bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure-based docking, pharmacokinetic evaluation, and molecular dynamics-guided evaluation of traditional formulation against SARS-CoV-2 spike protein receptor bind domain and ACE2 receptor complex
Authors: kumar B. Harish , Manandhar Suman , Mehta Chetan H. , Nayak Usha Y. , Pai K. Sreedhara Ranganath 
Published: October 2021

AbstractThere is an urgent need for reliable cure and preventive measures in this hour of the outbreak of SARS-CoV-2. Siddha- and Ayurvedic-based classical formulations have antiviral properties and great potential therapeutic choice in this pandemic situation. In the current study, in silico-based analysis for the binding potential of phytoconstituents from the classical formulations suggested by the Ministry of Ayush (Kabasura Kudineer, Shwas Kuthar Rasa with Kantakari and pippali churna, Talisadi churna) to the interface domain of the SARS-CoV-2 receptor-binding domain and angiotensin-converting enzyme 2 was performed. Maestro software from Schrodinger and tools like Glide Docking, induced fit docking, MM-GBSA, molecular dynamics (MD) simulation, and thermal MM-GBSA was used to analyze the binding of protein PDB ID:6VW1 and the selected 133 ligands in comparison with drug molecules like favipiravir and ribavirin. QikProp-based ADMET evaluation of all the phytoconstituents found them nontoxic and with drug-like properties. Selection of top ten ligands was made based on docking score for further MM-GBSA analysis. After performing IFD of top five molecules iso-chlorogenic acid, taxiphyllin, vasicine, catechin and caffeic acid, MD simulation and thermal MM-GBSA were done. Iso-chlorogenic acid had formed more stable interaction with key residue among all phytoconstituents. Computational-based study has highlighted the potential of the many constituents of traditional medicine to interact with the SARS-CoV-2 RBD and ACE2, which might stop the viral entry into the cell. However, in vivo experiments and clinical trials are necessary for supporting this claim.
Neo-deterministic seismic hazard assessment of Corsica-Sardinia block
Authors: Brandmayr Enrico , Vaccari Franco , Panza Giuliano Francesco 
Published: October 2021

AbstractThe Corsica-Sardinia lithospheric block is commonly considered as a region of very low seismicity and the scarce reported seismicity for the area has till now precluded the reliable assessment of its seismic hazard. The time-honored assumption has been recently questioned and the historical seismicity of Sardinia has been reevaluated. Even more, several seismogenic nodes capable of M5 + have been recognized in the Corsica-Sardinia block exploiting the morphostructural zonation technique, calibrated to earlier results obtained for the Iberian peninsula, which has structural lithospheric affinities with the Corsica-Sardinia block. All this allows now for the computation of reliable earthquake hazard maps at bedrock conditions exploiting the power of Neo Deterministic Seismic Hazard Assessment (NDSHA) evaluation. NDSHA relies upon the fundamental physics of wave generation and propagation in complex geologic structures and generates realistic time series from which several earthquake ground motion parameters can be readily extracted. NDSHA exploits in an optimized way all the available knowledge about lithospheric mechanical parameters, seismic history, seismogenic zones and nodes. In accordance with continuum mechanics, the tensor nature of earthquake ground motion is preserved computing realistic signals using structural models obtained by tomographic inversion and earthquake source information readily available in literature. The way to this approach has been open by studies focused on continental Italy and Sicily, where the agreement between hazard maps obtained using seismogenic zones, informed by earthquake catalog data, and the maps obtained using only seismogenic nodes are very good.
Improved analysis method of neuromuscular junction in Drosophila larvae by transmission electron microscopy
Authors: Guangming Gan , Mei Chen , Chenchen Zhang , Wei Xie , Junhua Geng 
Published: October 2021

