Miracle-dz/UniFAR-FTUs huggingface dataset:
A Methyl Scan of the Pyrrolidinium Ring of Nicotine Reveals Significant Differences in Its Interactions with α7 and α4β2 Nicotinic Acetylcholine Receptors

The two major nicotinic acetylcholine receptors (nAChRs) in the brain are the α4β2 and α7 subtypes. A “methyl scan” of the pyrrolidinium ring was used to detect differences in nicotine’s interactions with these two receptors. Each methylnicotine was investigated using voltage-clamp and radioligand binding techniques. Methylation at each ring carbon elicited unique changes in nicotine’s receptor interactions. Replacing the 1′-N-methyl with an ethyl group or adding a second 1′-N-methyl group significantly reduced interaction with α4β2 but not α7 receptors. The 2′-methylation uniquely enhanced binding and agonist potency at α7 receptors. Although 3′- and 5′-trans-methylations were much better tolerated by α7 receptors than α4β2 receptors, 4′-methylation decreased potency and efficacy at α7 receptors much more than at α4β2 receptors. Whereas cis-5′-methylnicotine lacked agonist activity and displayed a low affinity at both receptors, trans-5′-methylnicotine retained considerable α7 receptor activity. Differences between the two 5′-methylated analogs of the potent pyridyl oxymethylene-bridged nicotine analog A84543 were consistent with what was found for the 5′-methylnicotines. Computer docking of the methylnicotines to the Lymnaea acetylcholine binding protein crystal structure containing two persistent waters predicted most of the changes in receptor affinity that were observed with methylation, particularly the lower affinities of the cis-methylnicotines. The much smaller effects of 1′-, 3′-, and 5′-methylations and the greater effects of 2′- and 4′-methylations on nicotine α7 nAChR interaction might be exploited for the design of new drugs based on the nicotine scaffold. SIGNIFICANCE STATEMENT Using a comprehensive “methyl scan” approach, we show that the orthosteric binding sites for acetylcholine and nicotine in the two major brain nicotinic acetylcholine receptors interact differently with the pyrrolidinium ring of nicotine, and we suggest reasons for the higher affinity of nicotine for the heteromeric receptor. Potential sites for nicotine structure modification were identified that may be useful in the design of new drugs targeting these receptors.
Assessing the influence of inflorescence traits on the susceptibility of grape to vine moths

In north‐eastern Italy during 1994–2006, studies were carried out on the susceptibility of grapevine cultivars to the first generations of the European vine moth [Lobesia botrana (Den. and Shiff.); Lep. , Tortricidae] and the European grape berry moth [Eupoecilia ambiguella (Hb.); Lep. , Cochylidae]. In five different years, the larval population density of both moth species and the larval age composition of L. botrana were recorded on 11 grapevine cultivars (Cabernet Sauvignon, Carmenère, Chardonnay, Pinot Gris, Merlot, Refosco dal Peduncolo Rosso, Rhine Riesling, Sauvignon Blanc, Terrano, Tocai Friulano, Verduzzo Friulano), grown in the same vineyard. The influence of inflorescence traits on these demographic parameters was also evaluated. On a 5‐year average, L. botrana significantly prevailed over E. ambiguella in nine of the 11 cultivars. Chardonnay and Pinot Gris were the most infested cultivars. Age composition of L. botrana larvae varied with cultivar type, being older on Chardonnay and Tocai Friulano than the other cultivars. Inflorescence earliness and hairiness explained the majority of the variability in cultivar susceptibility. In particular, the larval population level of the two vine moths was positively correlated with inflorescence earliness and negatively correlated with inflorescence hairiness. Lobesia botrana larval age composition was negatively correlated with inflorescence hairiness. Inflorescence earliness and hairiness could be used to predict in each grape‐growing area which cultivars are potentially more infested in the first generation. Inflorescences without pubescence, favouring an older age composition of first generation larvae, could induce an earlier second generation.
Mechanisms of Thermal Atomic Layer Etching.

