jimnoneill/paper-to-field-training huggingface dataset:
Structural, vibrational spectroscopy, molecular docking, DFT studies and antibacterial activity of (E)-N1-(3-chlorobenzylidene)benzene-1,4-diamine

Field: Chemistry (Physical Sciences)

In this work, (E)-N1-(3-chlorobenzylidene)benzene-1,4-diamine (CBD) compound was synthesized with good yield. The spectral studies were recorded by FT-IR, FT-Raman, NMR and UV-Vis to determine structural parameters. The geometrical parameters were optimized using DFT calculations at 6-311++G(d,p) basis set. The calculated structural parameters of the molecule were in line with the experimental data. The molecular orbitals of the compound were investigated through highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) analysis. The hyper conjugative interaction energy E(2) along with donor, acceptor electron densities (EDs) were determined by natural bond orbital (NBO) analysis. The molecular electrostatic potential (MEP), mulliken atomic charges, non-linear optical (NLO) properties and potential energy surface (PES) scan were also calculated. The 1H and 13C NMR chemical shifts calculated using Gauge invariant atomic orbital (GIAO) method were compared with the experimental NMR chemical shifts. Thermogravimetry (TG) and Differential Scanning Calorimetry (DSC) were carried out to characterise the thermal behaviour and stability of CBD molecule. In addition, PreADMET tool was also used to estimate ADME and Toxicity of CBD compound. The compound screened against four pathogens two gram positive and two gram negative had shown good anti-bacterial behaviour. The molecular docking studies executed against anti-bacterial target topoisomerase DNA gyrase enzyme (2XCT) emphasized good binding behaviour over the standard drug. Communicated by Ramaswamy H. Sarma
Agency and gift of architecture

Field: Arts and Humanities (Social Sciences)

If agency signifies (first definition, and amongst other things) the ability to act, then architecturally this power is complex in the sense that it is deployed at one remove, that is, via agency (second definition), and such in at least two directions or registers: the agent acts both through others and for others. Taking its clue from an early written building contract, this paper discusses the role of the architect as agent in this light. On the one hand, the role of agent can be seen as a parasitical one, an unnecessary burden (financially and morally) on the ï¿½realï¿½ act of construction. In this sense, we might think of the ideal of a direct and perhaps more natural relationship between construction and inhabitant ï¿½ a relationship unmediated by the law, the contract, and agency, a relationship where the architect is redundant. This status of the agent/architect is discussed in relation to Saint Paulï¿½s notion of ï¿½sinï¿½ and the possibility of a salvation which is linked by Badiou to the gift, kharisma; and the paper concludes by positing what the nature of an architectural gift might be.
Radio-opaque pellets as faecal markers for faecal fat estimation in malabsorption.

Field: Medicine (Health Sciences)

Thirty-seven patients undergoing routine investigation for malabsorption were given radio-opaque pellets (ROP) which were compared with polyethylene glycol and chromic oxide as continuous faecal markers. Percentage recovery of all markers showed a wide range. The recovery of all markers was very similar, and radio-opaque pellet-corrected daily faecal fat correlated very closely with PEG-and chromic oxide-corrected fat results. Estimation of ROP is precise, simple, and minimises faecal handling. ROP are suitable for routine use in faecal fat studies and have advantages over markers used at present.
STUDY ON THE LATENT IRON DEFICIENCY IN PATIENTS WITH TRICHURIASIS

Field: Medicine (Health Sciences)

Trichuriasis is an intestinal parasitic disease which is caused by Trichuris trichiura, a soil transmitted helminth. In order to evaluate the iron status of trichuriasis in patients a total of 120 (49 males and 71 females) cases with Trichuris trichiura as well as 54 healthy individuals were evaluated. Blood samples were analyzed for serum iron, transferrin saturation percent, haemoglobin and other haematological indices. Anaemia based on haemoglobin level less than 13 mg/dI in males and less than 12 mg/dI in females were found in 10 (7 males and 3 females) patients. Of remaining 110 non anaemic patients 11% (14.3% of males and 8.8% in females) would be classified as iron deficient by serum iron and 6% by transferrin saturation percent. These findings suggest that serum iron and percent transferrin saturation are valid and sensitive tests for detecting iron deficiency in these patients; and T.trichiura infection is associated with high incidence of iron deficiency.
Temperature dependence of the intrastack exchange interaction for a quasi-one-dimensional organic conductor