AbstractThe Drosophila neuromuscular junction is an excellent model for neuroscience research. However, the distribution of neuromuscular junctions is very diffuse, and it is not easy to accurately locate during ultrathin sectioning, which seriously interferes with the ultrastructural analysis under electron microscopy that only has a small field of view. Here, we reported an efficient method for acquiring the ultrastructural picture of neuromuscular junctions in Drosophila larva under electron microscopy. The procedure was as follows: first, the larval sample of body wall muscle was placed between the metal mesh and was dehydrated with alcohol and infiltrated with epoxy resin to prevent the sample from curling or bending, after it was dissected and fixed into thin slices. Second, the sample was embedded in resin into a flat sheet to facilitate the positioning of the muscles. Third, carefully and gradually remove the excess resin and the cuticle of the larvae, cut off both ends of the special body segment, and trim the excess specific muscles according to the recommended ratio of trimming muscles, which would reduce the workload exponentially. At last, the trimmed sample were prepared into serial about 1000 ultrathin sections that was about total 80 microns thickness, and 30–40 sections were gathered into a grid to stain with lead citrate and uranyl acetate. This method could also be applied to the other small and thin samples such as the Drosophila embryo, ventral nerve cord and brain.
Autophagy plays a double-edged sword role in liver diseases
Authors: Zhou Jing-chao , Wang Jing-lin , Ren Hao-zhen , Shi Xiao-lei 
Published: October 2021

AbstractAs a highly evolutionarily conserved process, autophagy can be found in all types of eukaryotic cells. Such a constitutive process maintains cellular homeostasis in a wide variety of cell types through the encapsulation of damaged proteins or organelles into double-membrane vesicles. Autophagy not only simply eliminates materials but also serves as a dynamic recycling system that produces new building blocks and energy for cellular renovation and homeostasis. Previous studies have primarily recognized the role of autophagy in the degradation of dysfunctional proteins and unwanted organelles. However, there are findings of autophagy in physiological and pathological processes. In hepatocytes, autophagy is not only essential for homeostatic functions but also implicated in some diseases, such as viral hepatitis, alcoholic hepatitis, and hepatic failure. In the present review, we summarized the molecular mechanisms of autophagy and its role in several liver diseases and put forward several new strategies for the treatment of liver disease.
Environmental sustainability assessment of organic vineyard practices from a life cycle perspective
Authors: Volanti Mirco , Cubillas Martínez C. , Cespi D. , Lopez-Baeza E. , Vassura I. , Passarini F. 
Published: October 2021

AbstractDue to increased awareness of the current and future issues with the environment, sustainable development has become a well-known concept and goal in the last decades. Based on this idea, organic agriculture is now fairly generalized in many farms and grape processing factories. Life cycle assessment (LCA) represents a valuable and standardized technique to evaluate how sustainable a crop can become, determining the potential impacts that the complete-life product causes on the environment and on the management/conservation of resources. Although LCA can be applied to any product, this work focusses on organic grapevine crops as the subject of study, in order to improve energy and water efficiency and minimizing issues such as the use of pesticides. This paper, collecting primary data from three Spanish grape processing factories, quantifies the reduction of the overall impact related to the avoidance of artificial irrigation, amounting to 10%, and the saving of resources (− 4.3 kg oil eq. per ha) due to the replacement of chemical fertilisers with animal manure. On the other hand, the use of manure has shown some controversy from an environmental point of view as it contributes to global warming, resulting in an increase in the total impact of the organic vineyard. As predictable, the application of conventional practices as well as the use of water for irrigation could both result in a higher overall yield, and in a contemporary growth of environmental impacts; a discussion about the quantification of this aspect is also inserted.
Changes in cognitive and behavioral control after lamotrigine and intensive dialectical behavioral therapy for severe, multi-impulsive bulimia nervosa: an fMRI case study
Authors: Berner Laura A. , Reilly Erin E. , Yu Xinze , Krueger Angeline , Trunko Mary Ellen , Anderson Leslie K. , Chen Joanna , Simmons Alan N. , Kaye Walter H. 
Published: October 2021

Abstract
Purpose
Adults with bulimia nervosa (BN) and co-occurring emotional dysregulation and multiple impulsive behaviors are less responsive to existing interventions. Initial data suggest that the combination of Dialectical Behavior Therapy (DBT) and a mood stabilizer, lamotrigine, significantly reduces symptoms of affective and behavioral dysregulation in these patients. Identifying candidate neurobiological mechanisms of change for this novel treatment combination may help guide future randomized controlled trials and inform new and targeted treatment development. Here, we examined neurocognitive and symptom changes in a female patient with BN and severe affective and behavioral dysregulation who received DBT and lamotrigine.