ConspectusAtomic layer control of semiconductor processing is needed as critical dimensions are progressively reduced below the 10 nm scale. Atomic layer deposition (ALD) methods are meeting this challenge and produce conformal thin film growth on high aspect ratio features. Atomic layer etching (ALE) techniques are also required that can remove material with atomic layer precision. ALE processes are defined using sequential, self-limiting reactions based on surface modification and volatile release. Plasma ALE methods employ energetic ion or neutral species to release the modified material anisotropically using sputtering. In contrast, thermal ALE processes utilize gas species to release the modified material isotropically using thermal reactions. Thermal ALE can be viewed as the "reverse of ALD". There are a number of mechanisms for thermal ALE that have developed over the last five years. This Account will first examine the fluorination and ligand-exchange mechanism for thermal ALE. This mechanism is applicable for many metal oxide and metal nitride materials. Subsequently, the "conversion etch" mechanisms will be explored that are derived from the conversion of the surface of the substrate to a new material. The "conversion etch" mechanisms are needed when the initial material does not have a viable etching pathway via fluorination and ligand-exchange or when the material has a volatile fluoride. The thermal ALE mechanisms founded on either oxidation or halogenation of the initial substrate will then be examined with an emphasis on metal thermal ALE. Lastly, thermal ALE mechanisms will be considered that are based on self-limiting surface ligands or temperature modulation mechanisms. These various mechanisms offer a wide range of pathways to remove material isotropically with atomic layer control.Thermal ALE will be required to fabricate advanced semiconductor devices. This fabrication will increasingly occur beyond the limits of lithography and will extend into the third dimension. The situation is like Manhattan during the advent of skyscrapers. When there was no more room on the ground, building started to move to the third dimension. Three-dimensional devices require a sequential series of deposition and etching steps to build the skyscraper structures. Some etching needs to be vertical and anisotropic to make the elevator shafts. Other etching needs to be horizontal and isotropic to form the hallways. The mechanisms of thermal ALE will be critical for the definition of isotropic ALE processes.Reaching beyond the limits of lithography will also increase the need for maskless processing. The mechanisms of thermal ALE lead to strategies for selective etching of one material in the presence of many materials. In addition, area-selective deposition can benefit from the ability of thermal ALE to enhance deposition on the desired growth surfaces by removing deposition from other surrounding surfaces. Looking ahead, thermal ALE will continue to provide unique capabilities and will grow in importance as a nanofabrication processing technique.
Quinoa BRS Piabiru: alternativa para diversificar os sistemas de produção de grãos

Diversification of production systems contributes to improve income, to reduce costs, to improve nutrient availability, to protect the soil, to reduce negative environmental impact, and, to provide raw material. The Andean crop quinoa (Chenopodium quinoa Willd.), a Chenopodiaceae, presents outstanding characteristics of drought tolerance, high quality of kernel protein, low cholesterol content, absence of gluten (suitable to celiac patients), utilisation as animal feed. The species presents variability, with days from emergence to maturity varying between 80 to 150, under savannah conditions. The fruit, achene type, is small and flat in shape, without dormancy. The BRS Piabiru, the first recommended quinoa for cropping system in Brazil, was a selection of breeding line EC 3, originating from a plant population of Quito, Ecuador. After being tested for two years in variety trials, in Central Brazil, it was standardised for agronomic characteristics. Results obtained in succession to soybeans, using residual moisture, and in dry season, under irrigation, showed average yields of 2.8 ton/ha of grain, in 145 days from emergence to maturity. It is a potential component of no till production systems.
Substrate Availability May Be More Important than Aquatic Insect Abundance in the Distribution of Riparian Orb‐web Spiders in the Tropics

