Miracle-dz/UniFAR-FTUs huggingface dataset:
Stereoselective recognition of morphine enantiomers by μ-opioid receptor

ABSTRACT Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor (MOR) exhibits binding affinity towards (−)-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the (+)-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of (−)-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast, (+)-morphine fails to sustain the activation state of MOR. Furthermore, the results suggest that specific residues, namely D1142.50 and D1473.32, are deprotonated in the active state of MOR bound to (−)-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.
Successful inguinal interstitial brachytherapy in metastatic cervical carcinoma: a case report

Background Treatment of metastatic cervical cancer is a tricky issue. Currently, the National Comprehensive Cancer Network (NCCN) guideline recommends chemotherapy combined with bevacizumab for recurrent or metastatic cervical cancer. Still, the recurrence rate is high and the survival rate is low after standard treatment. We urgently need to achieve a multimodal therapy approach for recurrent or metastatic cervical cancer. Case description We report the case of a patient with stage IB2 cervical squamous carcinoma who developed multiple metastases within a short term after receiving first-line standard treatment, and she underwent interstitial brachytherapy after systemic therapy with an encouraging outcome. The patient developed suspected inguinal lymph node metastases after 9 months at the end of first-line therapy and multiple metastases in the inguinal lymph nodes, anterior abdominal wall, and right lung after 17 months. As the patient had residual inguinal lymph nodes after systemic therapy, she received 3D-printed template-guided interstitial brachytherapy to the inguinal lymph nodes and maintenance therapy. By Sep 2023, she had achieved a good treatment outcome with a progression-free survival (PFS) of 36 months. Conclusion Based on our patient response, when multiple metastases develop in the short term in early-stage cervical squamous carcinoma after first-line therapy, we may consider implementing local therapy combined with systemic therapy.
Research Article Research on Western Agricultura's Modernization and Industrial Integration based on Characteristics of Agricultural Development

Regional economic development depends on the support of external environment and natural resources. Because of the influence of innate natural environment, China's western region dual economic structure features are more prominent than the east which is mainly in the plains and its economy is relatively developed. Strengthening agriculture and rural development in West and in the transformation of traditional agriculture, increasing agricultural productivity, while transform modernization of agriculture through various ways in western China is an important way to a dual economy economic structure transformation. This study through the contrast between the western and eastern region dual economic structure, points out that the duality of the economic structure in west is better than the present situation of the east; On the basis of this, discuss the western agricultural regional resource advantage and the way of agricultural modernization, propose related countermeasures and suggestions of western agricultural modernization and western rural industrial integration which established on the basis of development of western characteristic agricultural.
Composition and Surface Optical Properties of GaSe:Eu Crystals before and after Heat Treatment

This work studies the technological preparation conditions, morphology, structural characteristics and elemental composition, and optical and photoluminescent properties of GaSe single crystals and Eu-doped β–Ga2O3 nanoformations on ε–GaSe:Eu single crystal substrate, obtained by heat treatment at 750–900 °C, with a duration from 30 min to 12 h, in water vapor-enriched atmosphere, of GaSe plates doped with 0.02–3.00 at. % Eu. The defects on the (0001) surface of GaSe:Eu plates serve as nucleation centers of β–Ga2O3:Eu crystallites. For 0.02 at. % Eu doping, the fundamental absorption edge of GaSe:Eu crystals at room temperature is formed by n = 1 direct excitons, while at 3.00 at. % doping, Eu completely shields the electron–hole bonds. The band gap of nanostructured β–Ga2O3:Eu layer, determined from diffuse reflectance spectra, depends on the dopant concentration and ranges from 4.64 eV to 4.87 eV, for 3.00 and 0.05 at. % doping, respectively. At 0.02 at. % doping level, the PL spectrum of ε–GaSe:Eu single crystals consists of the n = 1 exciton band, together with the impurity band with a maximum intensity at 800 nm. Fabry–Perrot cavities with a width of 9.3 μm are formed in these single crystals, which determine the interference structure of the impurity PL band. At 1.00–3.00 at. % Eu concentrations, the PL spectra of GaSe:Eu single crystals and β–Ga2O3:Eu nanowire/nanolamellae layers are determined by electronic transitions of Eu2+ and Eu3+ ions.
Evolvable Hardware Based Optimal Position Control of Quadcopter

