Miracle-dz/UniFAR-FTUs huggingface dataset:
Computer-guided binding mode identification and affinity improvement of an LRR protein binder without structure determination

Precise binding mode identification and subsequent affinity improvement without structure determination remain a challenge in the development of therapeutic proteins. However, relevant experimental techniques are generally quite costly, and purely computational methods have been unreliable. Here, we show that integrated computational and experimental epitope localization followed by full-atom energy minimization can yield an accurate complex model structure which ultimately enables effective affinity improvement and redesign of binding specificity. As proof-of-concept, we used a leucine-rich repeat (LRR) protein binder, called a repebody (Rb), that specifically recognizes human IgG1 (hIgG1). We performed computationally-guided identification of the Rb:hIgG1 binding mode and leveraged the resulting model to reengineer the Rb so as to significantly increase its binding affinity for hIgG1 as well as redesign its specificity toward multiple IgGs from other species. Experimental structure determination verified that our Rb:hIgG1 model closely matched the co-crystal structure. Using a benchmark of other LRR protein complexes, we further demonstrated that the present approach may be broadly applicable to proteins undergoing relatively small conformational changes upon target binding. Author Summary It is quite challenging for computational methods to determine how proteins interact and to design mutations to alter their binding affinity and specificity. Despite recent advances in computational methods, however, in silico evaluation of binding energies has proven to be extremely difficult. We show that, in the case of protein-protein interactions where only small structural changes occur upon target binding, an integrated computational and experimental approach can identify a binding mode and drive reengineering efforts to improve binding affinity or specificity. Using as a model system a leucine-rich repeat (LRR) protein binder that recognizes human IgG1, our approach yielded a model of the protein complex that was very similar to the subsequently experimentally determined co-crystal structure, and enabled design of variants with significantly improved IgG1 binding affinity and with the ability to recognize IgG1 from other species.
Enhanced Self-confidence in Young Adolescents with Direct Partial Composite Veneer: A Case Series

Dental esthetic problems in young adolescents such as undesirable tooth shape, color, size and position may affect psychosocial interaction and self-confidence of a person, thus the need for dental treatment. Recent composite resin materials offer a vast range of shades that perfectly emulate natural tooth. The aim of this procedure is to improve the appearance of the teeth using direct partial composite veneer due to its minimally invasive and time efficiency characteristics.
Purinergic Signaling in Spinal Cord Injury Induced-Neurogenic Bladder: A Mini- Review Study

aResearch Center for Evidence-Based Medicine, Faculty of Medicine, Tabriz University of Medical Sciences, Tabriz, Iran. bDepartment of Urology, Comprehensive Cancer Center, Medical University of Vienna, Vienna, Austria. cDepartment of Midwifery, Faculty of Nursing and Midwifery, Tabriz University of Medical sciences, Tabriz, Iran. dPhysical medicine and rehabilitation Research Centre, Aging Research Institute, Tabriz University of Medical Sciences, Tabriz, Iran.
One health and antimicrobial resistance

In the dilemma discussed in the April issue of In Practice, Anne Fawcett described a scenario whereby you are taking part in an one health interest group, specifigcally considering antimicrobial resistance. One of your medical colleagues in the group suggests that antimicrobial use in animals should be severely restricted (IP, April 2018, vol 40, pp 126-127). You wonder how veterinarians can use antimicrobials in an ethical way?
Exploring the Learning Outcomes with Various Technologies - Proposing Design Principles for Virtual Reality Learning Environments

The study compares three virtual learning environments: VR, 3D videos and 2D videos. Following Bloom’s taxonomy of learning outcomes, we measure remembering, understanding and ability to apply. We also apply the affordance theory framework to explain the differences between these virtual learning environments. Based on the results, we propose design principles for VR learning environments. The results suggest that VR has its advantages on the apply -level, or higher, as it outperforms the other two technologies at this level. In addition, several design principles are suggested, such as customized learning, challenging learning environments, multi-sensory effects, immersion, interactivity, 3D-dimensionality, engagement as well as motivation towards the content and technology. The results highlight the importance of choosing the right technology when designing virtual learning environments. This study demonstrates how virtual environment affordances and equivalent scales can be used in making those decisions. course
ROLE OF HIGH DOSE ASPIRIN IN MODULATING HYPERLIPIDEMIA AND HYPERGLYCEMIA

