bluuebunny/crossref_metadata_2025_split huggingface dataset:
Blocking catalytic metal ion binding sites to develop antiviral therapies: exemplified using SARS-CoV-2 and HIV
Authors:   Virendra 1 Pandey, Comollo Thomas 
Published: November 2022

Abstract

Despite widely disseminated COVID19 vaccinations, infections continue. Treating COVID19 by inhibition of the RNA dependent-RNA polymerase of the causative virus, SARS-CoV2, is a helpful strategy. In this manuscript we describe a method of inhibiting SARS-CoV2 and other viral polymerases by blocking the binding of catalytic metal ions to the catalytic site in these polymerases. We performed an ~ 900,000 small molecule,in silico, virtual screening for small molecule compounds that would bind the metal ion site on nsp12; the SARS-CoV-2 replicase. We also tested seven of the best scoring “hit” compounds in anin vitroactivity assay for HIV reverse transcriptase. We found that even though thein silicoscreen for compounds had be targeted at nsp12, our compounds, at 10 µM, still had up to 24.4% inhibitory activity on HIV-RT in an enzymatic assay. Docking to a model of HIV-RT found that these seven molecules dock in overlapping pockets an near the catalytic metal ion binding site, occluding it. Presumably these molecules inhibit HIV-RT in the same fashion they were intended to inhibit SARS-CoV-2’s nsp12. Further development of compounds that target catalytic metal ion binding sites can generate antivirals for a variety of viruses or even broad-spectrum antiviral therapeutics.
Efficient Thermal-Energy-Storage Chiller Plant Facility Management with Digital Twin-assisted Augmented Reality Application
Authors: Sanzana Mirza Rayana , Abdulrazic Mostafa Osama Mostafa , Wong Jing Ying , Yip Chun-Chieh 
Published: November 2022

Abstract
This paper contributes to an interesting method of Digital Twin (DT)-assisted Augmented Reality (AR) application for the Thermal-Energy-Storage chiller plant facility management. AR with DT can greatly facilitate management and maintenance of complex Thermal-Energy-Storage Chiller Plants with better and remote accessibility, as well as improved communication among staff. This involves utilizing AR for viewing the chiller plant with related maintenance details. Besides, this application will be assisted by DT to allow a real-time update about when certain components are maintained. The manager can input information regarding maintenance tasks he wants to be completed using the AR application. A chiller plant is an unsuitable and noisy environment with various pieces of equipment for some individuals. Moreover, sometimes a chiller plant is situated in the basement and requires the manager to physically perform supervision visits. This paper provides an innovative framework that will allow facility managers to maintain and manage the chiller plants remotely. Furthermore, it also provides an opportunity for disabled people to pursue such management roles as they can simply view and manage from their smartphones.
Evaluation of the Main Regulators of Systemic Iron Homeostasis in Pyruvate Kinase Deficiency
Authors: Zaninoni Anna , Marra Roberta , Fermo Elisa , Consonni Dario , Andolfo Immacolata , Marcello Anna Paola , Rosato Barbara Eleni , Vercellati Cristina , Barcellini Wilma , Iolascon Achille , Bianchi Paola , Russo Roberta 
Published: November 2022

Abstract
Iron homeostasis and dyserythropoiesis are poorly investigated in pyruvate kinase deficiency (PKD), the most common glycolytic defect of erythrocytes. Herein, we studied the main regulators of iron balance and erythropoiesis, as soluble transferrin receptor (sTfR), hepcidin, erythroferrone (ERFE), and erythropoietin (EPO), in a cohort of 41 PKD patients, compared with 42 affected by congenital hemolytic anemia type II (CDAII) and 50 with hereditary spherocytosis (HS). PKD patients showed intermediate values of hepcidin and ERFE between CDAII and HS, and clear negative correlations between log-transformed hepcidin and log-EPO (Person’s r correlation coefficient = -0.34), log-hepcidin and log-ERFE (r = -0.47), and log-hepcidin and sTfR (r = -0.44). sTfR was significantly higher in PKD; EPO levels were similar in PKD and CDAII, both higher than in HS. Finally, genotype-phenotype correlation in PKD showed that more severe patients, carrying non-missense/non-missense genotypes, had lower hepcidin and increased ERFE, EPO, and sTFR compared with the others (missense/missense and missense/non-missense), suggesting a higher rate of ineffective erythropoiesis. We herein investigated the main regulators of systemic iron homeostasis in the largest cohort of PKD patients described so far, opening new perspectives on the molecular basis and therapeutic approaches of this disease.
Agricultural practices in a high-altitude valley of the Southern Andes: new insights from organic residue analysis from La Ciénega valley, Argentina (ca. 200 BCE-900 CE)
Authors: Fiorani Agustina V. , Fundurulić Ana , Manhita Ana , Salvi Valeria Franco , Dias Cristina Barrocas 
Published: November 2022

