bluuebunny/crossref_metadata_2025 huggingface dataset:
Elevated Monocyte to Lymphocyte Ratio and Increased Mortality among Patients with Chronic Kidney Disease Hospitalized for COVID-19
Authors: Dávila-Collado Ramsés , Jarquín-Durán Oscar , Solís-Vallejo Andrés , Nguyen Mai Anh , Espinoza J. Luis
Published: March 2021

Chronic kidney disease (CKD) constitutes a major health problem and one of the leading causes of death worldwide. Patients with CKD have impaired immune functions that predispose them to an increased risk of infections, as well as virus-associated cancers and a diminished vaccine response. In this study, we aimed to identify clinical and laboratory parameters associated with in-hospital mortality in patients evaluated in the department of emergency (ER) and admitted with the diagnosis of severe acute respiratory syndrome (SARS) caused by coronavirus disease 2019 (COVID-19) at the Baptist Hospital of Nicaragua (BHN). There were 37 patients with CKD, mean age 58.3 ± 14.1 years, admitted to BHN due to COVID-19, and among them, 24 (65.7%) were males (p = 0.016). During hospitalization, 23 patients with CKD (62.1%) died of complications associated with COVID-19 disease, which was a higher proportion (odds ratio (OR) 5.6, confidence interval (CI) 2.1–15.7, p = 0.001) compared to a group of 70 patients (64.8% males, mean age 57.5 ± 13.7 years) without CKD admitted during the same period in whom 28.5% died of COVID-19. In the entire cohort, the majority of patients presented with bilateral pneumonia, and the most common symptoms at admission were dyspnea, cough, and fever. Serum levels of D-dimer, ferritin and procalcitonin were significantly higher in patients with CKD compared with those without CKD. Multivariate analysis revealed that CKD, age (>60 years), and hypoxia measured in the ER were factors associated with increased in-hospital mortality. Among patients with CKD but not in those without CKD (OR 36.8, CI 1.5–88.3, p = 0.026), an increased monocytes-to-lymphocyte ratio (MLR) was associated with higher mortality and remained statistically significant after adjusting for confounders. The MLR measured in the ER may be useful for predicting in-hospital mortality in patients with CKD and COVID-19 and could contribute to early risk stratification in this group.
The Epidemiology and Genetics of Hyperuricemia and Gout across Major Racial Groups: A Literature Review and Population Genetics Secondary Database Analysis
Authors: Butler Faven , Alghubayshi Ali , Roman Youssef
Published: March 2021

Gout is an inflammatory condition caused by elevated serum urate (SU), a condition known as hyperuricemia (HU). Genetic variations, including single nucleotide polymorphisms (SNPs), can alter the function of urate transporters, leading to differential HU and gout prevalence across different populations. In the United States (U.S.), gout prevalence differentially affects certain racial groups. The objective of this proposed analysis is to compare the frequency of urate-related genetic risk alleles between Europeans (EUR) and the following major racial groups: Africans in Southwest U.S. (ASW), Han-Chinese (CHS), Japanese (JPT), and Mexican (MXL) from the 1000 Genomes Project. The Ensembl genome browser of the 1000 Genomes Project was used to conduct cross-population allele frequency comparisons of 11 SNPs across 11 genes, physiologically involved and significantly associated with SU levels and gout risk. Gene/SNP pairs included: ABCG2 (rs2231142), SLC2A9 (rs734553), SLC17A1 (rs1183201), SLC16A9 (rs1171614), GCKR (rs1260326), SLC22A11 (rs2078267), SLC22A12 (rs505802), INHBC (rs3741414), RREB1 (rs675209), PDZK1 (rs12129861), and NRXN2 (rs478607). Allele frequencies were compared to EUR using Chi-Square or Fisher’s Exact test, when appropriate. Bonferroni correction for multiple comparisons was used, with p < 0.0045 for statistical significance. Risk alleles were defined as the allele that is associated with baseline or higher HU and gout risks. The cumulative HU or gout risk allele index of the 11 SNPs was estimated for each population. The prevalence of HU and gout in U.S. and non-US populations was evaluated using published epidemiological data and literature review. Compared with EUR, the SNP frequencies of 7/11 in ASW, 9/11 in MXL, 9/11 JPT, and 11/11 CHS were significantly different. HU or gout risk allele indices were 5, 6, 9, and 11 in ASW, MXL, CHS, and JPT, respectively. Out of the 11 SNPs, the percentage of risk alleles in CHS and JPT was 100%. Compared to non-US populations, the prevalence of HU and gout appear to be higher in western world countries. Compared with EUR, CHS and JPT populations had the highest HU or gout risk allele frequencies, followed by MXL and ASW. These results suggest that individuals of Asian descent are at higher HU and gout risk, which may partly explain the nearly three-fold higher gout prevalence among Asians versus Caucasians in ambulatory care settings. Furthermore, gout remains a disease of developed countries with a marked global rising.
IPO’s Long-Run Performance: Hot Market versus Earnings Management
Authors: Lin Tsai-Yin , Yu Jerry , Lin Chia-Yi
Published: March 2021

