bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular dynamics and docking studies on potentially active natural phytochemicals for targeting SARS-CoV-2 Main Protease
Authors: KS Sandhya , Nair Achuthsankar S.
Published: March 2022

In this study, we screened eighty seven novel phytochemical compounds and identified the best for targeting the main protease (Mpro) receptor of SARS-CoV-2. Interestingly, the studied phytochemicals are present in four natural herbs namely, Aegle Marmelos, Coleus Amboinicus, Aerva Lanta and Biophytum Sensitivum. After categorizing all the phytochemicals based upon LibDock scores, we identified six compounds with scores over 120, namely, Ervoside, Epoxyaurapten, Epicatechin, Feruloyltyramine, Marmin and Aegelinosides B. Among them Aegelinosides B leads with a very high LibDock value of 142.50 (binding energy: -8.54 kcal/mol). We also made molecular dynamics simulations for the best six systems and explored their structural stability (RMSD), Cα fluctuations (RMSF), intermolecular hydrogen bond interactions, effect of solvent accessibility (SASA) and compactness (Rg) factors. Satisfactory ADMET and druglikeness features were found for all these compounds and we therefore strongly propose the initiation of trial studies on these compounds for fighting SARS-CoV-2.
Magnetic, Synergistic interaction of SnO2/ZnFe2O4 nanocomposite participated catalytic degradation performance of coordination complex under UV illumination
Authors: D Venkatesh , R Silambarasan , K Anbalagan
Published: March 2022

Magnetic, cost-effective heterojunction SnO2/ZnFe2O4 nanocomposites synthesized through simple one-pot hydrothermal technique and its phase formation, microstructure, morphology, chemical states and magnetism examined by various characteristics. The photoconversion of mixed ligand involved cis-[CoIII(en)2(Im)Cl]Cl2 by SnO2/ZnFe2O4 nanocomposite showed efficient catalytic activity compared to the bare SnO2 and ZnFe2O4 nanoparticles under the wavelength of 254 nm and 365 nm in water and binary solvents system. SnO2/ZnFe2O4 heterojunction photocatalyst shown enhanced electron donor-acceptor capacitance, excellent suppression of recombination of e-/h+ pairs and efficient generation of photogenerated reactive species. The rate constant (k) of SnO2/ZnFe2O4 (0.0540 sec-1) is higher than the SnO2 (0.0160 sec-1) and ZnFe2O4 (0.157 sec-1) in H2O:PriOH (70:30%) than remain solvents system in catalytic reduction of complex. The photoactive mechanism of cis-[CoIII(en)2(Im)Cl]Cl2 by SnO2/ZnFe2O4 nanocomposite and its corresponding bare nanoparticles were discussed in detail.
Genetic etiology and obstetric outcome analysis of fetal cystic hygroma in a single-center study
Authors: Cai Meiying , lin min , su Linjuan , wu Xiaoqing , xie Xiaorui , ji Qingqiang , xu liangpu , lin na , huang Hailong
Published: March 2022

Cystic hygroma (CH) is a somewhat common observation in prenatal ultrasounds; however, there is no consensus regarding the clinical management of fetuses with CH. A retrospective analysis was performed on 40 pregnant patients whose fetuses had CH from November 2016 to June 2021. Villus, amniotic fluid, or umbilical cord blood samples were collected according to the corresponding gestational age for karyotype analysis and single-nucleotide polymorphism array (SNP-array). Among the 40 fetuses with CH, 16 (40.0%, 16/40) exhibited isolated CH and 24 (60.0%, 24/40) exhibited CH combined with other ultrasound abnormalities. The most common CH-comorbid ultrasound abnormalities in this study were congenital heart disease (25.0%, 6/24), followed by thickened nuchal translucency (20.8%, 5/24), and fetal edema (12.5%, 3/24). After karyotype and SNP-array analysis, an overall detection rate of 30.0% (12/40) was achieved. Using karyotype analysis, eight cases of pathogenic copy number variations (CNVs) were detected, among which 45, X was the most common. In addition to the above pathogenic CNV, four additional cases of pathogenic CNVs were detected by SNP-array. There was no significant difference in pathogenic CNVs of isolated CH and CH combined with other ultrasound (31.3% vs. 29.2%, P = 1). Karyotype analysis and SNP-array results influence whether fetal parents terminate pregnancy. When genetic abnormalities are detected in the fetus, the parents often choose to terminate the pregnancy. Genomic examination should be performed on fetuses with CH to confirm the etiology as soon as possible. During genetic counseling, all fetal characteristics should be carefully and comprehensively evaluated.
OptNCMiner: A deep learning approach for the discovery of natural compounds modulating disease-specific multi-targets
Authors: Shin Seo Hyun , Oh Seung Man , Park Jung Han Yoon , Lee Ki Won , Yang Hee
Published: March 2022

Background: Due to their diverse bioactivity, natural product (NP)s have been developed as commercial products in the pharmaceutical, food and cosmetic sectors as natural compound (NC)s and in the form of extracts. Following administration, NCs typically interact with multiple target proteins to elicit their effects. Various machine learning models have been developed to predict multi-target modulating NCs with desired physiological effects. However, due to deficiencies with existing chemical-protein interaction datasets, which are mostly single-labeled and limited, the existing models struggle to predict new chemical-protein interactions. New techniques are needed to overcome these limitations.Results: We propose a novel NC discovery model called OptNCMiner that offers various advantages. The model is trained via end-to-end learning with a feature extraction step implemented, and it predicts multi-target modulating NCs through multi-label learning. In addition, it offers a few-shot learning approach to predict NC-protein interactions using a small training dataset. OptNCMiner achieved better prediction performance in terms of recall than conventional classification models. It was tested for the prediction of NC-protein interactions using small datasets and for a use case scenario to identify multi-target modulating NCs for type 2 diabetes mellitus complications.Conclusions: OptNCMiner identifies NCs that modulate multiple target proteins, which facilitates the discovery and the understanding of biological activity of novel NCs with desirable health benefits.
Production of sealed rod sources made from epoxy resin for the Saint-Petersburg brick phantom for the calibration of whole-body counters
Authors: Woidy Patrick , Meisenberg Oliver
Published: March 2022