Field: Chemistry (Physical Sciences)

The electron spin resonance (ESR) of $(\mathrm{pyrene}{)}_{12}({\mathrm{SbF}}_{6}{)}_{7}$ is measured as function of crystal orientation for temperatures above and below the Peierls transition temperature ${T}_{P}=116\mathrm{K}.$ The principal values of the pyrene g tensor (2.00274, 2.00235, 2.00225) are determined. In spite of a defect concentration amounting to $2--3\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}2}$ per formula unit, the ESR linewidth is below 60 mG in the metallic phase. The temperature dependence of the intrastack exchange interaction between localized defects and conduction electrons is derived. The exchange integral decreases by a factor of 8 between ${T}_{P}$ and room temperature.
Paradoxie der Machttheorie

Field: Arts and Humanities (Social Sciences)

The 4th edition of the first volume of this work provides an update of the commentary on the preamble and articles 1 to 19 in case law and literature. The structure of the book has been retained and its content supplemented by more recent developments, such as the implications of Europeanisation and digitalisation as well as the Corona pandemic. As of the 4th edition, Frauke Brosius-Gersdorf has taken over the editorship of the commentary.
An Investigation of the Impact of Bacterial Diversity, Pathogenic Determinants and Biofilms on Chronic Wounds

Field: Immunology and Microbiology (Life Sciences)

The researcher investigated the abundance and diversity of bacteria in chronic wounds. Chronic wounds are a significant public health burden and associated with complex polymicrobial communities. Bacterial colonization has been hypothesized to be one of the main underlying causes of chronic wounds and leads to detrimental effects on wound healing. Next-generation sequencing technologies were utilized to identify possible bacterial biomarkers to predict wound healing trajectory. Overall, bacterial bioburden and their molecular characteristics were found to be associated with and predictive of poor wound healing outcomes. This research has been presented at conferences and in publications.
Ischemia considerations for the development of an organ and tissue donor derived bone marrow bank

Field: Medicine (Health Sciences)

Abstract Background Deceased organ donors represent an untapped source of therapeutic bone marrow (BM) that can be recovered in 3–5 times the volume of that obtained from living donors, tested for quality, cryopreserved, and banked indefinitely for future on-demand use. However, a challenge for a future BM banking system built to a genetically diverse scale, will be to manage the prolonged ischemia times that inevitably occur, when bones procured at geographically-dispersed locations are shipped to distant facilities for processing. The goals of this study were: (a) to quantify, under realistic and scaled procurement and shipping conditions, the relationship between ischemia time and the quality of hematopoietic stem and progenitor cells (HSPCs) derived from deceased-donor BM; (b) to identify ischemia-time boundaries beyond which HSPC quality is adversely affected; and (c) to investigate whole-body cooling as a strategy for preserving cell viability and function. Methods Seventy-five bones from 62 deceased donors were analyzed for CD34 + viability following their exposure to various periods of warm-ischemia time (WIT), cold-ischemia time (CIT), and body-cooling time (BCT). Regression models were developed to quantify the independent associations of WIT, CIT, and BCT, with the viability and function of recovered HSPCs. Results Results demonstrate that under “real-world” scenarios: (a) combinations of warm- and cold-ischemia times favorable to the recovery of high-quality HSPCs are achievable (e.g., CD34 + cell viabilities in the range of 80–90% were commonly observed); (b) cooling the body prior to bone recovery is detrimental to cell viability (e.g., CD34 + viability < 73% with , vs. >89% without body cooling); and (c) vertebral bodies (VBs) are a superior source of HSPCs compared to ilia (IL) (e.g., %CD34 + viability > 80% when VBs were the source, vs. <74% when IL were the source). Conclusions Our quantitative models can be used to formulate ischemia-time tolerance limits and HSPC quality-acceptance criteria, and to inform an emerging BM banking system seeking to institute data-driven industry standards.
Preprint typeset using L ATEX style emulateapj v. 04/03/99 ULTRALUMINOUS X–RAY SOURCES IN EXTERNAL GALAXIES