AbstractThe consolidation of villager life in the Southern Andes implied profound transformations in human lifeways and groups’ relations with the landscape with the adoption of settled life and food production economies. Contributions from archaeological sciences can cast light into these research questions providing, for example, new information about patterns of susbsistence strategies. In this paper, we present the first organic residue analysis on ceramic containers of early villager societies of Northwestern Argentina (La Cienéga valley, ca. 200 BCE-900 CE) through two simultaneous lipid extraction methods (H2SO4/MeOH and CHCl3/MeOH). We aimed to put to test the existent characterization of the study area as a peripheric herding settlement evaluating the subsistence strategies and food economies of villager groups through the lens of absorbed organic residues in pottery. Preliminary evidence obtained in this article indicated a predominance of biomarkers associable to vegetable products in the vessels (i.e. maize) and a lower contribution of animal fats. Furthermore, a comparison and evaluation of the performance of each extraction method for specific compounds is given.
WNT2–SOX4 positive feedback loop promotes chemoresistance and tumorigenesis by inducing stem-cell like properties in gastric cancer
Authors: Fu Li , Tan Xiang-Yu , Li Yuting , Li Hua-Hui , Ma Li-Xiang , Zeng Chui-Mian , Zhang Tian-Tian , Huang Tu-Xiong 
Published: November 2022

Abstract
Gastric cancer (GC) is characterized by its vigorous chemoresistance to current therapies, which is attributed to the highly heterogeneous and immature phenotype of cancer stem cells (CSCs) during tumor initiation and propagation. The secretory WNT2 ligand regulates multiple cancer pathways and has been demonstrated to be a potential therapeutic target for gastrointestinal tumors; however, its role involved in gastric CSCs (GCSCs) remains unclear. Here, we found that WNT2 was overexpressed in GCSCs and positively regulated by its transcription factor SOX4. SOX4 was in turn upregulated by the canonical WNT2/FZD8/β-catenin signaling pathway to form an auto-regulatory positive feedback loop, resulting in the maintenance of GCSC self-renewal and tumorigenicity. Furthermore, blocking WNT2 using a specific monoclonal antibody significantly disrupted the WNT2–SOX4 positive feedback loop in GCSCs and enhanced the chemotherapeutic efficacy when synergized with the chemo-drugs 5-fluorouracil and oxaliplatin in a GCSC-derived mouse xenograft model. Overall, this study identified a novel WNT2–SOX4 positive feedback loop as a mechanism for GCSC-induced chemo-drugs resistance and suggested that the WNT2–SOX4 axis may be a potential therapeutic target for gastric cancer treatment.
DNA sequence-specific ligands. XX. Synthesis, spectral properties, virological and biochemical studies of fluorescent dimeric trisbenzimidazoles DB3P(n)1
Authors: Arutyunyan Albert F. , Kostyukov Alexey , Lushpa Vladislav A. , Mineev Konstantin S. , Korolev Sergey P. , Gottikh Marina B. , Klimova Regina R. , Kushch Alla A. , Kalabina Kseniya V. , Susova Olga Yu. , Zhuze Alexei L. 
Published: November 2022

Abstract
A new series of AT-specific minor groove DNA ligands (DB3P(n); n = 1,2,3,4) were synthesized and their spectral, biological and virological properties were investigated in water media. The variable length of methylene spacer in middle of molecule structure allows to “recognize” sequences of blocks of three AT pairs located at different distances from each other. The biological trials have shown sufficient capability to suppress activity of HIV-1 integrase catalytic activity at sub micromolar concentrations (0.25 – 0.50 µМ). DB3P(n) were found as very effective inhibitor of simplex virus type I and DNA topoisomerase I. By confocal microscopy confirmed ability of compounds stain nuclei, that can be used as gene-expression regulator.
Estimating Active Cases of COVID-19
Authors: Alvarez Javier , Baquero Carlos , Cabana Elisa , Champati Jaya Prakash , Anta Antonio Fernandez , Frey Davide , Garcia-Agundez Augusto , Georgiou Chryssis , Goessens Mathieu , Hernandez Harold , Lillo Rosa , Menezes Raquel , Moreno Raul , Nicolaou Nicolas , Ojo Oluwasegun , Ortega Antonio , Rausell Estrella , Rufino Jesus , Stavrakis Efstathios , Jeevan Govind , Glorioso Christin 
Published: November 2022

