field: Medicine (Health Sciences)

The study illustrates that laparoscopically assisted surgical staging of endometrial cancer is safe as an open procedure. The laparoscopic approach may also be considered for endometrial malignancy which typically occurs in obese and elderly, high-risk women. Our analysis showed no difference with respect to recurrence or survival between the compared laparoscopic and the open group.
Analysis on conservative DNA segment for different species fo Castanea in China by RAPD marker

Field: Agricultural and Biological Sciences (Life Sciences)

Identification method of plant species mainly done according to their morphologic characters can not be applied to close species or their parts of tissue.However,development of DNA molecular markers during the past more than 10 years made it possible.This paper studies the application of RAPD molecular marker in distinguishing 3 different species following Castanea mollissima,C.henyi and C.seguinii.The results shown that different special conservative segment of each species was enlarged with primer B07(GTCCACACGG).Respectively three species-specific DNA segments weighted of 2 050 bp,900 bp and 1 500 bp.This method can be used in species identification widely.
2978 Hypothyroidism Is Associated With Lower Mortality in Hospitalized Patients With Cirrhosis

Field: Medicine (Health Sciences)

INTRODUCTION: The liver is involved in the synthesis of thyroid binding proteins, the peripheral conversion of T4 to T3, and thyroid hormone conjugation and excretion. Consequently, liver dysfunction is associated with a decrease in thyroid hormone levels. Previous studies have supported thyroid hormone levels to have a predictive role for survival in critically ill patients. Here, we seek to evaluate if hypothyroidism influences survival in hospitalized patients with cirrhosis. METHODS: The National Inpatient Sample (NIS) is an inpatient database comprising approximately 20% of all inpatient admissions to hospitals in the United States. From the database, we collected data from hospitalized patients with cirrhosis listed as primary or secondary diagnosis and divided them into two subgroups: those with a diagnosis of hypothyroidism and those without. We reviewed and compared the two groups for mean hospital length of stay in days, Charlson comorbidity index as well as rates in mortality. IBM Statistical Package for the Social Sciences (SPSS) was used for statistical analysis. RESULTS: A total of 338, 990 cases of patients from the 2012-2014 NIS database had cirrhosis as primary or secondary diagnosis. 35,135 of these patients (10.36%) had hypothyroidism. The mean length of hospital stay in patients with cirrhosis and hypothyroidism was 5.1 days and 4.9 days for those without hypothyroidism. Charlson comorbidity index was significantly higher ( P < 0.05) in cirrhotic patients with hypothyroidism. In the patients with cirrhosis, the mortality was 4%. In the subgroup with hypothyroidism, the mortality was 3.2% while the other subgroup without hypothyroidism was 4.1%. After adjusted for age, sex, race, and the Charlson comorbidity index, the group of patients with hypothyroidism had lower mortality (OR: 0.74, 95% CI (0.7-0.8). CONCLUSION: Our results show that cirrhotic patients with hypothyroidism had a higher comorbidity but a lower rate of mortality in the hospital than those without hypothyroidism. A review of the literature showed no consensus of suppressed total thyroid hormone level and its association with mortality. Some studies demonstrate that lower fT3 levels are directly associated with severity of liver disease and that lower fT3 was associated with higher mortality risk in the ICU setting. Further studies should be done to explore this association.
Understanding knowledge and creativity-based development in well-established cities and urban regions

Field: Social Sciences (Social Sciences)

Developing creative and knowledge-intensive economic activities is an objective for many well-established cities and urban regions. We aim to enhance the understanding of that process by focusing on the institutional and local/regional contexts in which the activities take place. We offer a 'thick description' showing the role played by deep structural and contemporary contexts in the growth of these activities. The regions of Madrid and Amsterdam have been selected to illustrate our ideas and method. They appear equally well-established, are well-embedded in the global economy and are both strong economic centres. However, they are also well-positioned to demonstrate that specific contexts have influenced their development. In particular, Madrid's political and economic ruptures seem decisive in its development, while in Amsterdam it is self-reinforcing paths that appear crucial. We suggest developing tailored context-sensitive urban policies. These will be effective, but will also reduce the risk of losing local characteristics that may offer a unique competitive advantage.
Nanoemulsion: A Potential Carrier for Topical Drug Delivery