Methods
Go/no-go task performance data and resting-state functional MRI scans were acquired before the initiation of lamotrigine (after 6 weeks in an intensive DBT program), and again after reaching and maintaining a stable dose of lamotrigine. The patient completed a battery of symptom measures biweekly for 18 weeks over the course of treatment.

Results
After lamotrigine initiation, the patient made fewer errors on a response inhibition task and showed increased and new connectivity within frontoparietal and frontolimbic networks involved in behavioral and affective control. Accompanying this symptom improvement, the patient reported marked reductions in bulimic symptoms, behavioral dysregulation, and reactivity to negative affect, along with increases in DBT skills use.

Conclusion
Improved response inhibition and cognitive control network connectivity should be further investigated as neurocognitive mechanisms of change with combined DBT and lamotrigine for eating disorders. Longitudinal, controlled trials integrating neuroimaging and symptom measures are needed to fully evaluate the effects of this treatment.

Level of Evidence
IV: Evidence obtained from multiple time series with or without the intervention, such as case studies.
Gender-specific associations of speech-frequency hearing loss, high-frequency hearing loss, and cognitive impairment among older community dwellers in China
Authors: Wang Jingru , Wang Feng , Han Peipei , Liu Yuewen , Ma Weibo , Zhang Hui , Yu Xing , Xie Fandi , Niu Shumeng , Hu Hao , Zhu Xiaohan , Wang Hongbing , Yu Ying , Guo Qi 
Published: October 2021

Abstract
Background and Aims
This study aimed atinvestigating the relationship between speech-frequency hearing loss (SFHL), high-frequency hearing loss (HFHL), and cognitive impairment (CI) and then to determine whether there are any differences in gender among older community dwellers in China.

Methods
1012 adults aged ≥ 60 years (428 males; average age, 72.61 ± 5.51 years) and living in Chongming District, Shanghai were enrolled in the study. We used the audiometric definition of hearing loss (HL) adopted by the World Health Organization (WHO). Speech-frequencies were measured at 0.5 kHz, 1 kHz, 2 kHz, and 4 kHz; high-frequencies were measured at 4 kHz and 8 kHz. Pure tone average (PTA) was measured as hearing sensitivity. Cognitive performance was measured using the mini mental state examination (MMSE).

Results
Our studies demonstrated a 37.6% prevalence of HL in males and a 36.0% prevalence of HL in females. Adjusted for confounding variables, the results from a multivariate analysis showed that SFHL was associated with CI in females (OR = 2.922, 95% Confidence Interval = 1.666–5.124) and males (OR = 2.559, 95% Confidence Interval = 1.252–5.232). However, HFHL was associated with CI only in females (OR = 3.490, 95% Confidence Interval = 1.834–6.643). HL was associated with poorer cognitive scores (P < 0.05). “Registration” (P < 0.05) in MMSE was associated with speech- and high-frequency hearing sensitivity.

Conclusions
The associations between HL and CI varied according to gender in older community-dwellers, suggesting that different mechanisms are involved in the etiology of HL. Moreover, hearing sensitivity was negatively associated with cognition scores; therefore, early screening for HL and CI among older community-dwelling adults is advised.
Welfare economics of managing an epidemic: an exposition
Authors: Iwamoto Yasushi 
Published: October 2021

AbstractThis paper reviews recent findings on the normative analysis of private and governmental countermeasures against infectious diseases, focusing on COVID-19. Based on a model that relates the economic activity to infectious disease epidemics, policies that maximize social welfare are considered. Lockdowns in many countries are measures that restrict economic activity over a wide area, and the economic damage they cause is extremely large. Existing studies on the net benefit of lockdown implemented in 2020 have reached mixed conclusions as to whether it is warranted or not. Although the estimates of costs and effects are relatively stable, the setting of the value of a statistical life for converting effects into benefits has a wide range and is also likely to overestimate benefits. Therefore, a careful procedure for setting is particularly crucial to obtain a reliable evaluation of countermeasures. Compared to uniform restriction of activities, taking measures to restrict activities by selecting targets may improve efficiency. Attributes that can be used to select targets include those that can be identified at little or no cost, such as age and industry, and those that can only be identified at a cost, such as close contact with infectious individuals and the presence of pathogens. In comparison to lockdown, these measures may reduce human suffering and economic suffering. No trade-off exists between uniform activity restrictions and selective activity restrictions.
The geometric index and attractors of homeomorphisms of
Authors: BARGE H. , SÁNCHEZ-GABITES J. J. 
Published: October 2021