Spiders that are abundant along streams may depend on energy subsidies across land–water ecotones, but the effects of season and habitat structure on this trophic linkage remain poorly understood in the tropics. We carried out surveys and a manipulative experiment to investigate the effects of season and substrate availability on the distribution of riparian orb‐web spiders in Hong Kong, southern China. In the surveys, spider abundance, prey, substrate use, and web orientation were recorded. The experiment involved installation of in‐stream artificial substrates (ropes and bamboo poles) to increase substrate availability for web attachment. We found no seasonal difference in web abundance, but seasonal differences were observed for the prey on webs: aquatic insects (mostly Ephemeroptera and chironomid midges) contributed 69 percent of total prey collected during the wet season, but only 38 percent during the dry season. Most webs (50–80%) were < 0.5 m above the water and 45–51 percent of them tended to be orientated horizontally to the water surface and supported by overhanging vegetation and boulders. The addition of artificial substrates resulted in a 23–34 percent increase in the number of webs at the four treatment sites compared to controls, indicating that availability of web‐building substrates is a critical determinant of the spider distribution. Our results suggest that riparian zones are potential ‘hotspots' of food availability for spiders, and that the aquatic insect subsidy allows this habitat to support increased densities of spiders when the constraint of substrate availability is relaxed.
Unilateral maxillary central incisor root resorption after orthodontic treatment for Angle Class II, division 1 malocclusion with significant maxillary midline deviation: A possible correlation with root proximity to the incisive canal

Root resorption can be caused by several factors, including contact with the cortical bone. Here we report a case involving a 21-year-old female with Angle Class II, division 1 malocclusion who exhibited significant root resorption in the maxillary right central incisor after orthodontic treatment. The patient presented with significant left-sided deviation of the maxillary incisors due to lingual dislocation of the left lateral incisor and a Class II molar relationship. Cephalometric analysis demonstrated a Class I skeletal relationship (A point-nasion-B point, 2.5°) and proclined maxillary anterior teeth (upper incisor to sella-nasion plane angle, 113.4°). The primary treatment objectives were the achievement of stable occlusion with midline agreement between the maxillary and mandibular dentitions and appropriate maxillary anterior tooth axes and molar relationship. A panoramic radiograph obtained after active treatment showed significant root resorption in the maxillary right central incisor; therefore, we performed cone-beam computed tomography, which confirmed root resorption along the cortical bone around the incisive canal. The findings from this case, where different degrees of root resorption were observed despite comparable degrees of orthodontic movement in the bilateral maxillary central incisors, suggest that the incisive canal could be an inducing factor for root resorption. However, further investigation is necessary to confirm this assumption.
Pollination systems, biogeography, and divergence times of three allopatric species of Schisandra in North America, China, and Japan

Abstract This study analyses the pollination systems and biogeography of three allopatric species of Schisandra (Section Euschisandra) consisting of S. glabra (North America), S. bicolor (China), and S. repanda (Japan); the clade is delimited in a phylogenetic tree of Schisandraceae constructed with nuclear and plastid genes. The male and female flowers of these species have similar floral structures, but exhibit different pollination systems. At the base of the clade, S. glabra is pollinated by a wide variety of beetles and flies in a generalist pollination system that also includes floral heat and the use of male and female flowers as brood sites for insects. In Asia, however, S. bicolor and S. repanda are pollinated exclusively by one or two different species of gall midges (Resseliella spp.) in a specialist pollination system. In this system only female, pollen‐eating gall midges pollinate the flowers and breed on nearby spiderwebs. The gall midge pollination system is specialized and derived from the generalist system in S. glabra, and basal in the clade. Pollen is the main floral resource, and we hypothesize it is exploited to enrich eggs, and as a result species of gall midges could increase reproductive fitness by feeding on a single dependable food source. Subsequently the life cycles of the plants and insects evolved into a tight association in old stable plant communities in the Sino‐Japanese flora. Divergence times for the plant species are presented and correlated with past distributions and migration routes.
Effect of maturity at harvest on in vitro methane production from ensiled grass