Rod sources are a common tool for the calibration of whole-body counters in combination with the Saint-Petersburg brick phantom. A method for the production of such sources in ordinary radiochemical laboratories is presented. The sources consist of a tubular capsule of rigid polyvinyl chloride with a radioactive filling of epoxy resin. The method allows the production of sources at material costs of 1 € per source and of 10 sources by one person per day. Quality-assurance measurements were performed regarding the spatial distribution of the activity within the sources and the distribution of the activity throughout a set of sources. The relative double standard deviation of the activities of 5 different segments of single sources was 7.1%. The relative double standard deviation within a set of 90 sources was 2.8% after those 11% of sources with the greatest deviation from the arithmetic mean were discarded. Tests according to ISO 2919 to certify the sources as sealed sources of Class 2 of this standard were successfully conducted. The bending test proved to be the most critical test for the sources; the sources were broken by a mass of 12 to 14 kg, which is only slightly more than the stipulated mass of 10.2 kg.
Clinical Evaluation of The Efficacy of Femtosecond Laser-Assisted Anterior Lamellar Keratoplasty with Long-Term Follow-Up.
Authors: Wylęgała Adam , Kokot Joanna , Roszkowska Anna M , Dobrowolski Dariusz , Wylęgała Edward
Published: March 2022

Introduction: To evaluate the clinical outcome, efficacy, and safety of femtosecond laser-assisted anterior lamellar keratoplasty. Material and Methods: In this prospective study, 32 patients (21M and 10F) aged from 15 to 62 years (mean 38.5) with different pathologies of the anterior corneal layers were enrolled for anterior lamellar keratoplasty using femtosecond laser VisuMax (Carl Zeiss, Germany). All patients were examined for uncorrected (UCVA) and best-corrected (BCVA) distance and near visual acuity, astigmatism, endothelial cell density, corneal thickness, and intraocular pressure. These examinations were performed before transplantation, at hospital discharge, and after 3 and 12 months. The mean follow-up time was 65.36 ± 28.54 months. Results: Statistically significant improvement of both UCVA and BCVA for distance and near vision was registered. BCVA improved from 0.11 preoperatively to 0.168 (p = 0.03), 0.267 (p < 0.01) and 0.472 (p < 0.01) on the hospital discharge day, 3 months and 12 months respectively. There were no statistically significant differences in astigmatism, intraocular pressure, endothelial cell density, and corneal pachymetry as compared preoperative and postoperative values. Six patients (19%) had a graft failure with a rate of 33% at 26 months. Conclusions: Femtosecond laser-assisted anterior lamellar keratoplasty is a safe and effective surgical method, providing satisfactory graft survival rates.
Long non-coding RNA HOTAIR regulates the stemness of breast cancer cells via activation of NF-κB signaling pathway
Authors: Wang Jiajia , Liu Xingzhu , Li Ping , Wang Junrong , Shu Yu , Zhong Xinyu , Gao Zhen , Yang Jingyi , Jiang Yashuang , Yang Geng
Published: March 2022

Background: Breast cancer is the most prevalent common disease among women, and it is characterized by a high rate of tumor development and heterogeneity. Breast cancer stem cells (CSCs) may well contribute to the these pathological properties, but the mechanisms underlying their self-renewal and maintenance are still elusive. Methods: Breast cancer stem cells (BCSCs) were isolated using flow cytometry. Both in vitro and in vivo functional assays were performed to investigate the role of HOTAIR in tumorigenic activity and stemness maintenance of BCSCs. Real-time PCR, Western blot, RNA pull down, RNA immunoprecipitation (RIP) and ChIP assays were carried out to reveal the pathways that how HOTAIR regulated stemness of BCSCs through NF-κB pathway. Results: Here, we discover the long noncoding RNA HOTAIR that is highly expressed in breast CSCs. HOTAIR is required for breast CSC self-renewal and tumor propagation. Mechanistically, HOTAIR recruits the PRC2 to the promoter of IκBα to inhibit its expression, leading to activation of NF-κB signaling pathway. The activated NF-κB signaling promotes downstream c-Myc and Cyclin D1 expression. The IκBα level, as well as the survival rate of patients, with high HOTAIR expression was significantly lower than that of patients with relatively low HOTAIR in clinical samples. Our data suggest that HOTAIR-mediated NF-κB signaling primes breast CSC self-renewal and tumor propagation. Conclusions: In sum, we have identified HOTAIR-based NF-κB signaling regulatory circuit that promotes tumorigenic activity in breast cancer stem cells, further indicating that HOTAIR could be a promising target for clinical treatment of breast cancers.
Associations of dietary folate, vitamin B6 and B12 intake with cardiovascular outcomes in 115664 participants: a large UK population-based cohort
Authors: Zhang Bo-Ya , Dong Hao-Yu , Xu Ying , Xu Duo , Sun Hong-peng , Han Li-yuan
Published: March 2022