This study was designed to evaluate the antidiabetic and antihyperlipidemic effects of high dose aspirin in rabbits. Healthy rabbits were made diabetic by injecting 150mg/kg body weight of Alloxan, in normal saline solution. intravenously in the marginal ear vein for seven days. The rabbits with serum glucose levels greater than 200mg/dl were considered as diabetic and used in this study. High dose aspirin (120mg/kg) p.o. showed maximum decrease in serum triglyceride level (42.07%), serum total cholesterol level (19.36%), and serum LDL level (6.18%). Glibenclamide showed decrease in fasting blood glucose level 56.31% as compared to high dose aspirin (23.91%). In the light of these results, it is suggested that such study should be carried out in human beings to make use of agents having S inhibitory activity of kappa Kinase Beta (IKKs) pathway, which will provide a novel approach for treatment of diabetes- associated hyperlipidaemia.
Income and Food-Consumption Behaviour in China: A Structural - Shift Analysis

The nutrition transition in China has proceeded to the extent that the food -consumption behaviour of low-income and high-income groups is different. Failure to consider these differences could lead to inappropriate assumptions about some basic food policy issues. This analysis was undertaken using a sample of adults 1850 years old from the 1991 China Health and Nutrition Survey. Low-income families have a greater propensity to increase or decrease fat and calorie intakes than high-income families. This difference has important, policy implications and shows why it should be considered in making decisions regarding consumption behaviour. Selecting the appropriate income switching or cut-off point is central to capturing this structural difference.
Crioterapia como fator interveniente na dor muscular de início tardio Cryotherapy as an intervening factor in delayed onset muscle soreness

Este trabalho teve como objetivo investigar, em individuos sedentarios, a interferencia do uso da crioterapia na dor muscular de inicio tardio. Para tanto, a amostra foi composta por 20 individuos, sedentarios, divididos em dois grupos: controle (GCO), apenas exercicios; e crioterapia (GCR) exercicios e posterior crioterapia, por 20 minutos, na regiao de gastrocnemios mediais. O exercicio foi constituido por cinco series, de vinte repeticoes cada, de planti/dorsiflexao exercitando o grupo triceps sural. Ambos os grupos foram avaliados antes do exercicio (AV1) e reavaliados apos 24 (AV2), 48 (AV3) e 72 (AV4) horas apos o exercicio, quanto ao seu grau de dor utilizando-se a escala analogica de dor (EVA) e um dolorimetro de pressao. Observou-se pela EVA reducao do quadro algico em AV4, ao comparar com AV2 e AV3, apenas para o grupo tratado. Na avaliacao do limiar de pressao, observaram-se diferencas entre os grupos, em AV3 e AV4, tendo o grupo tratado maior limiar. Conclui-se que a crioterapia se mostrou eficaz na melhora da sensacao de dor de inicio tardio em individuos sedentarios. Palavras-chave: medicao da dor, crioterapia, modalidades de fisioterapia.
WiFi and Vision-Integrated Fingerprint for Smartphone-Based Self-Localization in Public Indoor Scenes

Smartphone-based indoor localization systems are increasingly needed in various types of applications. This article proposes a novel WiFi and vision-integrated fingerprint (Wi-Vi fingerprint) for accurate and robust indoor localization. The method consists of two steps of fingerprint mapping and fingerprint localization. In the mapping step, the Wi-Vi fingerprints for all the sampling sites are computed by using EXIT signs as landmarks. In the localization step, a multiscale localization strategy is proposed, which includes coarse localization from weighted access points (WAPs)-based WiFi matching, the Gaussian weighted KNN (GW-KNN)-based image-level localization from holistic visual features, and finally, the metric localization for refinement. The proposed method has been tested in an indoor office building of 12 000 m2 and a mega-mall of 7200 m2 with different types of smartphones. The experimental results demonstrate that the proposed method can achieve 95% and 98% site recognition rates from image-level localization. The final localization errors after metric localization are less than a half meter on average.
Modeling on Financial Revenue via Data Mining