Trading off performance metrics in control design for position tracking is unavoidable. This has severe consequences in mission-critical systems such as quadcopter applications. The controller area and propulsion energy are conflicting design parameters, whereas the reliability and tracking speed are related metrics to be optimized. In this research, a switching-based position controller was co-simulated with the quadcopter model. Performance analysis of the Field Programmable Gate Array (FPGA)-based controller validates a better scheme for tracking speed, propulsion energy, and reliability optimization under similar error performance. To improve the computation power and controller area, the dynamic partial reconfiguration(DPR) approach has been adapted and implemented on FPGA using the Vivado Integrated Development Environment (IDE), where a ranking-based approach brings into action either proportional derivative, sliding mode, or model predictive controllers for each dimension of position tracking. It is verified by analyzing the cumulative tracking speed, reliability, controller area, and propulsion energy metrics that the proposed controller can optimize all these metrics within three successive iterations of tracking either in the same direction or in any combination of directions. Concerning the implementation results of the controller with the switching-based controller, there is 6 % computation power and 30 % resource savings due to DPR .
A Study of Older Adults’ Satisfaction with Chat Assistant

With the rapid development of artificial intelligence technology, intelligent question and answer systems such as Chat Assistant are increasingly used in daily life. However, as a special category of user group, the cognitive fitness and satisfaction assessment of elderly people to such intelligent systems have not been sufficiently studied yet. The purpose of this study is to explore the cognitive fitness and satisfaction of older adults with Chat Assistant Q&A results, in order to provide a basis for improving the design of these systems and enhancing the user experience of older adults. To this end, this paper provides an in-depth study of older adults’ use of technology by designing and distributing a questionnaire. Analytical methods such as the ACSI indicator model and Structural Equation Modeling (SEM) were used to explore the relationship between satisfaction and various factors, thereby providing valuable guidance to help improve and optimize the Chat Assistant system.
Innovation, infocommunication and digital transformation in sport policing and certain aspects of sports

Sport has become a fundamental socio-economic area. Currently, technological progress plays one of the most important roles in the development of sport. In the twenty-first century, innovation, and technology are significantly shaping the world of law enforcement and sports policing, and huge changes are taking place that need to be responded to. The development, spread and completion of info communication, information technology, digital technologies, and digitalization itself at an ever-faster pace than ever before are fundamentally changing all areas of the economy and society. Today there is no question that digitalization is the engine of the economy, which has an impact in all sectors, including sports and law enforcement. In the study, the authors examine the possibility of technical development in the field of sports safety. Among other things, drones, facial recognition systems and predictive analytics will be examined. The methodology used is mainly based on the analysis and examination of previous methods. The authors propose to adapt the innovative tools used at previous sports and mass events in the field of sports safety.
Modélisation numérique discrète de l'érosion interne par renard hydraulique dans les barrages ou digues en terre

Le travail presente dans ce memoire de these porte sur la modelisation discrete de l’evolution regressive du front d’un conduit d’erosion qui peut se produire dans les barrages ou digues en remblai. Des outils numeriques ont ete developpes en se basant sur le couplage entre la methode des elements discrets (DEM) et la methode de Boltzmann sur reseau (LBM) pour la description, respectivement, des phases solide et fluide. L’implementation de la methode DEM suit une approche standard de type dynamique moleculaire (DM) et les interactions intergranulaires sont modelisees par des contacts unilateraux visco-elastiques frottants ou bilateraux (ponts solides) viscoelastiques, afin de permettre la modelisation d’un sol legerement cohesif. La methode LBM est implementee ici avec des temps de relaxation multiples (MRT) et une condition de rebondissement interpolee pour les frontieres solides en mouvement, afin d’ameliorer la stabilite numerique des calculs. Le schema du couplage entre les deux methodes, ainsi que les criteres pour le choix des parametres numeriques des deux methodes. Pour etudier le phenomene vise, un echantillon representatif de sol granulaire situe au front d’un conduit d’erosion est d’abord assemble par une procedure de preparation “a sec”, puis teste dans des conditions saturees sous un chargement hydraulique monotone croissant. L’erosion regressive se produit par amas de grains au niveau du front d’erosion ayant subi au prealable une degradation due a de nombreuses ruptures de ponts solides en traction. L’autre phenomene important observe est la presence d’arcs associes a` des chaines de forces en compression qui parviennent a maintenir parfois totalement, parfois partiellement l’integrite du materiau non erode.
Targeting the Metabolic Paradigms in Cancer and Diabetes

