jimnoneill/paper-to-field-training huggingface dataset:
Deep analysis of N-cadherin/ADH-1 interaction: a computational survey

Due to the considerable role of N-cadherin in cancer metastasis, tumor growth, and progression, inhibition of this protein has been highly regarded in recent years. Although ADH-1 has been known as an appropriate inhibitor of N-cadherin in clinical trials, its chemical nature and binding mode with N-cadherin have not been precisely specified yet. Accordingly, in this study, quantum mechanics calculations were used to investigate the chemical nature of ADH-1. These calculations clarify the molecular properties of ADH-1 and determine its reactive sites. Based on the results, the oxygen atoms are suitable for electrophilic reactivity, while the hydrogen atoms that are connected to nitrogen atoms are the favorite sites for nucleophilic reactivity. The higher electronegativity of the oxygen atoms makes them the most reactive portions in this molecule. Molecular docking and molecular dynamics (MD) simulation have also been applied to specify the binding mode of ADH-1 with N-cadherin and determine the important residues of N-cadherin involving in the interaction with ADH-1. Moreover, the verified model by MD simulation has been studied to extract the free energy value and find driving forces. These calculations and molecular electrostatic potential map of ADH-1 indicated that hydrophobic and electrostatic interactions are almost equally involved in the implantation of ADH-1 in the N-cadherin binding site. The presented results not only enable a closer examination of N-cadherin in complex with ADH-1 molecule, but also are very beneficial in designing new inhibitors for N-cadherin and can help to save time and cost in this field.

Topic: Protein Structure and Dynamics
Subfield: Molecular Biology
Field: Biochemistry, Genetics and Molecular Biology
Domain: Life Sciences
Gender differences in marathon pacing and performance prediction

In this study, we demonstrate that men overestimate their marathon abilities compared to women and propose that this may result from men’s relative overconfidence as well as lead men to execute suboptimal race strategy relative to women. We present a novel dataset of marathoners’ predicted finish times from the 2013 Houston Marathon. Using the runners ex-ante predictions of their own marathon finish times, we show that men consistently overestimate their abilities relative to women. Further, we find that men slow more than women in the later stages of the race and find that less even pacing is correlated with worse marathon performance, results in-line with previous studies. Finally, we argue that this poor pacing is in part explained by men’s overconfidence.

Topic: Behavioral Health and Interventions
Subfield: Applied Psychology
Field: Psychology
Domain: Social Sciences
Supplementary Figure 5 from Antiviral and Antitumor T-cell Immunity in Patients Treated with GM-CSF–Coding Oncolytic Adenovirus

&lt;p&gt;PDF file - 141K, Example of progressive inflammation in serial treatment.&lt;/p&gt;

Topic: Virus-based gene therapy research
Subfield: Genetics
Field: Biochemistry, Genetics and Molecular Biology
Domain: Life Sciences
Local Rectal Tumor Resection Results: Gasless, Video‐endoscopic Transanal Excision versus the Conventional Posterior Approach

Abstract This study compares surgical outcomes for local resection of rectal tumors by two approaches: (1) gasless, video‐endoscopic transanal‐rectal tumor excision (gasless VTEM); and (2) a conventional posterior approach. Gasless VTEM involves a modification of transanal endoscopic microsurgery (TEM) that incorporates a standard laparoscopic video camera without a CO 2 insufflation system. A series of 42 patients with 45 rectal tumors (9 adenomas, 36 adenocarcinomas) who underwent gasless VTEM between 1993 and 2000 were studied prospectively. The control group consisted of 26 similar patients who underwent conventional surgery (transsacral or transsphincteric approach) between 1985 and 1993. Age, gender ratio, tumor localization, maximum tumor diameter, and histology for the cases and the controls were similar, whereas operating time and blood loss were significantly greater in the control group ( p &lt; 0.001 and p &lt; 0.001, respectively). The postoperative intervals until able to walk, urinary catheter removal, solid food intake, and discharge from hospital were significantly shorter in the gasless VTEM group ( p &lt; 0.001, p = 0.002, p &lt; 0.001, and p &lt; 0.001, respectively); analgesic requirements were significantly less ( p &lt; 0.001). There was no operative mortality in either group. Postoperative complications developed significantly less frequently in the gasless VTEM group than in the control group (7.1% vs. 38.5%; p = 0.003). During the median follow‐up length of 73.3 months, no patient developed tumor recurrence in the gasless VTEM group, whereas one patient did in the control group. In conclusion, gasless VTEM is less invasive and allows shorter hospitalizations and reduced complications than the conventional posterior approach, thereby providing an attractive alternative for selected patients.