As a new first-tier city of core force in the central region, Wuhan plays a vital role in the development of the mid-regional economy of China, which arises our rich interest about the powerful factors for rapid economic improvement. In this paper, we select 12 factors of financial revenue from 2002 to 2018, and try to find out the significant elements through the Adaptive-Lasso algorithm, then predict the future financial revenue by combining with the grey and neural network model. Real example shows the model is efficient to provide a feasible way to predict the financial market in the future.
Analysis of Hypertension Status and Its Influencing Factors in Some Areas of Hubei Province, China

Objective: To know about the current situation of hypertension in some areas of Hubei Province and analyze the influencing factors. Methods: According to the principle of Stratified sampling, we conducted health examination and questionnaire survey for 1500 residents over the age of 18 at observation point of chronic noninfectious diseases at 10 sub-districts (towns) of Wuhan City, Jingzhou City, Huanggang City, Shiyan City, which used descriptive statistics and logistics to regressively analyze Current situation of hypertension and its influencing factors of residents. Results: Prevalence of hypertension of rural and urban residents over 18 is 27.44% in Hubei province. There are many differences among prevalence of hypertension of male and female, distribution of BMI of rural and urban residents and prevalence of hypertension and so on, and it has statistical significance (P-value , education level, dieting habits (high salt and high oil), family per capita monthly income, BMI have statistical significance on the prevalence of hypertension in urban and rural residents of Hubei Province. Conclusions: The prevalence of hypertension in the residents of five cities and prefectures in Hubei Province is on the trend of rising in ladder form and at a much earlier age. The health education, monitoring and intervention of chronic diseases need to be widely carried out, with emphasis on the intervention of the residents’ eating habits of high salt and oil, smoking, drinking and other bad lifestyle.
Impacts of Climate Change on Agriculture for Local Paddy Water Requirement Irrigation Barito Kuala, South Kalimantan, Indonesia

Increasing rice consumption demand in Indonesia has provided serious problems such as food insecurity. Being the major staple food, rice production is the main priority of medium and long term development planning in Indonesia. Local rice production is strongly affected by climate conditions, especially in South Kalimantan. Nowadays, the world must adjust to climate change. One of significant effects of changing climate on agriculture is related to productivity. Evapotranspiration is the major cause of loss of water needed, for agricultural requirements. The crop requires effective irrigation system with adequate water amount. The main objective of this research is to analyze the water requirements for the irrigation units in Barito Kuala, South Kalimantan concerning local rice cultivation under the climate change scenarios. Supposed rainfall during the 2050s and 2090s are obtained from four downscaled circulated models and one model for projected temperature under CMIP5 with RCPs 8.5 scenario. Penman-Monteith method was used to calculate the evapotranspiration value. Based on future effective rainfall water requirement is estimated. The result shows the impact of climate change on the water irrigation requirement of local paddy cultivation are 56% and 25 % higher than current condition in July and September October respectively.
Scenarios for a Smart Tourism Destination Transformation

Reluctance and even resistance for the city transformation into a smart tourism destination (STD) may occur on the edge field of smart systems, even if over time, often with political changes, this resistance breaks down. This situation is occurring in Cordoba (Spain) which held the record of four inscriptions in the World Heritage Lists granted by UNESCO. The concept of smart tourism is recent. As a research domain, it is only emerging. So, few analyses and case studies were elaborated on it. This chapter shows how this reluctance is coming from stakeholders and how the transformation of Cordoba into a smart destination can be made harmoniously. Three scenarios are possible for this transformation either following actual tendencies or looking for two other paths, the green one or the intercultural one; how it could be done and its impacts on the City and the Province of Cordoba’s economy, society, culture, and environment.
Clinical Examination and Ultrasonography as Predictors of Lateral Neck Lymph Nodes Metastasis in Primary Well Differentiated Thyroid Cancer

Background: Lateral neck dissection is risky and should be performed only as a therapeutic intervention for known disease. Aim of the Study: This study aims at finding predictors which help in selecting patients who have high risk of lymph node metastasis. Methods: All the patients with well differentiated thyroid cancer underwent thyroidectomy with lateral lymph nodes (LNs) dissection with available pathology report and sufficient data have been included in the study. Results: Sixty nine patients have been included in this study. In multivariate analysis, the most reliable and significant factors for detecting L.N. involvement were the clinical picture and the U/S appearance of the Neck with P value of (0.008) and (0.001) respectively. Conclusion: Clinical and U/S examinations are the most independent and reliable factors to detect lateral neck lymph nodes involvement.
Evidence Behind 10,000 Steps Walking