Dysregulated metabolic dynamics are evident in both cancer and diabetes, with metabolic alterations representing a facet of the myriad changes observed in these conditions. This review delves into the commonalities in metabolism between cancer and type 2 diabetes (T2D), focusing specifically on the contrasting roles of oxidative phosphorylation (OXPHOS) and glycolysis as primary energy-generating pathways within cells. Building on earlier research, we explore how a shift towards one pathway over the other serves as a foundational aspect in the development of cancer and T2D. Unlike previous reviews, we posit that this shift may occur in seemingly opposing yet complementary directions, akin to the Yin and Yang concept. These metabolic fluctuations reveal an intricate network of underlying defective signaling pathways, orchestrating the pathogenesis and progression of each disease. The Warburg phenomenon, characterized by the prevalence of aerobic glycolysis over minimal to no OXPHOS, emerges as the predominant metabolic phenotype in cancer. Conversely, in T2D, the prevailing metabolic paradigm has traditionally been perceived in terms of discrete irregularities rather than an OXPHOS-to-glycolysis shift. Throughout T2D pathogenesis, OXPHOS remains consistently heightened due to chronic hyperglycemia or hyperinsulinemia. In advanced insulin resistance and T2D, the metabolic landscape becomes more complex, featuring differential tissue-specific alterations that affect OXPHOS. Recent findings suggest that addressing the metabolic imbalance in both cancer and diabetes could offer an effective treatment strategy. Numerous pharmaceutical and nutritional modalities exhibiting therapeutic effects in both conditions ultimately modulate the OXPHOS–glycolysis axis. Noteworthy nutritional adjuncts, such as alpha-lipoic acid, flavonoids, and glutamine, demonstrate the ability to reprogram metabolism, exerting anti-tumor and anti-diabetic effects. Similarly, pharmacological agents like metformin exhibit therapeutic efficacy in both T2D and cancer. This review discusses the molecular mechanisms underlying these metabolic shifts and explores promising therapeutic strategies aimed at reversing the metabolic imbalance in both disease scenarios.
Association between inflammatory bowel disease and Parkinson’s disease: a prospective cohort study of 468,556 UK biobank participants

Introduction Inflammatory Bowel Disease (IBD) and Parkinson’s disease (PD) are both chronic, progressive disorders. As such, given the inconclusive results of extensive research on the association between IBD and PD, our study intends to examine this relationship further using the UK Biobank database. Methods We conducted a prospective cohort study using the Cox proportional hazards model, analyzing data from the UK Biobank to investigate the relationship between IBD and PD, following subjects until PD diagnosis, loss to follow up, death or study termination on 30 June, 2023. Results The results show that IBD had no effect on the risk of PD (HR: 1.356, 95% CI: 0.941–1.955, p = 0.103), and the effect remained consistent in specific Crohn’s disease, ulcerative colitis or unclassified IBD populations. In addition, after sensitivity analysis using propensity matching scores and excluding patients diagnosed with PD 5 or 10 years after baseline, IBD had no effect on the risk of PD. However, in the subgroup analysis, we found that in females (HR: 1.989, 95% CI: 1.032–3.835, p = 0.040), the polygenic risk score was highest (HR: 2.476, 95% CI: 1.401–4.374, p = 0.002), and having ulcerative colitis without hypertension (HR: 2.042, 95% CI: 1.128–3.697, p = 0.018) was associated with an increased risk of PD. Conclusion In conclusion, over an average follow-up period of 13.93 years, we found no significant association between IBD and PD.
A maximum likelihood bunching estimator of the elasticity of taxable income

This paper develops a maximum likelihood (ML) bunching estimator of the elasticity of taxable income (ETI). Our structural approach provides a natural framework to simultaneously account for unobserved preference heterogeneity and optimization errors and for measuring their relative importance. We characterize the conditions under which the parameters of the model are identified and show that the ML estimator performs well in terms of bias and precision. The paper also contains an empirical application using Swedish data, showing that both the ETI and the standard deviation of the optimization friction are precisely estimated, albeit relatively small.
Kokoda Muslim Community Empowerment: A Social Intervention in Sorong City, West Papua

Muslims in Kokoda have a reputation for being economically disadvantaged and technologically illiterate. Despite the fact that they are well-known to possess advantageous cultural assets and natural resources that can be utilized to enhance their standard of living. Consequently, the Kokoda Muslim community in Sorong City, West Papua, will be the focus of this research as it examines the theoretical tactics and concepts of empowerment-based social intervention. In order to help people live better and be more self-reliant, this course will explain social intervention and community empowerment in general and then propose theoretical solutions for interventions that are based on empowerment. A theoretical technique of empowerment-based social intervention, R-O-N (Resources, Organizing and Norms), was discovered as a result of this research.
Inflammatory Response Markers as Predictors of Colorectal Cancer Prognosis