Topic: Colorectal Cancer Surgical Treatments
Subfield: Oncology
Field: Medicine
Domain: Health Sciences
Environmental Problems and the Behavioral and Policy Dimensions of Agricultural Production Systems

The interactions between agriculture and the environment have emerged as important factors linking the concerns of the agriculturist, the economist, and the systems analyst. Recognition of their importance has led to the establishment of a task at IIASA to study the environmental problems of agriculture. During the first year of this task, it has looked at environmental problems at the field level and at the regional and national levels. In addition, it has attempted to provide a framework which can allow the insights made at one level to become meaningful at the others as well. &#13;\n&#13;\nThis paper presents an overview of ways in which views that normally characterize field-oriented or national-oriented studies of environment and agriculture can be joined in the context of a systems analysis of agricultural production systems. It presents a detailed picture of the phenomena comprising agricultural production and related systems, concentrating on the interactions among these phenomena. It summarized these interactions in a series of three cross-impact or contingency matrices which can be used as the basis for a detailed analysis of specific systems.

Topic: Agricultural Innovations and Practices
Subfield: General Agricultural and Biological Sciences
Field: Agricultural and Biological Sciences
Domain: Life Sciences
Medical education during the COVID-19 pandemic: problems and solutions

Modern education, including medical, is currently experiencing unprecedented difficulties caused by the growing incidence of new coronavirus infection. The difficulties are primarily due to the fact that most educational institutions in Ukraine and around the world have switched to remote operation. Thus, educational organizations, and especially teachers, face an unfamiliar situation, and many do not know how to support students in these new conditions or to adhere to the curriculum and train students for coming exams. The situation is complicated by the fact that the peak incidence coincided with the end of the school year, the most difficult period for both universities and students and clinical residents. Many of them have graduated and have taken qualification exams, procedures of primary and primary-specialized accreditation. How in the current situation to continue teaching students effectively? How to help them develop new skills? How to apply the assessment and in what form? Is it possible to conduct examinations in the format of an objective structured clinical examination (OSCE)? How will medical education change after the restrictions are strengthened? These and other topical issues are covered by the authors in this review, based on the experience of foreign colleagues and their research.

Topic: Medical and Biological Sciences
Subfield: Anatomy
Field: Medicine
Domain: Health Sciences
Deer mouse hemoglobin exhibits a lowered oxygen affinity owing to mobility of the E helix. Corrigendum

In the article by Inoguchi et al. (2013) the affiliation for two of the authors, Angela Fago and Roy E. Weber, was given incorrectly. The correct affiliation is Zoophysiology, Department of Bioscience, Aarhus University, Aarhus, Denmark.