Abstract Controlling the time of harvest to affect grass maturity for silage was evaluated as a methane (CH4) mitigation strategy in a batch culture in vitro with ruminal fluid as inoculum and silage from a mixed timothy (Phleum pretense)-meadow fescue (Festuca pratensis) stand. The stand was cut in May (early maturity [EM]; first cutting), June (late maturity [LM]; first cutting), and August (mid-maturity [MM]; third cutting). Disappearance of neutral detergent fiber (NDF) (EM: 0.58; MM: 0.50; LM: 0.45) and ADF (EM: 0.57; MM: 0.49; LM: 0.45) after 48 h was greater for EM compared to MM and LM, with no difference between the latter two. With advancing maturity, total gas (EM: 166.6; MM: 149.7; LM: 119.3 mL), CH4 production (EM: 21.4; MM: 17.6; LM: 14.8 mL), and methane production per g NDF digested decreased at 48 h (EM: 120; MM: 92; LM: 74 mL/g NDF digested). Ensiling less mature grass resulted in more CH4 per unit of NDF digested.
Effects of COVID-19 Home Confinement on Eating Behaviour and Physical Activity: Results of the ECLB-COVID19 International Online Survey

Background: Public health recommendations and governmental measures during the COVID-19 pandemic have resulted in numerous restrictions on daily living including social distancing, isolation and home confinement. While these measures are imperative to abate the spreading of COVID-19, the impact of these restrictions on health behaviours and lifestyles at home is undefined. Therefore, an international online survey was launched in April 2020, in seven languages, to elucidate the behavioural and lifestyle consequences of COVID-19 restrictions. This report presents the results from the first thousand responders on physical activity (PA) and nutrition behaviours. Methods: Following a structured review of the literature, the “Effects of home Confinement on multiple Lifestyle Behaviours during the COVID-19 outbreak (ECLB-COVID19)” Electronic survey was designed by a steering group of multidisciplinary scientists and academics. The survey was uploaded and shared on the Google online survey platform. Thirty-five research organisations from Europe, North-Africa, Western Asia and the Americas promoted the survey in English, German, French, Arabic, Spanish, Portuguese and Slovenian languages. Questions were presented in a differential format, with questions related to responses “before” and “during” confinement conditions. Results: 1047 replies (54% women) from Asia (36%), Africa (40%), Europe (21%) and other (3%) were included in the analysis. The COVID-19 home confinement had a negative effect on all PA intensity levels (vigorous, moderate, walking and overall). Additionally, daily sitting time increased from 5 to 8 h per day. Food consumption and meal patterns (the type of food, eating out of control, snacks between meals, number of main meals) were more unhealthy during confinement, with only alcohol binge drinking decreasing significantly. Conclusion: While isolation is a necessary measure to protect public health, results indicate that it alters physical activity and eating behaviours in a health compromising direction. A more detailed analysis of survey data will allow for a segregation of these responses in different age groups, countries and other subgroups, which will help develop interventions to mitigate the negative lifestyle behaviours that have manifested during the COVID-19 confinement.
Standardization and quality improvement of secondary prevention through cardiovascular rehabilitation programmes in Europe: The avenue towards EAPC accreditation programme: A position statement of the Secondary Prevention and Rehabilitation Section of the European Association of Preventive Cardiolog

Despite the proven efficacy and cost-effectiveness of contemporary cardiovascular rehabilitation programmes, the referral to/uptake of and adherence to cardiovascular rehabilitation remains inadequate. In addition, heterogeneity persists amongst different cardiovascular rehabilitation centres in Europe, despite the available scientific documents describing the evidence-based rehabilitation format/content. This position statement was elaborated by the Secondary Prevention and Rehabilitation (SP/CR) section of EAPC. It defines the minimal and optimal cardiovascular rehabilitation standards. In addition, it describes the relevant quality indicators of cardiovascular rehabilitation programmes to date. Compliance of European cardiovascular rehabilitation centres with these standards will improve cardiovascular rehabilitation process standardization in Europe and hence increase the quality of cadiovascular rehabilitation programmes.
Understanding the Rehabilitation Needs of Korean Patients With Complex Regional Pain Syndrome