A recommendation to walk 10,000 steps/day is widely promoted among populations. This study aimed to review scientific evidence of 10,000 steps walking. English language articles between years 2000-2016 were searched from online databases; MEDLINE, CINAHL, and Google Scholar. The search terms were “10000 steps walking” AND “adults”. Seventeen primary studies were reviewed. The studies supported benefits of 10,000 steps/day on body compositions, blood pressure and serum lipid levels. A 10,000 steps/day walking was considered as an alternative recommendation on physical activity for public health which comparable with 150 minutes/week of moderate-intensity physical activity. Various approaches included prize reinforcement, using a step counter (pedometer), family- and community-based interventions could increase a number of steps. Applying any interventions to achieve the recommendation should consider about accessibility, appropriate duration, and continuity of those approaches.
Extracting scientific trends by mining topics from Call for Papers

PurposeThe purpose of this paper is to present a novel approach for mining scientific trends using topics from Call for Papers (CFP). The work contributes a valuable input for researchers, academics, funding institutes and research administration departments by sharing the trends to set directions of research path.Design/methodology/approachThe authors procure an innovative CFP data set to analyse scientific evolution and prestige of conferences that set scientific trends using scientific publications indexed in DBLP. Using the Field of Research code 804 from Australian Research Council, the authors identify 146 conferences (from 2006 to 2015) into different thematic areas by matching the terms extracted from publication titles with the Association for Computing Machinery Computing Classification System. Furthermore, the authors enrich the vocabulary of terms from the WordNet dictionary and Growbag data set. To measure the significance of terms, the authors adopt the following weighting schemas: probabilistic, gram, relative, accumulative and hierarchal.FindingsThe results indicate the rise of “big data analytics” from CFP topics in the last few years. Whereas the topics related to “privacy and security” show an exponential increase, the topics related to “semantic web” show a downfall in recent years. While analysing publication output in DBLP that matches CFP indexed in ERA Core A* to C rank conference, the authors identified that A* and A tier conferences not merely set publication trends, since B or C tier conferences target similar CFP.Originality/valueOverall, the analyses presented in this research are prolific for the scientific community and research administrators to study research trends and better data management of digital libraries pertaining to the scientific literature.
Phytochemical profiles and anti-diabetic benefits of two edible Amaranthus species

ABSTRACT Phytochemical profile and activity of anti-oxidative, anti-glycative, anti-α-amylase, anti-α-glucosidase, anti-lipase and anti-acetylcholinesterase (AchE) of aqueous extracts prepared from leaf and stem parts of two edible Amaranthus species, white and red amaranths, were investigated. Phytochemical analyses showed that white amaranth had more total phenolic acids than red one. The content of total flavonoids in four examined aqueous extracts was similar. Red amaranth has greater anthocyanins and carotenoids than white one. All aqueous extracts at three concentrations were used for in vitro bio-activities experiments. Results showed that four aqueous extracts displayed radical scavenging effect, Fe2+ chelating effect, xanthine oxidase inhibition, and reducing power. Aqueous extracts prepared from red amaranth exhibited marked anti-glycative effects, anti-α-amylase, anti-α-glucosidase, anti-lipase, and anti-AchE activities. These findings suggested that these two vegetables could be developed as functional foods for diabetic prevention and/or attenuation.
Kinerja gateway berbasis XMPP untuk komunikasi perangkat IoT

Penelitian ini mengkaji kinerja gateway komunikasi untuk perangkat-perangkat IoT dengan memanfaatkan protokol XMPP agar perangkat ini dapat saling terhubung dan berkomunikasi menggunakan jaringan Internet. Perangkat IoT berupa sensor node yang diimplementasikan menggunakan NodeMCU yang terhubung dengan modul sensor DHT11 dan lampu LED sebagai simulasi bahwa ada data yang masuk. Perangkat IoT telah dapat berkomunikasi menggunakan gateway protokol XMPP dan melakukan proses request-response. Hasil pengujian kinerja gateway saat transmisi data dengan variasi ukuran dari 10-100 MB mendapatkan waktu tunda rata-rata 9,3 ms, jitter rata-rata jitter 0,00178 ms, dan throughput rata-rata 161,4 kbps. Parameter penggunaan CPU memiliki kenaikan rata-rata 12% dan penggunaan memori cenderung konstan pada saat terjadi transmisi data.
CAPACIDADE FUNCIONAL EM HOMENS HIPERTENSOS PELA DISTÂNCIA CAMINHADA E CORRELAÇÃO COM VALORES PREDITOS