Abstract
Introduction: Having accurate and timely data on active COVID-19 cases is challenging, since it depends on the availability of an appropriate infrastructure to perform tests and aggregate their results. In this work, we propose alternative methods to assess the number of active cases of COVID-19.
Methods: We consider a case to be active if it is infectious, and we propose three methods to estimate the number of active infectious cases of COVID-19 using (1) official publications based on PCR testing, (2) fatalities using the case fatality ratio, and (3) three public surveys from the Delphi Group at Carnegie Mellon University, the University of Maryland, and our self-developed survey entitled Coronasurveys.
Results: We show that public surveys are a viable option in countries with reduced testing capacity or infrastructures.
Effect of Sodium Fluorescein Strip Application on Cornea Parameters Commonly Used in Laser-assisted in-situ Keratomileusis
Authors: Han Dongmei , Xie Wenjuan , Yuan Muqu , Cui Jing , Wang Qifeng , Zhang Qingsong 
Published: November 2022

Abstract
Purpose
To assess the effects of sodium fluorescein (NaF) strips on corneal parameters commonly used in Laser-assisted in-situ keratomileusis (LASIK).
Method
Eighty-six subjects (172 eyes) scheduled for LASIK between January and March 2022 were recruited. Topographic measurements of corneal parameters, including central corneal thickness (CCT), anterior keratometric (K) readings (K1, flat keratometry; K2, steep keratometry), horizontal corneal diameter (white to white, WTW), and corneal asphericity (Q value), were obtained using a Scheimpflug device (Pentacam) before and 10 min after NaF strip treatment.
Results
The Pentacam recorded a small significant increase in CCT (mean 538.88 ± 28.78µm to 547.90 ± 29.94µm; p < .001, paired samples t-test), with no differences in K1 and K2 (mean 42.24 ± 1.35D to 42.24 ± 1.35D, and mean 43.34 ± 1.50D to 43.32 ± 1.51D; P > .05, Wilcoxon signed-rank test, for all), or WTW (mean 11.58 ± 0.32 mm to 11.58 ± 0.32 mm; P > .05, Wilcoxon signed-rank test) before and after treatment. Furthermore, there was no significant difference in the Q value (mean − 0.30 ± 0.13 to -0.30 ± 0.14; P > .05, paired samples t-test).
Conclusions
These results indicate that clinicians should avoid NaF strip application before obtaining precise topographic measurements of cornea parameters.
Effects of tannic acid on the immunity and intestinal health of broiler chickens with Clostridium perfringens-induced necrotic enteritis
Authors: Xu Huiping , Fu Jianyang , Luo Yimeng , Li Peng , Song Bochen , Lv Zengpeng , Guo Yuming 
Published: November 2022