Colorectal cancer (CRC) is a globally prevalent and challenging malignancy. Accurate prognosis prediction is essential for optimizing patient care. This comprehensive review discusses the intricate relationships between inflammatory response markers and CRC prognosis. Inflammatory response markers have gained prominence as a prognostic tool. Elevations in the preoperative neutrophil-lymphocyte ratio, platelet-lymphocyte ratio, and C-reactive protein-albumin ratio predict a poor prognosis for patients with CRC. A decreased lymphocyte-monocyte ratio is also a poor prognostic factor. A high Glasgow prognostic score and a high modified Glasgow prognostic score are associated with adverse outcomes, including reduced survival. While significant progress has been made, challenges remain in standardizing the clinical application of these inflammatory response markers. Prospective research and further investigations are warranted to refine the prognostic models. Enhanced understanding and utilization of these inflammatory response markers will help advance personalized treatment strategies, refine surveillance protocols, and improve the management of CRC.
Reconciling the Mountain Biodiversity Conservation and Human Wellbeing: Drivers of Biodiversity Loss and New Approaches in the Hindu- Kush Himalayas

Mountains have long been admired and protected on the grounds of their wilderness,character and landscape beauty. But despite their remoteness and low human population density, many mountain ecosystems are strongly affected by drivers of global change. Mountain ecosystems in the tropical and sub-tropical regions have attracted the attention of a number of scientists, policy makers and natural resource managers because of their critical role in the supply of ecosystem services, and their vulnerability to environmental changes induced by anthropogenic and climatic factors. Adapting to and mitigating the effects of environmental change and sustaining ecosystem services in the context of a burgeoning human population is a major challenge.The Convention on Biological Diversity, Millennium Development Goals, and other international agreements explicitly connect conservation to poverty alleviation. It has become clear that nature conservation only works in practice if people’s needs are also taken into account; while conservation efforts based on community participation and ownership tend to be more effective. A concerted effort is needed to develop a better scientific understanding of ecosystem structure and functioning and drivers of change as a basis for formulating comprehensive ecosystem management approaches and strategies that link to human wellbeing and poverty alleviation. This paper reviews the state of knowledge on five principle pressures, driving biodiversity loss in the HKH region, and describes evolving processes that highlight reconciliation of the conservation and development perspectives.
Controlled Atmosphere Storage of Grain

Controlled atmospheres (CA) are used as periodic treatments to control pests (insects and mites) in stored grain or, less frequently, as long-term storage environments to prevent pest occurrence (insects, mites, and molds) or spontaneous combustion, as in poppy seeds that must be stored in nitrogen gas (Mills, 1989). The CAs contain either high levels of carbon dioxide (CO2), or high levels of nitrogen (N2), with virtual elimination of oxygen (O2). Grain in bulk storage is an immature ecosystem (Sinha, 1995) consisting of the living grain itself, numerous species of insects, mites, and molds, both on and in the seed. The nonliving part of the system includes humidity and grain moisture, temperature, and intergranular gases. When the grain is warm ( 25° C) or becomes moist, owing to bin leakage or to moisture migration by convection currents, the biological organisms begin to respire. Oxygen is consumed and heat, moisture, and carbon dioxide are produced. Canada has a legally defined zero-tolerance for insect pests in stored grain; hence, they must be controlled whenever detected. Dozens of insects are found in stored grain (Sinha and Watters, 1985) in low numbers, and many are fungus feeders that do not directly feed on the grain (White et al., 1995a). The most common grain-feeding insects in western Canada are the rusty grain beetle, Cryptolestes ferrugineus (Stephens) and the red flour beetle, Tribolium castaneum (Herbst), often being detected in up to 46% of farm granaries (Madrid et al., 1990). The whole-seed feeders—the rice weevil Sitophilus oryzae
Impulsivity in migraine and in medication overuse headache: A literature review

IntroductionPsychiatric symptoms and analgesic overuse may contribute to migraine chronification. Impulsivity is a common symptom in several psychiatric disorders that can potentiate substance overuse, including analgesics. Dopamine has been associated with migraine pathophysiology and impulsivity.ObjectiveThis review aims to assess the current knowledge about the potential association between migraine and impulsivity.MethodsPubMed and LILACS were queried using relevant descriptors related to migraine and impulsivity.ResultsFive articles were selected; however, none revealed a significant correlation between migraine and impulsivity. This lack of correlation was verified in different migraine subtypes (with or without aura, chronic, or episodic). ConclusionThe heterogeneity in patient grouping and diverse impulsivity assessment tools of the studies precluded definitive conclusions. The Barratt Impulsivity Scale (BIS-11) was the most frequently used tool. Given the paucity of data and the potential impact on migraine management, further studies are crucial to elucidate the potential association between migraine and impulsivity.