Field: Physics and Astronomy (Physical Sciences)

We investigate models for the class of ultraluminous non–nuclear X–ray sources (ULXs) seen in a number of galaxies and probably associated with star–forming regions. Models where the X–ray emission is assumed to be isotropic run into several difficulties. In particular formation of sufficient numbers of the required ultramassive black–hole X–ray binaries is problematic, and the likely transient behaviour of the resulting systems is not in good accord with observation. The assumption of mild X–ray beaming suggests instead that ULXs may represent a shortlived but extremely common stage in the evolution of a wide class of X–ray binaries. The best candidate for this is the phase of thermal–timescale mass transfer inevitable in many intermediate and high–mass X–ray binaries. This in turn suggests a link with the Galactic microquasars. The short lifetimes of high–mass X–ray binaries would explain the association of ULXs with episodes of star formation. These considerations still allow the possibility that individual ULXs may contain extremely massive black holes. Subject headings: accretion, accretion discs — binaries: close — X-rays: stars 1.
Evaluation of common vetch (Vicia sativa cv. Morava) for growing pigs

Field: Agricultural and Biological Sciences (Life Sciences)

The response to the inclusion of common vetch (Vicia sativa cv. Morava) at levels up to 225 g/kg diet was evaluated in growing pigs between 91 and 161 days of age. A total of 312 male pigs, selected at a liveweight of 37.6 ± 0.24 kg, were group housed in pens of 19–20 pigs, each initially in commercial grower facilities, which were then split within treatment into pens of 9–10 pigs in commercial finisher facilities. Pens were randomly allocated to 1 of 4 diets, 4 pens per diet. Vetch replaced peas in the wheat-based, protein-adequate diets at levels of 0, 75, 150 and 225 g/kg diet, with the digestible energy and lysine levels being similar for each diet. Pigs were offered the experimental grower diets for 4 weeks, followed by the corresponding experimental finisher diet for 6 weeks. Growth performance was not significantly affected by level of vetch up to 225 g/kg during the first 4 weeks of feeding with average growth rate, feed intake and feed conversion efficiency being 871.5 g/day, 1.90 kg/day, and 2.20 kg feed/kg gain, respectively. However, a significant negative linear response was observed for feed intake in pigs between 119 and 161 days of age, which resulted in voluntary feed intake decreasing from 2.62 to 2.44 kg/day when inclusion of Morava vetch increased from 0 to 225 g/kg. A significant curvilinear response was also observed in growth rate and feed conversion ratio during this period. These significant effects during the later growth phase resulted in significant decreases in voluntary feed intake and growth rate from 2.34 to 2.17 kg/day, and from 948 to 873 g/day, respectively, for the entire growth period as Morava vetch was increased from 0 to 225 g/kg diet. Thus, it is suggested that Morava vetch could be fed at rates up to 225 g/kg for pigs between 91 and 119 days of age, but should be reduced to less than 150 g/kg if feeding continues beyond 119 days of age.
Support design of main retracement passage in fully mechanised coal mining face based on numerical simulation

Field: Engineering (Physical Sciences)