AbstractIn this paper we focus on compacta$K \subseteq \mathbb {R}^3$which possess a neighbourhood basis that consists of nested solid tori$T_i$. We call these sets toroidal. Making use of the classical notion of the geometric index of a curve inside a torus, we introduce the self-geometric index of a toroidal setK, which roughly captures how each torus$T_{i+1}$winds inside the previous$T_i$as$i \rightarrow +\infty $. We then use this index to obtain some results about the realizability of toroidal sets as attractors for homeomorphisms of$\mathbb {R}^3$.
Smoothness of stable holonomies inside center-stable manifolds
Authors: BROWN AARON 
Published: October 2021

AbstractUnder a suitable bunching condition, we establish that stable holonomies inside center-stable manifolds for
$C^{1+\beta }$
diffeomorphisms are uniformly bi-Lipschitz and, in fact,
$C^{1+\mathrm {H}\ddot{\rm o}\mathrm {lder}}$
. This verifies the ergodicity of suitably center-bunched, essentially accessible, partially hyperbolic
$C^{1+\beta }$
diffeomorphisms and verifies that the Ledrappier–Young entropy formula holds for
$C^{1+\beta }$
diffeomorphisms of compact manifolds.
Late outcome, therapy and systemic ventricular function in patients with a systemic right ventricle: data of the German National Register for Congenital Heart Defects
Authors: Lebherz Corinna , Gerhardus Martin , Lammers Astrid Elisabeth , Helm Paul , Tutarel Oktay , Bauer Ulrike , Bülow Tanja , Kerst Gunter , Diller Gerhard-Paul , Marx Nikolaus 
Published: October 2021

AbstractBackground:Adults with systemic right ventricle have a significant risk for long-term complications such as arrhythmias or heart failure.Methods:A nationwide retrospective study based on the German National Register for Congenital Heart Disease was performed. Patients with transposition of the great arteries after atrial switch operation or congenitally corrected TGA were included.Results:Two hundred and eight-five patients with transposition of the great arteries after atrial switch operation and 95 patients with congenitally corrected transposition of the great arteries were included (mean age 33 years). Systolic function of the systemic ventricle was moderately or severely reduced in 25.5 % after atrial switch operation and in 35.1% in patients with congenitally corrected transposition. Regurgitation of the systemic atrioventricular valve was present in 39.5% and 43.2% of the cases, respectively. A significant percentage of patients also had a history for supraventricular or ventricular arrhythmias. However, polypharmacy of cardiovascular drugs was rare (4.5%) and 38.5 % of the patients did not take any cardiovascular medication. The amount of cardiovascular drugs taken was associated with NYHA class as well as systemic right ventricular dysfunction. Patients with congenitally corrected transposition were more likely to receive pharmacological treatment than patients after atrial switch operation.Conclusion:A significant portion of patients with systemic right ventricle suffer from a relevant systemic ventricular dysfunction, systemic atrioventricular valve regurgitation, and arrhythmias. Despite this, medication for heart failure treatment is not universally used in this cohort. This emphasises the need for randomised trials in patient with systemic right ventricle.
Binge-eating disorder in university students: high prevalence and strong link to impulsive and compulsive traits
Authors: Solly Jeremy E. , Chamberlain Samuel R. , Lust Katherine , Grant Jon E. 
Published: October 2021