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

Nanoemulsions (NEs) are stable nanocarrier systems consisting mainly of oil and water, which are stabilized by surfactant with cosurfactant. Due to their typical size, nano-emulsions are transparent or translucent, and minute droplet size makes them stable against sedimentation or creaming. The nanoemulsion system may be in the form of oil-in-water (O/W) or water-in-oil (W/O). The recent literature revealed that NEs as a colloidal carrier system has been confirmed to be a valuable strategy to improve the bioavailability of topically applied drugs. NE has been proposed as a viable alternative to conventional topical dosage forms due to the ability to overcome the skin/ocular barriers faced after administration. Better permeation rate, improved therapeutic efficacy and reduction of dose, non–specific toxicity, and targeted drug delivery system can improve drug effectiveness when drugs are incorporated into NEs. In recent years, research studies have focused more on ion nanoemulsion systems using a mixture of surfactants to solve critical factors, such as solubility, stability, and drug delivery applications. This chapter outlines the recent development in nanoemulsion as a delivery system to study topical drug delivery.
Properties of the residual circle action on a toric hyperkahler variety

Field: Mathematics (Physical Sciences)

We consider a manifold X obtained by a Kahler reduction of C^n, and we define its hyperkahler analogue M as a hyperkahler reduction of T^*C^n = H^n by the same group. In the case where the group is abelian and X is a smooth toric variety, M is a toric hyperkahler manifold, as defined by Bielawski-Dancer, and further studied by Konno and Hausel-Sturmfels. The manifold M carries a natural action of S^1, induced by the scalar action of S^1 on the fibers of T^*C^n. In this paper we study this action, computing its fixed points and its equivariant cohomology. As an application, we use the associated Z/2 action on the real locus of M to compute a deformation of the Orlik-Solomon algebra of a smooth, generic, real hyperplane arrangement, depending nontrivially on the affine structure of the arrangement. This deformation is given by the Z/2-equivariant cohomology of the complement of the complexification, where Z/2 acts by complex conjugation.
EPR of defects in silicon-on-insulator structures formed by ion implantation. I. O+implantation

Field: Materials Science (Physical Sciences)

EPR measurements at X band and room temperature have been made of defects produced by implanting (100) and (111) silicon wafers with doses >1018 O- cm-2 using 300 keV O- and 400 keV O2+ ions and an implantation temperature of 500-600 degrees C. These doses are sufficient to form a buried SiO2 layer. The main features of the EPR spectra are attributed to three types of defect, with (i) g=2.0003(3), (ii) g=2.0013(2), g-=2.0082(2) with the axis parallel to any (111)-type direction and (iii) g=2.0054(3). The defects are suggested to be respectively (i) E'1 centres in the a-SiO2 layer, (ii) Pb0-like centres primarily at Si/SiO2 interfaces of SiO2 precipitates and (iii) amorphous silicon centres, possibly associated with oxygen. The angular dependence of the Pb0-like centre linewidth is measured and interpreted in terms of a spread in g-values. Annealing and etching studies have also been made.
PD-1 inhibitors induced bullous lichen planus-like reactions: a rare presentation and report of three cases

Field: Medicine (Health Sciences)

The introduction of immunotherapy such as antiprogrammed death1 (anti-PD1) monoclonal antibodies has changed the scenario of treatment in cancer. Apart from their impressive efficacy profiles, they are better tolerated than the anticytotoxic T-lymphocyte-associated protein 4 antibodies. Dermatological adverse events such as pruritus and rash have been reported in various clinical trials. We report three cases of anti-PD1-induced bullous lichen planus (LP)-like reactions encountered in our institution. These patients developed LP-like papules and annular plaques with vesicles or crusted centres. Histology showed LP-like changes with negative immunofluorescence. Vesiculobullous lesions in patients treated with anti-PD1 therapies require a careful clinicopathological evaluation.
Anti-staphylococcal enterotoxin A and B immunoglobulin E in COPD

Field: Medicine (Health Sciences)