Abstract
Background
In broiler chickens, necrotic enteritis (NE) infection can reduce production performance. Tannic acid, as a kind of plant extract, has received extensive attention. However, the appropriate dosage of tannic acid in NE of broilers and the improvement effect on intestinal health are not very clear. In this study, we aimed to investigate the effects of different doses of tannic acid on the production performance, immunity, and intestinal health of broilers by constructing an NE model with C. perfringens infection and determining the appropriate dosage of tannic acid with regard to NE.
Results
Challenged birds showed significant reduction in body weights, villus heights, and the ratio of villus height to crypt depth (V/C) (P < 0.05) and increase in the feed consumption gain ratio, intestinal lesion score, and crypt depth (P < 0.05). NE infection significantly reduced the relative Bacteroides and Ligilactobacillus abundance (P < 0.05) and increased the ratio of Firmicutes/Bacteroides and cecal content of C. perfringens (P < 0.05). Challenged birds fed diets supplemented with tannic acid showed significantly increased mRNA expression of nutrient transport carriers and intestinal barrier genes and growth performance and reduced serum zonulin and endotoxin levels (P < 0.05). Addition of tannic acid to the diet inhibited the inflammatory response by reducing the number of coccidia oocysts in feces and the content of C. perfringens in the cecum. Specifically, tannin acid reduced the serum levels of C reactive protein, myeloperoxidase, and specific IgY and ileal mucosal secretory immunoglobulin A (sIgA) levels in the ileal mucosa compared with those in the NE-infected birds. NE-infected birds fed diets supplemented with tannin acid also showed significantly increased relative Anaerocolumna, Thermoanaerobacterium, and Thermosinus abundance (P < 0.05); their microbial composition and functional predictions were similar to those of the NC group.
Conclusions
Tannic acid in the diet alleviated NE by enhancing the intestinal barrier and absorption function. The recommended dietary tannic acid additive level is 500–750 mg/kg. Our study findings would be useful in reducing related economic losses in the broiler industry.
The study of stereoselectivity and mesomeric effect of N-nitrosamins via 1H NMR spectroscopy
Authors: Yaghmaeiyan Nahid , Mirzaei Mahdi , Bamoniri Abdolhamid 
Published: November 2022

Abstract
Nano-kaolin-SO3H was prepared and used to synthesis of N-nitrosamines. The products were characterized by their spectral (IR and 1H NMR) data. N-nitrosamines can exist in two mesomeric forms but the reaction is quite regioselective and only one of mesomers is formed as main product which can exist in two E and Z stereoisomers. In this paper, we have studied the mesomeric effect of N-nitrosamines which explained the diastereotopic nature of corresponding protons in symmetric N-nitrosamines and formation of two isomers in asymmetric N-nitrosamines.
Application of biochar and sulfur-modified biochar in a saline-sodic and calcareous soil: Effects on soil water content, soil biochemical properties and millet (Panicum miliaceum) yield
Authors: Taheri Musa al-Reza , Astaraei Ali reza , Lakzian Amir , Emami Hojat 
Published: November 2022

Abstract
Aims
Soil microbial and enzymatic activity have important roles in soil health, nutrient cycle, and plant growth. Biochar is excellent biomass for increasing soil water content, but some of the biochar compounds due to high pH are harmful to the soil. This study aimed to investigate the effect of biochar and sulfur-modified biochar on improving, soil water content and biochemical properties of soil in a millet cropping system.
Methods
The field experiment was performed in a completely random design with three replications under field conditions. Experimental treatments included control, 15 t ha− 1 sunflower biochar (B), and 15 t ha− 1 sulfur-modified biochar (BS).
Results
Soil water content in B treatment was higher than that in BS treatment. B and BS treatments improved soil biological properties (MBC, BR, CAT, DHA, UA and ALP) compared to control. Application of B and BS treatments decreased soil EC and SAR compared to the control. The highest (8.26) and lowest (7.83) values of soil pH were related to B and BS treatments, respectively. Treatment of soil with B and BS enhanced soil DOC (90% and 33%), AN (74% and 48%), and AP (60% and 96%) compared to control. Application of B and BS treatments enhanced plant nutrients such as N, P and K and increased RWC (40% and 14%) and plant yield (58% and 115%) compared to the control.
Conclusions
The sulfur increased the efficiency of biochar on amending saline and calcareous soil and enhance plant yield through improving chemical properties (pH and CEC) of biochar.
Use of thoracoscopy for thoracic sympathetic nerve block in primary hyperhidrosis
Authors: Han Jung Wook , Ahn Seha , Jeong Jin Yong , Park Chan Beom , Eom Eunjin , Park Soo Seog 
Published: November 2022