AbstractBackgroundBinge eating disorder (BED) is the most common eating disorder, and is associated with significant comorbidity, with university students being particularly vulnerable. We aimed to assess associations of BED with a wide range of comorbidities and measures of impulsivity and compulsivity in university students, to gain better understanding of its prevalence, correlates and pathophysiology.MethodsWe carried out an internet-based survey, assessing presence of BED using a validated structured self-report diagnostic tool, demographics, substance use, impulsive behaviors, psychiatric history, and measures of impulsivity and compulsivity. Approximately 10 000 students were invited to take part. Group differences between students with current BED and students without BED were investigated.ResultsA total of 3415 students completed the survey, with 83 (2.4%) screening positive for BED. BED was associated with female gender, hazardous/harmful alcohol use, depression and anxiety symptoms, low self-esteem, post-traumatic stress disorder, attention-deficit/hyperactivity disorder, treatment for psychological/emotional problems (including prescribed medication) and trait impulsivity and compulsivity. However, the largest effect sizes were evident for associations with trait impulsivity and compulsivity.ConclusionsThe associations of BED with trait impulsivity and compulsivity implicate these latent phenotypes in its pathophysiology. The identified links between BED and a wide range of mental disorders highlight the need to screen for disordered eating in student populations, including when students present with other mental health conditions.
Uncertainty in organ delineation using low-dose computed tomography images with high-strength iterative reconstruction technique in radiotherapy for prostate cancer
Authors: Yoshida Tsukasa , Tomida Tetsuya , Urikura Atsushi , Aoyama Yuki , Hosokawa Yoichiro , Hanmura Masahiro , Endo Masahiro 
Published: October 2021

Abstract

Introduction
This study aimed to investigate the uncertainty in organ delineation of low-dose computed tomography (CT) images using a high-strength iterative reconstruction (IR) during radiotherapy planning for the treatment of prostate cancer.

Methods
Two CT datasets were prepared with different dose levels by adjusting the reconstruction slice thickness. Two observers independently delineated the prostate, seminal vesicles, bladder and rectum on both images without referring to other modality images. The delineated organ volumes were compared between both images. Observer delineation variability was assessed using Dice similarity coefficient (DSC) and mean distance to agreement.

Results
No significant differences regarding the delineated organ volumes were observed between the low- and standard-dose images for all organs. Regarding inter-observer variability, the DSC was relatively high for both images, whereas mean distance to agreement was not significantly different between images (p > 0·05 for all). Intra-observer variability for each observer showed high DSC (>0·8 and >0·9 for seminal vesicles and other organs, respectively) but no significant differences in the mean distance to agreement (p > 0·05 for all).

Conclusions
Our results indicate that low-dose CT images with high-strength IR would be available for organ delineation in the radiotherapy treatment planning for prostate cancer.
From bandit nests to Sakura orchards: colonial rule, press images, and the stating of Taiwan's Northern Mountains, 1896–1908
Authors: McMahon Daniel Mark 
Published: October 2021

AbstractAddressing a question of how states in both Asia and the world have resolved the dilemma posed by ecologically recalcitrant “nonstate spaces,” this essay examines a refuge in Taiwan's Northern Mountains. Resistance to Japanese rule from 1896, sheltered in the Grass Mountain uplands, precipitated not just colonial pacification, but a platform of “modern” (Western-modeled, but Meiji Japanese and Qing Chinese influenced) transformation. This was promoted through the educational and symbolic cultivation of Zhishan Rock, a press discourse of nature for public edification, as well as policies that strengthened policing, guided resettlement, and opened the area to recreation. Such tailored “stating” processes altered the image of the region, infused a culture of ecological veneration, and established a more sustainable system of oversight. A critical phase to Grass Mountain becoming a national park, these changes presented a template for Japanese (as subsequent) authorities as they struggled to manage Taiwan's unruly highland frontiers.
How Does Coastal Gravel Get Sorted Under Stormy Longshore Transport?
Authors: Eyal H. , Enzel Y. , Meiburg E. , Vowinckel B. , Lensky N. G. 
Published: October 2021

AbstractStorm waves transport and sort coarse gravel along coasts. This fundamental process is important under changing sea‐levels and increased storm frequency and intensity. However, limited information on intra‐storm clast motion restricts theory development for coastal gravel sorting and coastal management of longshore transport. Here, we use smart boulders equipped with loggers recording underwater, real‐time, intra‐storm clast motion, and measured longshore displacement of varied‐mass marked boulders during storms. We utilize the unique setting of the Dead Sea shores where rapidly falling water levels allow isolating boulder transport during individual storms. Guided by these observations, we develop a new model quantifying the critical wave height for a certain clast mass mobilization. Then, we obtain an expression for the longshore clast displacement under the fluid‐induced pressure impulse of a given wave. Finally, we formulate the sorting enforced by wave‐height distributions during a storm, demonstrating how sorting is a direct manifestation of regional hydroclimatology.