Introduction: Sensitization to staphylococcus aureus enterotoxins A (SEA) and B (SEB) has been associated with asthma severity, exacerbations and disease control. We aimed to elucidate if there are differences in serum SEA-IgE and SEA-IgE between patients with COPD, asthma and controls and to associate SE sensitization with clinically relevant COPD outcomes. Methods A derivation cohort [73 COPD patients, 19 asthma patients and 27 sex-matched blood donors, smokers without asthma or COPD (control group)] and a confirmation cohort [342 well-characterized COPD patients] were included in this study. Total IgE levels (tIgE) were determined in serum using the ALEX2 Allergy Explorer. Serum specific SEA-IgE and SEB-IgE were measured using the monoplex ImmnoCAP assay. Results In the derivation cohort, neither the percentage nor the concentrations of SEA and SEB differ significantly across the groups. In the confirmation cohort, there were 28 (8.2%) SEA-IgE positive and 40 (11.7%) SEB-IgE positive COPD patients. SEB-IgE positivity was associated to a lower incidence of severe exacerbation as compared to SEB-IgE negativity (80% versus 72.8%, p<0.001). Allergy both in the skin prick test and a rhinitis history were more common among SEA-IgE and SEB-IgE positive patients. SEA-IgE and SEB-IgE positivity was also associated with atopy. Conclusion There is a similar prevalence of SEA and SEB sensitization among asthma, COPD and controls. Although COPD patients do not appear to have higher SEA and SEB sensitization than asthma patients and controls, atopy and allergy are both associated with SEA-IgE and SEB-IgE positivity in COPD patients. Thus, these allergens might help identifying atopic or allergic COPD subgroups.
Analysis of Flavanone 3-Hydroxylase in Arabidopsis Seedlings (Coordinate Regulation with Chalcone Synthase and Chalcone Isomerase)

Field: Biochemistry, Genetics and Molecular Biology (Life Sciences)

Abstract A genomic clone encoding flavanone 3-hydroxylase (F3H) was isolated from Arabidopsis thaliana. The deduced amino acid sequence is 72 to 94% identical to all previously reported F3H proteins. Low-stringency DNA blot analysis indicated that F3H is encoded by a single gene in Arabidopsis. The F3H locus was mapped to the bottom of chromosome 3 and therefore does not correspond to any of the 13 flavonoid-deficient transparent testa mutants for which a map position is known. Analysis of gene expression in etiolated seedlings exposed to white light and in two putative regulatory mutants, ttg and tt8, demonstrated that the Arabidopsis F3H gene is coordinately expressed with chalcone synthase and chalcone isomerase in seedlings, whereas dihydroflavonol reductase expression is controlled by distinct regulatory mechanisms. The F3H gene may represent a pivotal point in the regulation of flavonoid biosynthesis because its expression is coordinated with different subsets of genes in different plant species.
ChemInform Abstract: Regiospecific Synthesis of 2‐Hydroxytestosterone.

Field: Chemistry (Physical Sciences)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Chinese Canadians: Exercising Social Power through Affiliations

Field: Social Sciences (Social Sciences)

The Chinese presence within the dominant Canadian host society has been one of struggle and triumph. Racial attitudes caused extreme forms of stereotyping and prejudice against the Chinese residing in Canada. Although many scholars discuss the history of racism against the Chinese in Canada, most leave the Chinese voiceless and do not consider the internal and external powers within the Chinese communities. The Chinese were not defenceless and by creating associations they were able to voice their opinions. Also, by aligning themselves to religious organizations and joining in the military effort, they were able to create their own identity and gain an even footing in the social hierarchy within Canada. Thus, Chinese Canadians have been in full control of creating their own cultural identity within diverse Chinese communities. Chinese associations were established soon after the arrival of the first Chinese settlers in Canada, notably the Chinese Consolidated Benevolent Association (CCBA) which dealt with numerous issues, charities, some of which provided housing, cultural celebration, and much more. The Chinese created a distinct culture, while at the same time becoming a part of Canada’s cultural mosaic. Despite deep-seated racial oppression, the Chinese Canadians were able to exercise social power by establishing the CCBA, creating associations and assimilating through religious and military affiliations.
Effectiveness of a Polyphenolic Extract (Lippia Citriodora and Hibiscus Sabdariffa) on Appetite Regulation in Overweight and Obese Grade I Population: A 8 weeks Randomized, Double-Blind, Cross-Over, Placebo-Controlled Trial

Field: Medicine (Health Sciences)