Topic: Hemoglobin structure and function
Subfield: Cell Biology
Field: Biochemistry, Genetics and Molecular Biology
Domain: Life Sciences
The Topics of Depression on Social Networking Sites

While depressive linguistic expressions have been extensively studied in traditional clinical contexts, there has been comparatively little attention devoted to modeling how both depressed and non-depressed individuals express their symptoms on social networking sites as a holistic thematic process. This study addresses this gap by examining how depression is expressed linguistically on social networking sites using various topic modeling techniques, including an innovative methodology based on LLMs. We use datasets in the Brazilian Portuguese language gathered from Instagram, Reddit, and X. Our evaluation reveals that while common themes related to depression emerge across different social networking sites, each platform's unique characteristics influence the thematic content. Reddit discussions focus on symptomatology, Instagram on travel and positive emotions, and Twitter on everyday life and media. The LLM-based approach produced more interpretable topics with a higher embedding-based coherence metric, whereas traditional methods often resulted in noisy and less internally coherent topics. This research contributes to a deeper understanding of the holistic online expressions of depression and highlights the potential of advanced topic modeling techniques to reveal subtle aspects of mental health discussions online.

Topic: Mental Health via Writing
Subfield: Social Psychology
Field: Psychology
Domain: Social Sciences
Use of GIS in Selecting Suitable Tree Crop Cultivation Sites in Mountainous Less Favoured Areas: An Example from Greece

The aim of this paper is the selection of suitable tree crop cultivation sites in mountainous less favoured areas, as a forest policy measure under the scope of sustainable development. Ten different crop types were proposed as being most suitable in the study area, Pierion Municipal Unit, which is located in the Municipality of Katerini, in the Pieria Prefecture of Greece. In order to determine the most suitable sites for cultivation, data layers that involved the factors of topography, climate, pedology and geology were derived from existing maps and free-of-charge datasets, so that they could be consequently processed with the aid of Geographic Information Systems (GIS). The data processing was performed by following criteria, which were established in accordance with the current literature and were translated into Boolean algebra expressions. The latter helped to identify locations where the values of the factors that were employed were most favourable for the cultivation of walnut trees (Juglans sp.), olive trees (Olea sp.), cherry trees (Prunus sp.), apple (Malus sp.), dogwood trees (Cornus sp.), pomegranate trees (Punica sp.), chestnut trees (Castanea sp.) and other crop types. Moreover, the resulting map indicated that the majority of the suitable sites for cultivation were considered favourable for growing walnut trees (24.9%), followed by cherry trees (19.6%) and olive trees (12.1%). Proposing the most suitable cultivations within the study area contributes to forest policy planning and promotes the sustainable development of mountainous less favoured areas, leading to a more rational management of natural resources, a raised awareness of environmental protection, the maintenance of the local population and income enhancement through the production of high quality crops and sustainable yields.

Topic: Agroforestry and silvopastoral systems
Subfield: Forestry
Field: Agricultural and Biological Sciences
Domain: Life Sciences
Analysis on the Influencing Factors of Digital Economy Development in Chinese Cities

With the improvement of China's digital economy, how to drive the further development of digital economy has aroused the thinking of policy makers. The paper studies the factors spurring the digital economy in Chinese cities, based on a sample of 100 cities in 2018 and 113 cities in 2019. The results show that urban innovation ability and economic development level are the main factors affecting the development of urban digital economy. Human capital, road density, per capita GDP, government investment in scientific research has an impact on the development of urban digital economy through urban innovation ability. The digital economy has become a new driving force for China's economic development.

Topic: Energy, Environment, Economic Growth
Subfield: Economics and Econometrics
Field: Economics, Econometrics and Finance
Domain: Social Sciences
PELAYANAN PUBLIK BAGI PEMENUHAN HAK-HAK DISABILITAS DI KOTA YOGYAKARTA

This research aims to analyze public policy and service implemented to people with disability. This research is important and interesting because of lack of government’s attention in fulfilling the rights of people with disability.This qualitative descriptive research shows that Yogyakarta City Government has made serious effort to give friendly public service to people with disability. Education Office has launched inclusive education program to give them opportunity to access equal and indiscriminative education. Furthermore, the presence of Blind Corner in Arpusda shows City Government’s effort to equalize them. In term of health, there is Jamkesmas special for people with disability, even though in its practice it is still rarely used by the group. In term of social, Social, Labor, and Transmigration Office has given some aids and capital mentoring every month to families with disability and employed them. The presence of Transjogja and special vehicle for them is effort to equalize them in society. However, programs to make friendly service have not been optimum because of the obstacles in its implementation. Human resource barrier, budget and people’s stigma toward people with disability make fair public service implementation is less effective. Keywords: public service, disability, Yogyakarta City.