INTRODUCAO: A hipertensao arterial (HA) e um dos principais fatores de risco para doencas cardiovasculares, sendo extremamente importante avaliar a capacidade funcional (CF) dos hipertensos durante atividades do cotidiano, para deteccao precoce de possiveis alteracoes, visando intervencoes mais imediatas. Uma das ferramentas mais utilizadas para esse fim e o Teste de Caminhada de Seis Minutos (TC6’), que verifica as respostas integradas de todos os sistemas envolvidos durante o exercicio. OBJETIVO: Avaliar a CF de homens hipertensos estagio I e compara-la com a de saudaveis e com equacoes preditivas. METODOS: Foram avaliados 10 homens (48,9±5,95 anos), hipertensos, sedentarios, em uso ou nao de medicacao hipertensiva pelo TC6’. Aplicou-se as equacoes preditivas de Enright e Sherrill, Troosters, Gosselink e Decramer e Enright et al. RESULTADOS: A distância media caminhada foi de 593,36±61,36 m e verificou- ISSN 0103-5150 Fisioter. Mov. , Curitiba, v. 22, n. 4, p. 557-564, out. /dez. 2009 Licenciado sob uma Licenca Creative Commons Fisioter Mov. 2009 out/dez;22(4):557-564 558 se que houve correlacao significativa com as equacoes de Enright e Sherrill (r=0,733, p=0,016) e Troosters, Gosselink e Decramer (r=0,673, p=0,033). CONCLUSAO: esses dados demonstram que a distância caminhada foi semelhante a de saudaveis e apresentou boa correlacao com valores preditos, sugerindo que a HA, em estagios iniciais, nao provoca alteracoes na CF.
Anticancer and immunostimulatory activity of the imipridone ONC201, a selective DRD2 antagonist, in advanced cancer patients.

2586Background: ONC201 is an orally active, small molecule selective antagonist of the G protein-coupled receptor DRD2 that has established a new class of compounds referred to as imipridones. A first-in-human trial of ONC201 defined its recommended phase II dose (RP2D) as 625mg using once every three week administration that was very well tolerated at doses that yielded antitumor effects. ONC201 also showed stimulatory effects on immune cells in preclinical studies, including increased intratumoral NK cell infiltration in xenografts. Based on the exceptional safety profile of ONC201, weekly dosing has been evaluated. Methods: This open-label, 3+3 dose-escalation study used a starting dose of 375mg and escalated to 625mg using a weekly administration schedule. The primary endpoint was to determine the RP2D of ONC201 and secondary endpoints included PD, PK, toxicity, and anti-tumor efficacy. Based on signs of clinical activity and preclinical tumor type sensitivity studies of ONC201, the patient population.
Weight Loss and Weight Loss Maintenance in Type 2 Diabetes

The __primary aim__ of the current thesis is: – To determine the effect of cognitive behavioral group therapy on maintaining weight during 2 years of follow-up after weight loss via a very low-calorie diet in overweight and obese adults with type 2 diabetes. The __secondary aims__ are: – To evaluate the effects of cognitive behavioral group therapy on cardiovascular risk factors and psychological wellbeing during 2 years of follow-up after weight loss via a very low-calorie diet. – To determine which individuals benefit most from a very low-calorie diet. – To determine the short-term effect of diet-induced weight loss on glycemic parameters and cardiovascular disease risk factors.
Predicción de la dinámica del carbono orgánico en suelos agrícolas del Cerrato Palentino (España) aplicando el modelo RothC

1 Departamento de Enseñanzas Técnicas, Universidad Europea Miguel de Cervantes, Valladolid, España; nmruiz@uemc.es. 2 Departamento de Ingeniería Agroforestal, ETSIIAA, Universidad de Valladolid, Palencia, España. 3 Instituto Universitario de Investigación en Ciencias Ambientales de Aragón (IUCA), EPS, Universidad de Zaragoza, Huesca, España 4 Departamento de Ciencias Agroforestales, ETSIIAA, Universidad de Valladolid, Palencia, España