Objective To evaluate the current status of pain severity and quality of life (QoL) in patients with complex regional pain syndrome (CRPS), and to assess both their perceived needs and any unmet needs of current rehabilitation services. Methods A single-center questionnaire-based survey was conducted on 47 patients with CRPS who were diagnosed based on Budapest’s criteria. It collected demographic and clinical data, and the structured questionnaire included the Brief Pain Inventory (BPI), the Korean version of the World Health Organization Disability Assessment Schedule II (WHODAS-K II), as well as the 5-Level EuroQol-5D (EQ-5D-5L) for measuring the QoL. Results The average value of BPI and WHODAS-K II were 7.69%±2.26% and 70.49%±19.22%, respectively. In the evaluation of their perceived needs and unmet needs for rehabilitation, patients had the highest rehabilitation needs in terms of pain (95.74%), followed by bodyaches (80.85%). Regarding their unmet needs, patients had the highest unmet needs in terms of memory impairment (83.33%), followed by weight management (72.00%). According to the regression analysis, only the overall BPI was significantly associated with QoL (p=0.01), and a higher BPI value led to poorer results for QoL. Conclusion In Korea, patients with CRPS do not receive adequate rehabilitation, and they are not satisfied with current received treatments. A more structured and individualized rehabilitation treatment plan is required to manage every aspect related to chronic pain, and provision should be made for improved care guidelines for future CRPS management.
Telehealth as a Bright Spot of the COVID-19 Pandemic: Recommendations From the Virtual Frontlines ("Frontweb")

The coronavirus disease (COVID-19) pandemic has accelerated the telehealth tipping point in the practice of family medicine and primary care in the United States, making telehealth not just a novel approach to care but also a necessary one for public health safety. Social distancing requirements and stay-at-home orders have shifted patient care from face-to-face consultations in primary care offices to virtual care from clinicians’ homes or offices, moving to a new frontline, which we call the “frontweb. ” Our telehealth workgroup employed the Clinical Transformation in Technology implementation framework to accelerate telehealth expansion and to develop a consensus document for clinician recommendations in providing remote virtual care during the pandemic. In a few weeks, telehealth went from under 5% of patient visits to almost 93%, while maintaining high levels of patient satisfaction. In this paper, we share clinician recommendations and guidance gleaned from this transition to the frontweb and offer a systematic approach for ensuring “webside” success.
Reliability and discriminative validity of a screening tool for the assessment of neuromuscular control and movement control in patients with neck pain and healthy individuals

Abstract Background To evaluate the reliability and discriminative validity of a proposed adapted tool for the assessment of movement control in patients with and without neck pain. Method A cross-sectional study at a University hospital center involving 25 pain-free healthy controls and 25 patients suffering from neck pain. Participants were assessed by two raters for inter-rater reliability and 1 week afterwards by a same rater for intra-rater reliability. The assessment involved a test for the axioscapular (adapted scapular holding test; SHT) and craniocervical (adapted craniocervical flexion test; CCFT) region for which intra-class correlation coefficients (ICCs) were computed to define the reliability. Discriminative validity to distinguish patients from controls was assessed by cross-validated computation of sensitivity, specificity, positive and negative likelihood ratios, overall accuracy, and area under the curve. Results The proposed tool was able to reliably assess sensorimotor impairment in participants at the craniocervical region (ICCintra = [0.52–0.82]; ICCinter = [0.60–0.85]), left axioscapular region (ICCintra = [0.43–0.77]; ICCinter = 0.71–0.90), and right axioscapular region (ICCintra = [0.47–0.79]; ICCinter = [0.42–0.77]). Furthermore, the tool yielded a sensitivity of 0.86, a specificity of 0.57, and accuracy of 0.71 (based on cross-validation). Conclusion The proposed tool is able to reliably evaluate patients based on their sensorimotor performance in the craniocervical and axioscapular region. Implications for rehabilitation Neck pain is related to sensorimotor impairment including neuromuscular differences and atypical sensormimotor control strategies. Clinicians should not avoid the challenging task of screening for sensorimotor impairment in patients reporting neck pain. The proposed tool supplemented with other tools might guide clinicians in the evaluation of sensorimotor impairment.