Topic: Local Governance and Development
Subfield: Geography, Planning and Development
Field: Social Sciences
Domain: Social Sciences
Socio-cultural influences on Chinese women&amp;#039;s attendance for cervical screening

BACKGROUND - Compared with other countries, Hong Kong has a relatively high rate of cervical cancer. Much of this morbidity should he avoidable with cervical screening, but uptake rates for screening in Hong Kong are low. In programmes to promote cervical screening attendance, it is essential that aspects of the socio-cultural system be taken into account to provide appropriate preventive health strategies. AIM - This paper outlines an investigation of the cultural and social factors contributing to Chinese women&amp;#039;s attendance for cervical screening. Method. A mixed methods design was employed, combining and comparing two data sets. The initial data set was drawn from 10 focus groups involving both screened and unscreened Chinese women (n = 54). The second data set was drawn from a total population of Hong Kong doctors, and involved face-to-face semi-structured interviews (n = 28). RESULTS - Thematic analysis of the data from women indicated that the social factors of cost, educational base, knowledge of risk, the social value of early detection and cultural issues such as modesty and embarrassment contributed to screening attendance. The doctors perceived a cultural tendency towards fatalism, as well as seeing the gender, interpersonal and interprofessional skills of the practitioner to be important in influencing levels of Chinese women&amp;#039;s shyness and discomfort, and hence affecting attendance. The lay and practitioner data sets varied in the perceptions of women&amp;#039;s pain, embarrassment and risk factors. CONCLUSION - Programmes providing services for Chinese women need to ensure that the philosophy of the staff and the approach and materials used are culturally relevant. Recommendations are that nurses equipped with relevant social and cultural knowledge of population groups should have a central role in health promotion and screening services.

Topic: Cervical Cancer and HPV Research
Subfield: Epidemiology
Field: Medicine
Domain: Health Sciences
Investigating the anti-inflammatory potential of <i>N</i> -amidic acid organoselenium candidates: biological assessments, molecular docking, and molecular dynamics simulations

N -Amidic acid organoselenium candidates as anti-inflammatory agents.

Topic: Organoselenium and organotellurium chemistry
Subfield: Toxicology
Field: Pharmacology, Toxicology and Pharmaceutics
Domain: Life Sciences
Long‐term Cardiovascular Outcomes in Patients With Chronic Kidney Disease Undergoing Coronary Artery Bypass Graft Surgery for Acute Coronary Syndromes

Background Patients with chronic kidney disease have an increased risk of death after myocardial infarction, coronary artery bypass graft surgery ( CABG ), and percutaneous coronary intervention. We sought to describe the association between chronic kidney disease and long‐term cardiovascular outcomes and death in patients who underwent CABG for acute coronary syndromes. Methods and Results All patients (N=12 956) from the Swedish Web System for Enhancement and Development of Evidence‐Based Care in Heart Disease Evaluated According to Recommended Therapies (SWEDEHEART) registry who underwent CABG for acute coronary syndromes in Sweden between 2000 and 2008 with complete information on preoperative serum creatinine values were included. Estimated glomerular filtration rates ( eGFRs ) were obtained, and hazard ratios with 95% CIs were calculated for the composite end point of myocardial infarction, heart failure, stroke, or death in relation to eGFR . During a mean follow‐up of 3.5 years, there were in total 2844 (22%) cardiovascular events and 1340 (10%) deaths. In patients with eGFR &gt;60 mL/min per 1.73 m 2 , 45 to 60 mL/min per 1.73 m 2 , and 15 to 45 mL/min per 1.73 m 2 , there were 2896 (28%), 882 (43%), and 407 (61%) cardiovascular events or deaths, respectively. Hazard ratios with 95% CIs for death or any cardiovascular event in patients with eGFR 45 to 60 mL/min per 1.73 m 2 , and 15 to 45 mL/min per 1.73 m 2 were 1.07 (0.98 to 1.15) and 1.36 (1.22 to 1.53) respectively, after multivariable adjustment. The corresponding figures for any cardiovascular event were 1.08 (0.98 to 1.19), and 1.24 (1.08 to 1.43). Conclusions Severe, but not moderate, renal dysfunction was independently associated with an increased risk of long‐term cardiovascular events and death in patients undergoing CABG for acute coronary syndromes.