Background & Aims
: The evidence of relationship between dietary intake of folate, vitamin B6 and vitamin B12 and cardiovascular diseases(CVD) in UK populations is limited. We aimed to analyze the association of dietary intake of folate, vitamin B6, and vitamin B12 with CVD events [stroke, myocardial infarction(MI)] and CVD mortality.
Methods
We included 115664 participants, aged 40–70 years, with no CVD events or cancer at baseline, enrolled between 2006 and 2010 and followed up to the end of 2018. Dietary intake was measured with an online 24-hour dietary assessment. Multivariable Cox proportional hazards models were used to estimate hazard ratios (HR) and 95% confidence intervals (CI) for the associations.
Results
After multivariate adjustment, higher dietary folate intake was associated with a lower risk of CVD events [HR per standard deviation(SD) 0.95, 95% CI 0.93 to 0.98], stroke (HR per SD 0.95, 95% CI 0.91 to 0.99), MI(HR per SD 0.94, 95% CI 0.91 to 0.98),CVD mortality(HR per SD 0.90, 95% CI 0.83 to 0.97). Each tablespoons/day higher intake of raw vegetable intake, pieces/day higher intake of fresh fruit intake and bowls/week higher intake of cereal intake were associated with higher intakes of of folate every 0.02,0.06 and 0.05 SD, respectively. E-value analysis suggested robustness to unmeasured confounding.
Conclusion
Each increase in folate intakes was related to 5% lower risks of total CVD events and 10% lower risks of CVD mortality. Our findings support that strengthening dietary folate intake as a primary prevention strategy for CVD events and CVD mortality.
Effect of elevated ozone on soybean (Glycine max L.) cultivar: Role of orange juice and synthetic ascorbic acid
Authors: Chaudhary Indra Jeet , Nigam Bhavna , Rathore Dheeraj
Published: March 2022

Ozone is a kind of hazardous gas for the environment and negatively affects the plant and human health. These days, phytoextracts are commonly used as a source of bioactive compounds for reducing the detrimental environmental effects on plants. In presented study, soybean cultivar JS-335 was used for assessment of protective role of synthetic ascorbic acid (SAA) and orange juice (25 % orange juice, enriched ascorbic acid) under ozone stress conditions. The results showed that under ozone stress soybean cultivar JS-335 reduced growth, biomass and also negatively affects the biochemical properties of plants due to these changes finally caused yield losses. Foliar-applied OJ >and SAA were found to be very effective in improving plant growth and development and also increased the yield of the crop. It was discovered that a 25% OJ coupled with ascorbic acid and other essential nutrients and biomolecules was almost as effective as a 100 ppm SAA in reducing the harmful effects of ozone stress on soybean plants. As a result, it was determined that OJ, a less expensive source of ascorbic acid, can be used to improve ozone resistance in plants in ozone-prone areas.
Comparison of LSM Indexing Techniques for Storing Spatial Data
Authors: Mao Qizhong , Qader Mohiuddin Abdul , Hristidis Vagelis
Published: March 2022

In the pre-big data era, many traditional databases supported spatial queries via spatial indexes. However, modern applications are seeing a rapid increase of the volume and ingestion rate of spatial data. LSM tree is used by many big data systems as their storage structure in order to support write-intensive large-volume workloads, which are usually only optimized for single-dimensional data. Research has studied how spatial indexes can be supported on LSM systems, but focused mainly on the local index organization, that is, how data is organized inside a single LSM component. In this paper, we study various aspects of LSM spatial indexing, including spatial merge policies, which determine when and how spatial components are merged. We consider three stack-based and one leveled merge policies, which we have implemented on the same big data system Apache AsterixDB. We evaluate the write and read performance on various workloads and discuss our findings and recommendations. A key finding is that Leveled policies are under-performing other stack-based merge policies for most types of spatial workloads.
Femtosecond Laser Induced Surface Damage and Ablation of Tungsten and Tungsten Carbide in High Heat Flux Conditions
Authors: Seo Minsuk , Yu Shukai , Gopalan Venkatraman , Winfrey A. Leigh
Published: March 2022

Tungsten and tungsten carbide were exposed to high heat flux (29.8-59.6GW/m2) using a femtosecond laser with different incident angles (0°, 30°, 45°, 60°). The total heat flux was accumulated through laser pulses in ambient air. The aim of these experiments was to simulate the high heat flux conditions and oxidation to show the surface damage and ablation in harsh environments. At 1–8 laser pulses numbers, the tungsten surface was more durable than tungsten carbide, but at very high pulse numbers (~ 5,200) the opposite was true. Due to laser induced plasma formation, the surface damage mostly took the form of craters that were near-circular at low impact angles and more elongated at higher angles. A cluster of tungsten oxide debris also formed on the tungsten surfaces. Laser Induced Periodic Surface Structures (LIPSS) and grooves were formed during laser exposure, and their geometries vary with laser intensity and with laser impact angle. The period of laser induced surface changes increased for both tungsten and tungsten carbide surfaces as the incident angle increased. More mass was lost in from tungsten than tungsten carbide, which agrees on the morphological responses. The mass loss by laser ablation overwhelmed the possible mass gains from surface oxidation.
Stimulus Effect of Solvents on Cadmium Sulfide Quantum Dots Prepared for Solar Cell Application
Authors: Abinaya S. , Vinoth G. , Kadiresan Mohan Rangam
Published: March 2022

Cadmium Sulfide quantum dots were prepared in three solvents such as distilled water, ethanol, and isopropyl alcohol respectively. Solvent dependence of cadmium sulfide quantum dots was investigated under XRD, TEM, UV, PL, and I-V characteristics. The results showed CdS quantum dots with sizes ranging from 7.5 nm, 8.2 nm, and 9 nm which enabled the control of the optical properties and consequently the solar cell performance. The optical absorption spectrum was observed near the ultra-violet region. Absorbance spectra reveal that there is a blue shift in the absorbance as the quantum dot size decreases due to the quantum confinement effect. For photoluminescence spectra, the emission peaks were observed at 430 nm, 468 nm, and 470 nm respectively. Among the solvents, cadmium sulfide quantum dots prepared with ethanol has the highest power conversion efficiency of 0.68%.
Variation characteristics of soil temperature, moisture and heat flux in the understorey of evergreen broadleaf forest in South China
Authors: Wu Shuting , Wei Zhigang , Li Xianru , Wang Huan , Guo Shitong
Published: March 2022