Abstract
Thoracic sympathetic nerve block (TSNB) has been widely used in the treatment of neuropathic pain. To reduce block failure rates, TSNB is assisted with several modalities including fluoroscopy, computed tomography, and ultrasonography. The present study describes our experience assessing the usefulness of thoracoscopy in TSNB for predicting compensatory hyperhidrosis before sympathectomy in primary hyperhidrosis. From September 2013 to October 2021, TSNB was performed under local anesthesia using a 2-mm thoracoscope in 302 patients with severe primary hyperhidrosis. Among the 302 patients, 294 were included for analysis. The target level of TSNB was T3 in almost all patients. The mean procedure time was 21 minutes. Following TSNB, the mean temperature of the left and right palms significantly changed from 31.5°C to 35.3°C and from 31.5°C to 34.8°C, respectively. With TSNB, primary hyperhidrosis was relieved in all patients. Pneumothorax occurred in six patients, in which no chest tube insertion was required. One patient developed hemothorax and was discharged the next day after small-bore catheter drainage. Transient ptosis developed in 10 patients and improved within a day in all patients. Our experiences showed that thoracoscopic TSNB is accurate, safe, and feasible to block the thoracic sympathetic nerve in patients with severe primary hyperhidrosis.
Ventral striatal islands of Calleja neurons bidirectionally mediate depression-like behaviors in mice
Authors: Zhang Yun-Feng , Wang Yingqi , Johnson Natalie , Bhattarai Janardhan , Espitia Camilo Guevara , Shoenhard Hannah , Fuccillo Marc , Wesson Daniel , Ma Minghong 
Published: November 2022

Abstract
The ventral striatum, composed of the nucleus accumbens (NAc) and olfactory tubercle (OT), is a key reward center implicated in the pathophysiology of depression. Although the OT is known to regulate motivational and reward-related behaviors, its involvement in depression remains unexplored. We recently report that islands of Calleja, clusters of dopamine D3 receptor-expressing granule cells that are predominately situated in the OT, regulate self-grooming, a repetitive behavior manifested in mood disorders including depression. Here we show that chronic restraint stress (CRS) induces robust depression-like behaviors in mice and decreases excitability of OT D3 neurons. Ablation or inhibition of these neurons leads to depression-like behaviors, whereas their activation ameliorates CRS-induced depressive phenotypes. Moreover, activation of OT D3 neurons has a rewarding effect, which diminishes when grooming is blocked. Finally, we propose a model to explain how OT D3 neurons may influence dopamine release into the NAc via synaptic connections with OT spiny projection neurons (SPNs) that project to midbrain dopamine neurons. Our study reveals a novel role of OT D3 neurons in bidirectionally mediating depressive phenotypes, suggesting an attractive therapeutic target.
Revisiting self-interference in Young’s double-slit experiments
Authors: Kim Sangbae , Ham Byoung S. 
Published: November 2022

Abstract
Quantum superposition is the heart of quantum mechanics as mentioned by Dirac and Feynman. In an interferometric system, single photon self-interference has been intensively studied over the last several decades in both quantum and classical regimes. In Born rule tests, the Sorkin parameter indicates the maximum number of possible quantum superposition allowed to the input photons entering an interferometer, where multi-photon interference fringe is equivalent to that of a classical version by a laser. Here, an attenuated laser light in a quantum regime is investigated for self-interference in a Mach-Zehnder interferometer, and the results are compared with its classical version. The resulting equivalent results support the Born rule tests, where the classical interference originates in the superposition of individual single-photon self-interferences. This understanding sheds light on the fundamental physics of quantum features between bipartite systems.
Variability of column ozone dependence on ODSs and GHGs: 500-member ensemble simulations
Authors: Akiyoshi Hideharu , Kadowaki Masanao , Yamashita Yousuke , Nagatomo Toshiharu 
Published: November 2022

Abstract
State-of-the-art chemistry–climate models (CCMs) have indicated that a future decrease in ozone-depleting substances (ODSs) combined with an increase in greenhouse gases (GHGs) would increase the column ozone amount in most regions except the tropics and Antarctic. However, large Arctic ozone losses have occurred at a frequency of approximately once per decade since the 1990s (1997, 2011 and 2020), despite the ODS concentration peaking in the mid-1990s. To investigate this contradiction, CCMs were used to conduct 24 simulations using 500-member ensembles, with ODS and GHG concentrations set based on predicted values for future years. The 50 ensemble members with the lowest column ozone in the mid- and high latitudes of the Northern Hemisphere showed a clear ODS dependence associated with low temperatures and a strong westerly zonal mean zonal wind. Even with high GHG concentrations, several ensemble members showed extremely low spring column ozone in the Arctic when ODS concentration remained above the 1980–1985 level. Hence, ODS concentrations should be reduced to avoid large ozone losses not only in the Antarctic, but also in the presence of a stable Arctic polar vortex in the mid- and high latitudes of the Northern Hemisphere.