Abstract

Background: Polyphenols have shown capacity to improve appetite sensation, leading to enhanced control of body weight. However, despite being related with hunger-related hormones, metabolic and mechanism is not well known.Methods: The effectiveness of a nutraceutical composed of extract to Lippia citriodora and Hibiscus sabdarrifa (Lc-Hs) for controlling satiety and hunger was analyzed in a placebo controlled (Pla) clinical intervention. The study was divided in two 60 days periods separated by 30 days length washout period. At the end of each period, volunteers (n=33; both sexes) were proposed to eat an ad-libitum meal. Meanwhile, appetite sensation was determined by visual analog scales at different times. Moreover, blood extraction was performed to evaluate hunger-related hormones (insulin, leptin, ghrelin, adiponectin, GLP-1 and peptide YY) and glycemic and lipid profile. Results: A decrease in appetite sensation was observed in Lc-Hs group, showing higher satiety quotient (Pla = 3.36 ± 2.33 %/kcal; Lc-Hs = 5.53 ± 2.91 %/kcal; p<0.0001). Area under the curve was higher in Pla compared to Lc-Hs during the test, from baseline to minute 240 (240 (Pla 9136.65 ± 2261.46 % x min-1; Lc-Hs 8279.73 ± 2745.71 % x min-1; p<0.014). Leptin values varied from baseline (Pla 12.36 ± 1.98 ng/mL; Lc-Hs 13.13 ± 1.99 ng/mL) to the end of the study (Pla 12.60 ± 2.02 ng/mL; Lc-Hs 12.06 ± 2.05 ng/mL; p<0.047). GLP-1 values varied (p<0.001) in Lc-Hs group from baseline (4.34 ± 0.49 ng/mL) to the end of the study (3.23 ± 0.52 ng/mL).Conclusion: The supplementation with the Lc-Hs extract decreases appetite sensation in overweight and obese population, reducing calorie intake after an ad-libitum meal. Due to variation on hunger-related hormones and the relationship between satiety feeling, it would be interesting to develop future research focused on the variation of the hormones themselves.
Optimization-Based Ramping Reserve Allocation of BESS for AGC Enhancement

Field: Energy (Physical Sciences)

The transient behavior of Automatic Generation Control (AGC) systems is a critical aspect of power system operation. Therefore, fully extracting the potential of Battery Energy Storage Systems (BESSs) for AGC enhancement is of paramount importance. In light of the challenges posed by diverse resource interconnections and the variability associated, we propose an online optimization scheme that can adapt to changes in an unknown and variable environment. To leverage the synergy between BESSs and Conventional Generators (CGs), we devise a variant of the Area Injection Error (AIE) as a measure to quantify the ramping needs. Based on this measure, we develop a distributed optimization algorithm with adaptive learning rates for the allocation of the ramping reserve. The algorithm restores a larger learning rate for compliance with the ramping needs upon detecting a potentially destabilizing event. We demonstrate the effectiveness and scalability of the proposed scheme through comprehensive case studies. It is shown that the proposed scheme can improve the transient behavior of the AGC system by bridging the gap in ramping capability.
Sportif.App as an Effort to Increase Sports Human Resources Readiness and Digitalization of Sports Data Information Management

Field: Health Professions (Health Sciences)

This research is a continuation of community service activities entitled "Introduction and Training of the Sportif.App Application as an Effort to Increase the Readiness of Sports Human Resources and Digitalization of Sports Data Information Management at KONI Surakarta City." Through this tridharma activity, the writing team continued with research aimed at describing and analyzing the benefits of Sportif.App in increasing the readiness of sports human resources through digitizing sports data information management. The research method used is descriptive qualitative which is based on the results of interviews and observations. The Sportif.App application really helps sports human resources by providing data management services that are easy to access and provide information at any time. Administrative requirements can be integrated with sports databases (such as sports, achievements, coaches, referees, etc.), documented, and uploaded through the information system, including verification mechanisms and information about required administrative completeness, as well as monitoring data progress. In this way, sports human resources can work effectively and efficiently in reporting at any time without being limited by time and space. Keywords : Sportif.app, information management, sports data information
Occurrence of entomopathogenic fungi in tejocote (Crataegus mexicana) orchard soils and their pathogenicity againstRhagoletis pomonella

Field: Agricultural and Biological Sciences (Life Sciences)

Our study has produced new information about the distribution of entomopathogenic fungi in cultivated soils from this region of North America, contributing to a better understanding of their natural occurrence and underpinning the development of biological control approaches.