Based on observation data from the observation tower station in Zhuhai in South China from October 2015 to May 2018, the variations in soil temperature, moisture and heat flux in the understorey of evergreen broadleaf forest are analysed. The ground and canopy surface temperature, soil temperature and soil heat flux fluctuate with the seasons. The ground surface temperature is slightly greater than the canopy surface temperature, but the soil temperature is smaller. The seasonal variation in the soil moisture fluctuates around a relative equilibrium as the rain increases or decreases. Both ground and canopy surface temperatures have valley values before sunrise and peak values in the afternoon. The diurnal variations in soil temperature are characterized by a cosine function. With the deepening of the soil layer, the time of valley and peak lag and the amplitude of the variation in the soil temperature decrease. There is almost no diurnal variation in soil temperature at 40 cm depth or the soil heat flux at 30 cm depth. The heat fluxes at depths of 7.5 cm and 15 cm show an 'S' pattern variation, with a peak at 17:30. The net radiation of the canopy surface shows a bell-shaped variation, with a peak at 12:30. On average, the peak of the soil heat flux lags behind the peak of the canopy net radiation by approximately 5 hours. The averaged soil thermal conductivities are 2.18 W·m− 1·K− 1, 1.22 W·m− 1·K− 1 and 1.26 W·m− 1·K− 1 for 5 ~ 10 cm, 10 ~ 20 cm and 20 ~ 40 cm depths, respectively.
Structural characterization of a soil viral auxiliary metabolic gene encoding a functional chitosanase
Authors: Wu Ruonan , Smith Clyde A. , Buchko Garry W. , Blaby Ian K. , Paez-Espino David , Kyrpides Nikos C. , McDermott Jason E. , Hofmockel Kirsten S. , Yoshikuni Yasuo , Cort John R. , Jansson Janet K.
Published: March 2022

Metagenomics is unearthing the previously hidden world of soil viruses1,2. Many soil viral sequences in metagenomes contain putative auxiliary metabolic genes (AMGs) that are not associated with viral replication. To date only one soil viral AMG has been expressed3 and none has a solved structure. Here, we aimed to establish that AMGs on soil viruses actually produce functional, active proteins. We focused on AMGs that potentially encode chitosanase enzymes that metabolize chitin – a common carbon polymer. Glycoside hydrolase family 75 viral chitosanase genes were identified from environmental metagenomes. Several of these were expressed and functionally screened. One expressed protein showing endo-chitosanase activity (V-Csn) was crystalized and structurally characterized at ultra-high resolution, thus representing the first structure of a soil viral AMG product. A structure for an inactive mutant with a bound substrate (chitosan oligomer) was also determined. Conserved active site residues in V-Csn resided in a cleft between two domains. These structures provided details about the active site, and together with structure models determined using AlphaFold2, facilitated understanding of substrate specificity and enzyme mechanism. These findings support the hypothesis that soil viruses contribute auxiliary functions to their hosts. Soil viral chitosanase AMG products that assist chitin decomposition may therefore play a previously unrecognized essential role in soil carbon cycling.
Enhancement of resistance against fungal pathogens in peanut (Arachis hypogaea L.) cultivar L14 by heterologous expression of gene encoding chitinase 42 kDa from Trichoderma asperellum SH16
Authors: Hoa Phung Thi Bich , Tue Nguyen Hoang , Trang Huynh Thi Quynh , Thu Hoang Anh , Nhung Le Ngoc Huyen , Luong Nguyen Ngoc , Huy Nguyen Xuan , Tien Nguyen Quang Duc , Loc Nguyen Hoang
Published: March 2022

This study reports the expression of the 42 kDa chitinase genes from Trichoderma asperellum SH16 in peanut (Arachis hypogaea) roots under the regulation of tissue-specific Asy promoter through Agrobacterium tumefaciens-mediated transformation. The 42 kDa chitinase genes, including one wild-type sequence (Chi42) and two synthetic sequences (syncodChi42-1 and syncodChi42-2) which were optimized for codon usage for plant expression, were incorporated into the peanut genome and successfully expressed in their roots. The investigation revealed that chitinase from two synthetic genes had higher activity than that from the wild-type gene, about 901 U/mg (140 U/mL) and 1124 U/mg (197 U/mL) vs about 739 U/mg (105 U/mL), respectively. Transgenic peanut roots also exhibited extracellular chitinase activity which was driven by signal peptide of rice amylase 3D gene against the pathogenic fungus Sclerotium rolfsii under in vitro conditions. The higher chitinase activity of two synthetic genes in peanut roots promises potential applications in the field of transgenic crops against phytopathogenic fungi.
Portuguese Physical Literacy Assessment Observation (PPLA-O) for adolescents (15-18 years) from grades 10-12: development and initial validation through Item Response Theory
Authors: Mota João , Martins João , Onofre Marcos
Published: March 2022