One of the IPO-related anomalies that have been well-discussed in the finance literature is the IPO’s long-running underperformance. Two of the major explanations of that phenomenon are: “Hot market” and earnings management. This study investigates the relative importance of these two explanations to the IPO’s long-run underperformance. Our results show that although both hot market and earnings management play a role in explaining IPO’s long-run performance in their own rights, earnings management no longer exhibits significant explanatory power when the IPOs are issued in the cold market. While the IPOs that are issued in the hot market still tend to underperform in the long run even if the firms do not engage in earnings management. Our findings are consistent with the literature related to the information asymmetry in IPO market. And, because the information asymmetry is more severe in hot market condition, IPOs issued in hot market tend to exhibit poorer returns than those issued in cold market.
Application of Drone and WorldView-4 Satellite Data in Mapping and Monitoring Grazing Land Cover and Pasture Quality: Pre- and Post-Flooding
Authors: Akumu Clement E. , Amadi Eze O. , Dennis Samuel
Published: March 2021

Frequent flooding worldwide, especially in grazing environments, requires mapping and monitoring grazing land cover and pasture quality to support land management. Although drones, satellite, and machine learning technologies can be used to map land cover and pasture quality, there have been limited applications in grazing land environments, especially monitoring land cover change and pasture quality pre- and post-flood events. The use of high spatial resolution drone and satellite data such as WorldView-4 can provide effective mapping and monitoring in grazing land environments. The aim of this study was to utilize high spatial resolution drone and WorldView-4 satellite data to map and monitor grazing land cover change and pasture quality pre-and post-flooding. The grazing land cover was mapped pre-flooding using WorldView-4 satellite data and post-flooding using real-time drone data. The machine learning Random Forest classification algorithm was used to delineate land cover types and the normalized difference vegetation index (NDVI) was used to monitor pasture quality. This study found a seven percent (7%) increase in pasture cover and a one hundred percent (100%) increase in pasture quality post-flooding. The drone and WorldView-4 satellite data were useful to detect grazing land cover change at a finer scale.
Giardia and Cryptosporidium in Neo-Tropical Rodents and Marsupials: Is There Any Zoonotic Potential?
Authors: Jones Kegan Romelle , Tardieu Laura
Published: March 2021

Cryptosporidiosis and giardiasis have been identified as emerging diseases in both developed and developing countries. Wildlife has been highlighted to play a major role in the spread of these diseases to humans. This review aims to highlight the research findings that relate to Cryptosporidium spp. and Giardia spp., with a focus on (1) parasitism of neo-tropical hystricomorphic rodents and marsupials from the genus Didelphis and (2) prevention and treatment strategies for humans and animals for the neo-tropical region. It was found that there are few studies conducted on neo-tropical rodent and marsupial species, but studies that were found illustrated the potential role these animals may play as zoonotic carriers of these two parasites for the neo-tropical region. Thus, it is recommended that further studies be done to assess the threat of protozoan parasites in neo-tropical wildlife to humans and domestic animals, and to further determine the most effective prophylaxis adapted for the unique conditions of the region.
Close-Enough Facility Location
Authors: Moya-Martínez Alejandro , Landete Mercedes , Monge Juan Francisco
Published: March 2021