Abstract For the comprehensive mechanised coal mining technology, the support design of the main withdrawal passage in the working face is an important link to achieve high yield and efficiency. Due to the impact of mining, the roof movement of the withdrawal passage is obvious, the displacement of the coal body will increase significantly, and it is easy to cause roof caving and serious lamination problems, and even lead to collapse accidents, which will affect the normal production of the mine. In this paper, the mining pressure development law of the main withdrawal passage support under the influence of dynamic pressure is designed, the most favourable roof failure form of the withdrawal passage is determined, and the action mechanism and applicable conditions of different mining pressure control measures are studied. The pressure appearance and stress distribution in the final mining stage of fully mechanised coal face are studied by numerical simulation. The deformation and failure characteristics and control measures of roof overburden in the last mining stage of fully mechanised coal face are analysed theoretically. Due to the fact that periodic pressure should be avoided as far as possible after the full-mechanised mining face is connected with the retracement passage, some auxiliary measures such as mining height control and forced roof blasting are put forward on this basis. The relative parameters of the main supporting forms are calculated. The main retracement of a fully mechanised working face in a coal mine channel is put forward to spread the surrounding rock grouting reinforcement, reinforcing roof, and help support and improve the bolt anchoring force, the main design retracement retracement channels in the channel near the return air along the trough for supporting reinforcing surrounding rock control optimisation measures, such as through the numerical simulation analysis, the optimisation measures for coal mine fully mechanised working face of surrounding rock is feasible. Numerical simulation results also show that the surrounding rock control of fully mechanised working face of coal mine design improvements, its main retreat channel under the roof subsidence, cribbing shrank significantly lower, and closer, to better control the deformation of surrounding rock, achieved significant effect, to ensure the safety of coal mine main retracement channel of fully mechanised working face support.
Mucosa-Associated Invariant T Cells Are Systemically Depleted in Simian Immunodeficiency Virus-Infected Rhesus Macaques

Field: Immunology and Microbiology (Life Sciences)

ABSTRACT Mucosa-associated invariant T (MAIT) cells contribute to host immune protection against a wide range of potential pathogens via the recognition of bacterial metabolites presented by the major histocompatibility complex class I-related molecule MR1. Although bacterial products translocate systemically in human immunodeficiency virus (HIV)-infected individuals and simian immunodeficiency virus (SIV)-infected Asian macaques, several studies have shown that MAIT cell frequencies actually decrease in peripheral blood during the course of HIV/SIV disease. However, the mechanisms underlying this proportional decline remain unclear. In this study, we characterized the phenotype, activation status, functionality, distribution, and clonotypic structure of MAIT cell populations in the peripheral blood, liver, mesenteric lymph nodes (MLNs), jejunum, and bronchoalveolar lavage (BAL) fluid of healthy and SIV-infected rhesus macaques (RMs). Low frequencies of MAIT cells were observed in the peripheral blood, MLNs, and BAL fluid of SIV-infected RMs. These numerical changes were coupled with increased proliferation and a highly public T cell receptor alpha (TCRα) repertoire in the MAIT cell compartment without redistribution to other anatomical sites. Collectively, our data show systemically decreased frequencies of MAIT cells likely attributable to enhanced turnover in SIV-infected RMs. This process may impair protective immunity against certain opportunistic infections with progression to AIDS. IMPORTANCE The data presented in this study reveal for the first time that MAIT cells are systemically depleted in an AIDS virus infection. These findings provide a new mechanistic link with our current understanding of HIV/SIV pathogenesis and implicate MAIT cell depletion in the disease process.
Abstract 4219: Breast cancer distribution and survival among Buddhist and Muslim women in southern Thailand

Field: Medicine (Health Sciences)