Background
Aims of these studies were to develop the PPLA-Observation instrument (PPLA-O) to assess the physical and part of cognitive domain of Physical Literacy through data collected routinely by Physical Education (PE) teachers; and assess the construct validity (dimensionality, measurement invariance, and convergent and discriminant validity) and score reliability of one of its modules (Movement Competence, Rules and Tactics [MCRT]).
Methods
Content analysis of the Portuguese PE syllabus and literature review were used for domain identification of the PPLA-O. Multidimensional Item Response Theory (MIRT) models were used to assess construct validity and reliability, along with bivariate correlations in a sample of 515 Portuguese grade 10–12 students (Mage = 16, SD = 1).
Results
PPLA-O development resulted in an instrument with two modules: MCRT (22 physical activities) and Health-Related Fitness (5 protocols); both assessed with teacher-reported data entered in a spreadsheet. A two correlated dimensions Graded Response Model (Manipulative-based Activities [MA], and Stability-based Activities [SA]) showed best fit to the MCRT data, suggesting measurement invariance across sexes, and adequate to good score reliabilities (MA = .89, and SA = .73). There was a moderate to high correlation (r = .68) between dimensions, and boys had higher scores in both dimensions. Correlations among MCRT scores and HRF variables were similar in magnitude to previous reports in meta-analysis and systematic reviews.
Conclusions
The resulting PPLA-O is composed of two modules that integrate observational data collected by PE teachers into a common frame of criterion-referenced PL assessment. While the HRF module makes use of data collected through widely validated FITescola® assessment protocols, the MCRT makes use of teacher-reported data collected in a wide range of activities and movement pursuits to measure movement competence and inherent cognitive skills (Tactics and Rules). We also gathered initial evidence supporting construct validity and score reliability of the MCRT module. This highly feasible instrument can be used to provide Portuguese grade 10–12 (15–18 years) PE students with feedback on their PL journey, along with the other instrument of PPLA (PPLA-Q). Further studies should focus on assessment of inter and intra-rater reliability and criterion-related validity of its two modules.
Tweets Matter: Quantifying the Spatio-Temporal Relationship Between Social Media Activism and Physical Protest
Authors: Nicoletti Leonardo , Verma Trivik , Santi Paolo , Warnier Martijn
Published: March 2022

Throughout history, social movements have often been catalysts for radical societal change. In the past two decades, hashtag activism, the use of social media platforms for internet activism, has become a driving force behind the development of social movements across the world. In the field of social movements science, a large body of research has studied the role of hashtag activism for the formation of social movements, but less efforts have been allocated towards the study of the spatio-temporal relationship that exists between hashtag activism and political mobilization processes. In this study, a large geo-located social media dataset pertaining to the #JusticeForGeorgeFloyd social movement is used to quantify the spatio-temporal relationship between hashtag activism and physical protest activity. Results of this study indicate that at the national, state, and county scale, hashtag activism bears a strong positive temporal relationship with physical protest activity. Through the statistical modeling of this relationship, it is possible to predict the intensity of national, state, and county level protest activity on a given day based on the intensity of state and county level social movement related tweet counts the day before. At smaller scales (i.e. county), however, this research finds that the strength of this relationship is more variable, and it appears to be strongly dependent on population density. As such, this study reveals the existence of a critical population density threshold of 200 people/km2 , at which an increase in the number of social movement related tweets is likely to spark with an increase in the number of physical protests. These results represent novel insights that further contribute to our understanding of the complex spatio-temporal political mobilization processes that occur during social movements.
Effect of fish and soybean oils feed supplementation on the characteristic of Romanov crossbred lamb meat
Authors: KORKMAZ MUZEYYEN KUTLUCA
Published: March 2022

This study was conducted to investigate the effects of roughage and/or fattening feed rations and CLA-rich fish oil and soybean-supplemented diets on meat quality parameters (pH, color and fatty acids) of crossbred Romanov lambs. As compared to the control group, soybean and fish oil-supplemented groups had almost 3 times greater feed conversion ratios. The amount of feed consumed for 1 kg of live weight during the fattening period was 4.77 kg in the soybean oil-supplemented group, 5.70 kg in the fish oil-supplemented group and 13.33 kg in the control group. In terms of M. longissimus dorsi (MLD) area and thickness, treatment groups all had similar values. Soybean and fish oil-supplemented groups had superior pH and color (L*, a*, b*) values. In the thiobarbituric acid (TBA) test, measuring malonaldehyde (MDA) produced due to the oxidation of fatty acids, results revealed that soybean and fish oil-supplemented groups yielded more ideal outcomes for TBARS values and fatty acid profiles.
OBSERVAÇÃO DE HOMODÍMERO DO TIPO BIS-1,3-BENZODIOXONA SINTETIZADO VIA METÁTESE DE OLEFINAS DA PIPERINA CATALISADA POR PRÉ-CATALISADORES DE RU(II) NÃO COMERCIAIS
Authors: Fernandes Kerlane , França Aline , Costa Ana , Silva Eliada , Lima-Neto Benedito , Batista Nouga , Sá José
Published: March 2022

OBSERVATION OF BIS-1,3-BENZODIOXONE TYPE HOMODIMER SYNTHESIZED VIA PIPERINE OLEFIN METATHESIS CATALYZED BY NON-COMMERCIAL Ru(II) PRE-CATALYSTS. LN-1 and LN-2 are two Ru(II) complexes coordinated to the phosphine and amines simultaneously, each with two chlorides. PPh3 is the phosphine and the amine is piperidine (LN-1) and perhydroazepine (LN-2). The two compounds are complexes five-coordinated square pyramidal geometry, with the amine in the axial plane. LN-1 and LN-2 were tested for the first time as initiator for piperine self-metathesis olefin. The system variables chosen to this study were the reactional time (24, 48 and 72 h), catalyst:substrate ratio (1:1 and 1:10 mol) and temperature (25 e 50 ºC). Results were analyzed by GC-ME. None olefin metathesis product was noted in the experiments to 25 ºC for until 72 h, in any catalyst:substrate ration. However, to 50 ºC for 72 h, olefin metathesis product from piperine was observed. LN-1 presented yield of c.a. 29% of product in the mixture and LN-2 were c.a. 39%. The product is interesting and unheard, it has two 1,3-benzildiaxine groups, interleaved for one unsaturated carbon chain. In the experiments with catalyst:substrate ratio of 1:10 mol there was no product formation. The results were discussed in function of the electronic and steric properties of the ancillary ligand of LN1 and LN-2.
SYNTHESIS OF GLYCEROL-FLUORINATED TRIAZOLE DERIVATIVES AND EVALUATION OF THEIR FUNGICIDAL ACTIVITY
Authors: Barcelos Fernando , Silva Lucas , Gazolla Poliana , Teixeira Róbson , Queiroz Vagner , Morais Pedro , Fonseca Victor , Romão Wanderson , Lacerda Júnior Valdemar , Scherer Rodrigo , Oliveira Fabrício , Praça-Fontes Milene , Costa Adilson
Published: March 2022