This paper introduces the concept of close-enough in the context of facility location. It is assumed that customers are willing to move from their homes to close-enough pickup locations. Given that the number of pickup locations is expanding every day, it is assumed that pickup locations can be placed everywhere. Conversely, the set of potential location for opening facilities is discrete as well as the set of customers. Opening facilities and pickup points entails an installation budget and a distribution cost to transport goods from facilities to customers and pickup locations. The (p,t)-Close-Enough Facility Location Problem is the problem of deciding where to locate p facilities among the finite set of candidates, where to locate t pickup points in the plane and how to allocate customers to facilities or to pickup points so that all the demand is satisfied and the total cost is minimized. In this paper, it is proved that the set of initial infinite number of pickup locations is finite in practice. Two mixed-integer linear programming models are proposed for the discrete problem. The models are enhanced with valid inequalities and a branch and price algorithm is designed for the most promising model. The findings of a comprehensive computational study reveal the performance of the different models and the branch and price algorithm and illustrate the value of pickup locations.
Data-Driven Leak Localization in Urban Water Distribution Networks Using Big Data for Random Forest Classifier
Authors: Lučin Ivana , Lučin Bože , Čarija Zoran , Sikirica Ante
Published: March 2021

In the present paper, a Random Forest classifier is used to detect leak locations on two different sized water distribution networks with sparse sensor placement. A great number of leak scenarios were simulated with Monte Carlo determined leak parameters (leak location and emitter coefficient). In order to account for demand variations that occur on a daily basis and to obtain a larger dataset, scenarios were simulated with random base demand increments or reductions for each network node. Classifier accuracy was assessed for different sensor layouts and numbers of sensors. Multiple prediction models were constructed for differently sized leakage and demand range variations in order to investigate model accuracy under various conditions. Results indicate that the prediction model provides the greatest accuracy for the largest leaks, with the smallest variation in base demand (62% accuracy for greater- and 82% for smaller-sized networks, for the largest considered leak size and a base demand variation of ±2.5%). However, even for small leaks and the greatest base demand variations, the prediction model provided considerable accuracy, especially when localizing the sources of leaks when the true leak node and neighbor nodes were considered (for a smaller-sized network and a base demand of variation ±20% the model accuracy increased from 44% to 89% when top five nodes with greatest probability were considered, and for a greater-sized network with a base demand variation of ±10% the accuracy increased from 36% to 77%).
Personalized Cotesting Policies for Cervical Cancer Screening: A POMDP Approach
Authors: Ebadi Malek , Akhavan-Tabatabaei Raha
Published: March 2021

Screening for cervical cancer is a critical policy that requires clinical and managerial vigilance because of its serious health consequences. Recently the practice of conducting simultaneous tests of cytology and Human Papillomavirus (HPV)-DNA testing (known as cotesting) has been included in the public health policies and guidelines with a fixed frequency. On the other hand, personalizing medical interventions by incorporating patient characteristics into the decision making process has gained considerable attention in recent years. We develop a personalized partially observable Markov decision process (POMDP) model for cervical cancer screening decisions by cotesting. In addition to the merits offered by the guidelines, by availing the possibility of including patient-specific risks and other attributes, our POMDP model provides a patient-tailored screening plan. Our results show that the policy generated by the POMDP model outperforms the static guidelines in terms of quality-adjusted life years (QALY) gain, while performing comparatively equal in lifetime risk reduction.
Asymptotic Profile for Diffusion Wave Terms of the Compressible Navier–Stokes–Korteweg System
Authors: Kobayashi Takayuki , Misawa Masashi , Tsuda Kazuyuki
Published: March 2021

The asymptotic profile for diffusion wave terms of solutions to the compressible Navier–Stokes–Korteweg system is studied on R2. The diffusion wave with time-decay estimate was studied by Hoff and Zumbrun (1995, 1997), Kobayashi and Shibata (2002), and Kobayashi and Tsuda (2018) for compressible Navier–Stokes and compressible Navier–Stokes–Korteweg systems. Our main assertion in this paper is that, for some initial conditions given by the Hardy space, asymptotic behaviors in space–time L2 of the diffusion wave parts are essentially different between density and the potential flow part of the momentum. Even though measuring by L2 on space, decay of the potential flow part is slower than that of the Stokes flow part of the momentum. The proof is based on a modified version of Morawetz’s energy estimate, and the Fefferman–Stein inequality on the duality between the Hardy space and functions of bounded mean oscillation.
EPS364, a Novel Deep-Sea Bacterial Exopolysaccharide, Inhibits Liver Cancer Cell Growth and Adhesion
Authors: Wang Yun , Liu Ge , Liu Rui , Wei Maosheng , Zhang Jinxiang , Sun Chaomin
Published: March 2021