Abstract Objective: Thailand is undergoing a period of rapid economic growth, which has led to an epidemiologic transition from infectious to chronic diseases such as cancer. Preliminary research shows a difference in rates of breast cancer incidence and mortality between Buddhist and Muslim women in southern Thailand. This study examines differences in breast cancer and potential explanations for this disparity. Methods: Demographic, diagnostic, and outcome data from breast cancer patients diagnosed from 2001-2015 were collected from a population-based cancer registry in southern Thailand and matched with formalin-fixed paraffin-embedded blocks from Songklanagarind Hospital. This region was selected due to the relatively high proportion of Muslim women. Of 424 cases selected, 369 were Buddhist and 55 were Muslim. Formalin-fixed paraffin-embedded blocks were sent to Michigan Medicine and histological and subtype analyses were performed by two pathologists. Statistical analysis was performed in RStudio using chi-square tests of independence, logistic regression, and Cox proportional hazards models. Results: Muslim women were generally diagnosed at a younger age than Buddhist women (Muslim mean: 46.6 years, Buddhist mean: 52.7 years) and with later stage cancers (Muslim: 36% stage 3 and 14% stage 4, Buddhist: 20% stage 3 and 8% stage 4). Buddhist and Muslim women had similar distributions of Luminal A and B subtypes, but Muslim women were more likely to be diagnosed with Triple Negative breast cancer (Muslim: 30%, Buddhist: 18%), the histological subtype with the worst prognosis. Invasive ductal carcinoma was most common in both groups, but Buddhists had more heterogeneity in subtypes. There were no significant differences in tumor histology or subtype by religion. Conclusions: These analyses show differences in the distribution of breast cancer between Buddhist and Muslim women. Muslim women are diagnosed younger with later stage breast cancers, and with histological differences, which generally lead to lower survival rates. Lack of statistical significance may be due to small sample size, necessitating further studies. Citation Format: Kali Defever, Katie M. Rentschler, Ana Khazan, Elizabeth Pinkerton, Shama Virani, Hutcha Sriplung, Judy Pang, Celina G. Kleer, Carlos F. Mendes de Leon, Justin A. Colacino, Laura S. Rozek. Breast cancer distribution and survival among Buddhist and Muslim women in southern Thailand [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2018; 2018 Apr 14-18; Chicago, IL. Philadelphia (PA): AACR; Cancer Res 2018;78(13 Suppl):Abstract nr 4219.
The Anti-Tumor Effect of Interleukin-12 is Enhanced by Mild (Fever-Range) Thermal Therapy

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

The cytokine interleukin 12 (IL-12) has resulted in notable anti-tumor activity in animal models and in patients and as a result there is considerable interest in learning how to maximize its therapeutic potential while at the same time reducing its known toxic side effects. Strategies which could maintain its effectiveness while permitting reduced dosage could be especially valuable. In this study we used BALB/c mice bearing CT26 tumors as a model for testing whether combining murine IL-12 with a mild (fever range) whole body hyperthermia protocol could result in such a strategy. Our data revealed that 100 ng of IL-12/mouse/day used in combination with FR-WBH was as effective as one in which 300 ng of IL-12/mouse/day was used alone. Importantly, the mice receiving the combination treatment exhibited fewer treatment related toxicities compared to those that received high dose IL-12 alone. Initiation of the IL-12 treatment immediately after FR-WBH induced the greatest anti-tumor effect. This effect does not appear to depend on differences in IL-12-induced IFN-gamma, but may involve production of nitric oxide (NO), since treatment of mice with a NOS inhibitor, NG-monomethyl-L-arginine (L-NMA), abolishes the additive anti-tumor effect of the combination treatment. Collectively, these data suggest that modification of physiological parameters in the host by mild fever-like thermal stimuli may be an effective and feasible adjuvant for cytokine-based immunotherapeutic strategies.
ПОРООБРАЗУЮЩИЕ СВОЙСТВА ХЕЛИКАЗЫ SSOHEL308 ИЗ SACCHAROLOBUS SOLFATARICUS

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

The pore-forming activity of SsoHel308 helicase from extreme thermophilic archaea Saccharolobus solfataricus has been demonstrated for the first time. This protein, embedded into rabbit erythrocyte membranes, may cause erythrocyte hemolysis. It has been shown that this enzyme forms pores in a flat artificial bilayer membrane and acts as the transformer. After embedding this enzyme into bilayer lipid membranes, the membrane conductivity alters. Taken together, our results show that SsoHel308 helicase is able to form pores in artificial bilayer membranes and, in some cases, the current that flows across the membranes shares features typical of ion channels. The short lifetime of the pores in the membrane significantly reduces the toxicity of helicase for a living cell, and the possibility of directed translocation of single-stranded DNA in the presence of ATP will enable the use of this enzyme as a molecular syringe for injecting single-stranded DNA into living cells.
CORRECTNESS: A VERY IMPORTANT QUALITY FACTOR IN PROGRAMMING

Field: Computer Science (Physical Sciences)

Abstract. Correctness is one of the most important property of a program. Nevertherless, the students are usually not taught to prove the correctness of their programs, and when it is done, they dislike this activity. The importance of program correctness, and the necessity to teach it from the first course in programming, are underlined. Also, some consequences on the education activity are considered.