The control of fungal species in agriculture is mainly conducted with the use of contact or systemic fungicides. However, environmental and human health concerns and increased resistance of fungal species to existing fungicides have increased the pressure on researchers to find new active ingredients for fungal control which present low toxicity to non-target organisms, are environmentally safe, and can be applied at very low concentrations. It is herein described the synthesis of eleven glycerol triazole containing compounds (ten of them fluorinated derivatives) and evaluation of their fungicidal activity. Eight out of eleven synthesized compounds are novel and all of the glycerol derivatives were characterized using infrared (IR), nuclear magnetic ressonance (NMR), and mass spectrometry (MS) techniques. Theoretical calculations were also carried out and the results are discussed. Starting from glycerol, the triazole derivatives were prepared in four steps. Evaluation of them against Colletrotricum gloesporioides showed that compound 1-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-4-(2-fluorophenyl)-1H-1,2,3-triazole (4d) (ED50 = 59.14 µg mL-1) was slightly more active than commercial fungicide tebuconazole (61.35 µg mL-1). Compound 4d presented attractive physicochemical features for agrochemical purposes as revealed by the calculated physicochemical parameters. It is believed that glycerol-fluorinated triazole derivatives can be explored towards the development of new chemicals for the control of fungal species.
EFFECT OF MERCURY EXPOSURE ON U1-70 KDA PROTEIN EXPRESSION IN EMBRYOS OF BLACK BEAN (Phaseolus vulgaris L.)
Authors: Michel-López Claudia , Delgadillo-Ruíz Lucía , Cabral-Arellano Francisco , Esparza-Ibarra Edgar , Flores-Garivay Rodrigo
Published: March 2022

Exposure to heavy metals has been documented to induce changes in the expression of plant proteins. Phaseolus vulgaris L., represents a great source of nutrition for millions of people, and is the second most important legume crop. The present study aimed to investigate the effects of Hg stress on germination rate and identify the gene expression profiling of U1-70 kDa by using SDS-PAGE analysis. Seeds of black beans (P. vulgaris L.) variety Jamapa were used. The study was performed in the municipality of Guadalupe in Zacatecas, México; August 2009 to 2011. Embryos were exposed to 10 µmol L-1 HgCl2. Expression and detection of U1-70 kDa was affected by mercury. It was possible to amplify the cDNA for U1-70 kDa in all tested samples, there were also found variations in the mRNA of embryos bean seeds for western blot analysis. Mercury does not affect the germination of bean seeds P. vulgaris L.; there is variation in the expression of the U1-70 kDa protein at different hours of exposure to 10 µmol L-1 of mercury. The presence of U1-70 kDa is identified for the first time in early stages of germination of bean seeds P. vulgaris L.
Smart pressure management extension for EPANET: source code enhancement with a dynamic pressure reducing valve model
Authors: Koşucu Mehmet Melih , Demirel Mehmet Cüneyd
Published: March 2022

Applying pressure management reduces lost water and excessive hydraulic pressures in water distribution networks (WDNs). There are currently four different types of pressure management in the literature, i.e. fixed outlet, time modulated, flow modulated, and remote node modulated. The primary device used in pressure management is the pressure reducing valve (PRV) that dynamically controls the outlet pressure by moving up and down its main valve element. In this study, we firstly introduce the dynamic PRV model with four different pressure management types to the source code of EPANET v3.1 software and assess the effect of different valve opening schemes on pressure graphs and leakage quantities. The results showed that dynamic PRV significantly reduces lost water amounts and excessive hydraulic pressures in the WDN when valve opening is continuously adjusted. Our smart PM extension implemented into EPANET v3.1 software is publicly available in Zenodo repositories (https://zenodo.org/record/6243078).
Performance of tidal and non-tidal mangrove constructed wetlands in treating maricultural wastewater
Authors: Zhang Tingfeng , Liu Chaoxiang , Wei Lili , Tian Shaohua , Li Jie , Ndayambaje Patrick , Huang Xu , Liu Lin , Ndagijimana Pamphile
Published: March 2022

This study aims to evaluate the removal efficiency of nitrogen and phosphorus in the tidal and non-tidal constructed wetlands with typical mangrove (Aegiceras corniculatum) as a wetland plant model to treat simulated marine wastewater. The results showed that the average removals of NO2−-N, NO3−-N, NH4+-N, TN and TP were 88.4, 80.5, 81.4, 79.7 and 40.8%, respectively, in the non-tidal subsurface flow (HF) mangrove wetland, and 65.3, 61.3, 90.6, 60.1 and 19.2% in the tidal (TF) mangrove wetland, and 11.4, 64.6, 68.7, 56.6 and 16.3% in the non-tidal free water surface (FWS) mangrove wetland, respectively. Moreover, it was observed that the composition of microbial communities in the HF mangrove wetland was beneficial to the nitrogen cycle and has more quantitative associations of N-metabolism genes. The results indicated that non-tidal HF mangrove wetland has a stable and an effective capacity for potential treatment of marine wastewater compared with the non-tidal FWS mangrove wetland and tidal TF mangrove wetland.
Analysing the effect of information redundancy on the dependability indicators of distributed information systems
Authors: Kulba V. V. , Somov S. K. , Shelkov A. B.
Published: March 2022