Topic: Chronic Kidney Disease and Diabetes
Subfield: Nephrology
Field: Medicine
Domain: Health Sciences
Enhancement of leucaena leucocephala tissue regeneration and Agrobacterium-mediated transformation

Leucaena leucocephala, (leucaena) is a fast-growing leguminous tree with many positive applications, ranging from biofuel/biomass to animal fodder. This research aims to improve digestibility of leucaena by reducing the concentration of the toxic amino acid mimosine. The approach to accomplish this was transformation of leucaena with isolated genes from Rhizobium sp. strain TAL1145 that are involved in degradation of 3-hydroxy 4 pyridone, which is a precursor of mimosine biosynthesis. The main focus of this work was to improve the existing transformation protocols by overcoming problems with tissue regeneration and DNA transfer, which have been the limiting factors in replicating previous work. Our experimental trials indicated three key limiting factors: (i) production of phenolic exudates by explants, which deter tissue growth, (ii) accumulation of necrotic material at explant cut surface, and (iii) inefficient rooting as a hindrance for regeneration. We hypothesized that overcoming these three specific barriers would improve tissue regeneration and genetic transformation significantly. Reduced production of phenolic exudates was accomplished by introducing 0.8-1.0% activated charcoal to adsorb the phenolics released into the growth media. Introduction of a cell recovery phase and supplementation of the medium with activated charcoal prevented development of necrotic cell material. Proper root induction was achieved through two means: (i) elongation media development: which enabled explants to elongate shoots prior to root induction; and (ii) activated charcoal was utilized as a darkening media agent for improved root induction. Our results thus far have established that prevention of necrotic cell death coupled with timely induction of a healthy root system through darkened media, improves both tissue regeneration and transformation frequency of leucaena. PCR analysis has shown the presence of the transgenes in 16 individuals. These explants originated from four independent Agrobacterium-mediated transformation experiments. This research contributes towards the development of mimosine-free leucaena and also the improvement of transformation protocols for woody legumes.

Topic: Plant tissue culture and regeneration
Subfield: Molecular Biology
Field: Biochemistry, Genetics and Molecular Biology
Domain: Life Sciences
Knowledge and power: the role of the Big Four in the competitive disharmonization of global corporate tax avoidance regulations

The Big Four professional services firms - PwC, Deloitte, KPMG and EY - are MNCs that exist to promote, sanction, and regularise the behaviour and practices of other MNCs. They act as reputational intermediaries that embody and enact informal industry norms and practices, and in so doing they potentially govern both other MNCs and governments. Sometimes they even seek to govern on behalf of them. Whether advising or acting as private governors, their services are neither purely technical nor neutral because as they serve the interests of MNCs, they also construct and enhance their legitimacy and discursive power. This chapter looks at their role in both facilitating, and discursively defending, global corporate tax avoidance, a major issue in recent years as MNCs use their ability to operate across multiple jurisdictions to take advantage of opportunities to reduce or eliminate their taxation obligations.

Topic: Corporate Taxation and Avoidance
Subfield: Accounting
Field: Business, Management and Accounting
Domain: Social Sciences