Aim. The paper analyses the effect of information redundancy on the functional dependability indicators of distributed automated information systems. Information redundancy in the form of hot standby and HDD archives located in the system nodes is examined. Methods. The concepts of the probability theory and Markov processes are employed. Results. Indicators of operational dependability of distributed information systems and the effect of operational and recovery redundancy of data sets on these indicators are analysed. The paper analyses the efficiency of three backup strategies in distributed systems. Conclusions. Using information redundancy significantly improves the dependability and operational efficiency of distributed systems. At the same time, this type of redundancy requires a certain increase in operating costs.
Desenvolvimento, modelagem matemática e simulação de um braço robótico acionado por CLP
Authors: Bessa Neto Luiz José de , Batista Josias Guimarães , Lima Marcello Anderson F. B. , Leite Josileudo Rodrigues , Silva Antônio Neilton da
Published: March 2022

O presente trabalho apresenta o desenvolvimento do protótipo de um manipulador robótico acionado por um CLP - Controlador Lógico Programável, bem como a sua modelagem matemática. O manipulador apresenta dois graus de liberdade, o qual permite a movimentação e deslocamento de peças mecânicas, ferramentas e objetos em geral de pequeno porte, através de um sistema eletroeletrônico. Nessa conjuntura, o objetivo é fazer a modelagem matemática da cinemática (direta, inversa e diferencial), bem como da dinâmica do manipulador robótico. Consoante a isso, pretende-se realizar a simulação da geração de trajetórias no MATLAB® do robô para descrever a translação e rotação entre dois links adjacentes do mesmo através dos parâmetros de Denavit-Hartenberg. Fundamentado na modelagem matemática, bem como nos resultados obtidos na simulação, conclui-se que o manipulador robótico desenvolvido neste estudo denota um grande potencial para desempenhar satisfatoriamente as funções de deslocamento e movimentação de peças mecânicas, ferramentas e objetos em geral no âmbito industrial, haja vista que o robô apresenta uma trajetória bem definida, com valores de velocidade e aceleração consideráveis.
Current Overview on the Potency of Natural Products for Modulating
Myeloid-derived Suppressor Cells Dependent Cold Tumors
Authors: Malla RamaRao , Pappu Lalitha , Amajala Krishna Chaitanya , Kamal Mohammad Amjad
Published: March 2022

Ample data pertaining to the use of MDSCs have been documented. However,
the potency of natural products in targeting MDSCs in the light of the tumor immune microenvironment
(TME) has not been discussed vividly. The current review is an amalgamation
of the documented literature pertaining to the effectiveness of various natural
products supported by in silico experimental data. The combination of bioinformatics to
wet bench experimentation with natural products against cancer specifically targeting
MDSCs can be a promising approach to mitigate cancer.
Efficacy of Flavonoids in Combating Fluconazole Resistant Oral Candidiasis
Authors: Srivastava Dipti , Yadav Aarti , Naqvi Salma , Awasthi Himani , Fatima Zeeshan
Published: March 2022

Background:

Candida is an opportunistic fungus often present in the oral mucosa. In the compromised
immune system, it may become pathogenic and cause oral candidiasis. This infection is more common
with Candida albicans; though, non-albicans Candida spp also have significant relevance. Current treatment
guidelines include polyenes, azoles and echinocandins, where fluconazole is the primary therapeutic option.
However, both inherited and acquired resistance to fluconazole is exhaustively reported. The development of
resistance has resulted in the worsening of the original and re-emergence of new fungal diseases. Thus, the development
of an anti-candidiasis therapy with a satisfactory outcome is the urgent need of the hour.

Objective:

This review article aims to stimulate research in establishing the synergistic efficacy of various flavonoids
with fluconazole to combat the resistance and develop an effective pharmacotherapy for the treatment
of oral candidiasis. Further, in this article, we discuss in detail the mechanisms of action of fluconazole, along
with the molecular basis of the development of resistance in Candida species.

Method:

PubMed and other databases were used for literature search.

Results:

The designing of natural drugs from the plant-derived phytochemicals are the promising alternatives in
modern medicine. The challenge today is the development of alternative anti-oral candidiasis drugs with increased
efficacy, bioavailability and better outcome which can combat azole resistance. Identifying the flavonoids
with potential antifungal action at low concentrations seems to meet the challenges.

Conclusion:

Phyto-active constituents, either alone or in combination with conventional antibiotics may be an
effective approach to deal with global antimicrobial resistance. The efficacy of herbal therapy for decades suggests
that bacteria, fungi, and viruses may have a reduced ability to adapt and resistance to these natural antimicrobial
regimes.
Comprehensive Analysis and Validation of Competing Endogenous RNA
Network and Tumor-infiltrating Immune Cells in Lung Adenocarcinoma
Authors: Zhu Hui , Liu Yang , Wu Qiuhong , Li Ji , Jia Wenxiao , Zhai Xiaoyang , Yu Jinming
Published: March 2022

Objective:

The potential pathogenesis of LUAD remains largely unknown. In the present
study, we evaluated the competing endogenous RNA (ceRNA) regulatory network and tumorinfiltrating
immune cells in LUAD.

Methods:

We obtained the RNA profiles and corresponding clinical information of LUAD patients
from the TCGA data portal, and identified differentially expressed mRNAs (DEmRNAs),
lncRNAs (DElncRNAs), and miRNAs (DEmiRNAs) between LUAD samples and normal controls
to build a ceRNA network. Additionally, the CIBERSORT algorithm was employed to analyze the
patterns of immune cell infiltration. Then, two survival-predicting models were constructed based
on the ceRNA network and tumor-infiltrating immune cells, which were validated by an independent
GEO dataset GSE50081. Moreover, the correlation between prognosis-related ceRNAs and
immune cells was also evaluated.

Results:

In total, 484 LUAD samples and 59 normal controls were included in this study, and 15
DEmiRNAs, 94 DEmRNAs, and 7 DElncRNAs were integrated to construct the ceRNA network
of LUAD. Meanwhile, differentially expressed tumor-infiltrating immune cells were also identified,
and the expressions of monocytes and regulatory T cells were related to the overall survival
(OS) of LUAD patients. Moreover, the prognostic prediction model based on ceRNA network or
tumor-infiltrating immune cells exhibited significant power in predicting the survival of LUAD patients.
Furthermore, co-expression analysis revealed that some prognosis-related ceRNAs, such as
CCT6A, E2F7, SLC16A1, and SNHG3, were positively or negatively correlated with several tumorinfiltrating
immune cells, such as monocytes and M1 macrophages.

Conclusions:

This study improves our understanding of the pathogenesis of LUAD and is helpful in
exploring the potential therapeutic targets and prognostic biomarkers for LUAD.
miR-199b-5p-AKAP1-DRP1 Pathway Plays a Key Role in ox-LDL-induced
Mitochondrial Fission and Endothelial Apoptosis
Authors: Li Yongjun , Cui Xiaolei , Tian Yingping , Zhao Yapei , Gao Hengbo , Yao Dongqi , Liu Liang
Published: March 2022

Background:

Atherosclerosis (AS) remains prevalent despite hyperlipidemia-lowering
therapies. Although multiple functions of miR-199b-5p have been implicated in cancers, its role in
endothelial apoptosis and AS remains unclear. This study aimed to examine the role of miR-199b-5p
in mitochondrial dynamics and endothelial apoptosis.

Methods:

Human umbilical vein endothelial cells (HUVECs) treated with oxidized low-density
lipoprotein (ox-LDL) were subjected to other treatments, followed by a series analysis. We found
that ox-LDL-treated HUVECs were associated with miR-199b-5p downregulation, increased reactive
oxygen species level, reduced adenosine triphosphate (ATP) production, mitochondrial fission,
and apoptosis, whereas enhanced miR-199b-5p expression or applied mitochondrial division inhibitor
1 (Mdivi-1) markedly reversed these changes.

Results:

Mechanistically, A-kinase anchoring protein 1 (AKAP1) was confirmed as a downstream
target of miR-199b-5p by dual-luciferase activity reporter assay. AKAP1 overexpression reversed
the anti-apoptotic effects of miR-199b-5p through the enhanced interaction of AKAP1 and dynamin
protein 1 (DRP1) in ox-LDL–treated HUVECs. Moreover, miR-199b-5p downregulation, AKAP1
upregulation, and excessive mitochondrial fission were verified in human coronary AS endothelial
tissues.

Conclusion:

The miR-199b-5p-dependent regulation of AKAP1/DRP1 is required to inhibit hyperlipidemia-
induced mitochondrial fission and endothelial injury and may be a promising therapeutic
target for AS.
Evaluating Potentials of Species Rich Taxonomic Groups in Cosmetics
and Dermatology: Clustering and Dispersion of Skin Efficacy of
Asteraceae and Ranunculales Plants on the Species Phylogenetic Tree
Authors: Hao Da-Cheng , Xiao Pei-Gen , Lyu Huai-Yu , Wang Fan
Published: March 2022

Background:

The medicinal properties of plants can be predicted by virtue of phylogenetic
methods, which nevertheless have not been utilized to explore the regularity of skin-related
bioactivities of ethnomedicinal plants. We aim to investigate the distribution of skin efficacy of Asteraceae
and Ranunculales plants on the species-level Tree of Life.

Methods:

The clinical efficacy data of 551 ethnomedicinal species belonging to Ranunculales, as
well as 579 ethnomedicinal species of Asteraceae, were systematically collected and collated; these
therapeutic data fell into 15 categories, including skin disease/cosmeceutical. The large phylogenetic
tree of all China angiosperm species was used to detect the phylogenetic signals of ethnomedicinal
plants by calculating the D statistic, phylogenetic diversity (PD), net relatedness index (NRI), and
nearest taxon index (NTI). Of all Chinese ethnomedicinal plants of Ranunculales and Asteraceae,
339 (61.5% of all ethnomedicinal species) and 382 (66.0% of all) are used for skin problems. In
Ranunculales, a clustered structure was suggested by the NRI value for skin uses. In Asteraceae, the
skin utility was not clustered; Artemisia, Aster, Cremanthodium, Ligularia, and Saussurea are the
most used Asteraceae genera for skin issues.

Results:

The clustering structure was identified in Artemisia, and the skin efficacy in other genera
was of overdispersion (NRI < 0). NTI values and D statistics largely agree with NRI. When compared
with PD values of different therapeutic categories, the PD value of the skin category was relatively
high in Cremanthodium, Ranunculales, Asteraceae, and Artemisia, suggesting the enormous
efficacy space in the new taxa of these taxonomic groups.

Conclusion:

By resolving the distribution of therapeutic effects of Ranunculales/Asteraceae taxa, the
importance of phylogenetic methods in mining botanical resources with skin utilities is validated.