The prognosis of liver cancer was inferior among tumors. New medicine treatments are urgently needed. In this study, a novel exopolysaccharide EPS364 was purified from Vibrio alginolyticus 364, which was isolated from a deep-sea cold seep of the South China Sea. Further research showed that EPS364 consisted of mannose, glucosamine, gluconic acid, galactosamine and arabinose with a molar ratio of 5:9:3.4:0.5:0.8. The relative molecular weight of EPS364 was 14.8 kDa. Our results further revealed that EPS364 was a β-linked and phosphorylated polysaccharide. Notably, EPS364 exhibited a significant antitumor activity, with inducing apoptosis, dissipation of the mitochondrial membrane potential (MMP) and generation of reactive oxygen species (ROS) in Huh7.5 liver cancer cells. Proteomic and quantitative real-time PCR analyses indicated that EPS364 inhibited cancer cell growth and adhesion via targeting the FGF19-FGFR4 signaling pathway. These findings suggest that EPS364 is a promising antitumor agent for pharmacotherapy.
Surface Modification of the EBM Ti-6Al-4V Alloy by Pulsed Ion Beam
Authors: Pushilina Natalia , Stepanova Ekaterina , Stepanov Andrey , Syrtanov Maxim
Published: March 2021

The effect of surface modification of Ti-6Al-4V samples manufactured by electron beam melting (EBM) using a pulsed carbon ion beam is studied in the present work. Based on the results of XRD, SEM, and TEM analysis, patterns of changes in the microstructure and phase composition of the EBM Ti-6Al-4V alloy, depending on the number of pulses of pulsed ion beam exposure, are revealed. It was found that gradient microstructure is formed as a result of pulsed ion beam irradiation of the EBM Ti-6Al-4V samples. The microstructure of the surface layer up to 300 nm thick is represented by the (α + α”) phase. At depths of 0.3 μm, the microstructure is mixed and contains alpha-phase plates and needle-shaped martensite. The mechanical properties were investigated using methods of uniaxial tensile tests, micro- and nanohardness measurements, and tribological tests. It was shown that surface modification by a pulsed ion beam at an energy density of 1.92 J/cm2 and five pulses leads to an increase in the micro- and nanohardness of the surface layers, a decrease in the wear rate, and a slight rise in the plasticity of EBM Ti-6Al-4V alloy.
Separation of Sn, Sb, Bi, and Cu from Tin Anode Slime by Solvent Extraction and Chemical Precipitation
Authors: Chen Wei-Sheng , Mesaki Shota , Lee Cheng-Han
Published: March 2021

Tin anode slime is a by-product of the tin electrolytic refining process. This study investigated a route to separate Sn, Sb, Bi, and Cu from tin anode slime after leaching with hydrochloric acid. In the solvent extraction process with tributyl phosphate, Sb and Sn were extracted into the organic phase. Bi and Cu were unextracted and remained in the liquid phase. In the stripping experiment, Sb and Sn were stripped and separated with HCl and HNO3. Bi and Cu in the aqueous phase were also separated with chemical precipitation procedure by controlling pH value. The purities of Sn, Sb, Cu solution and the Bi-containing solid were 96.25%, 83.65%, 97.51%, and 92.1%. The recovery rates of Sn, Sb, Cu, and Bi were 76.2%, 67.1%, and 96.2% and 92.4%.
Phloroglucinol Derivatives in Plant-Beneficial Pseudomonas spp.: Biosynthesis, Regulation, and Functions
Authors: Biessy Adrien , Filion Martin
Published: March 2021

Plant-beneficial Pseudomonas spp. aggressively colonize the rhizosphere and produce numerous secondary metabolites, such as 2,4-diacetylphloroglucinol (DAPG). DAPG is a phloroglucinol derivative that contributes to disease suppression, thanks to its broad-spectrum antimicrobial activity. A famous example of this biocontrol activity has been previously described in the context of wheat monoculture where a decline in take-all disease (caused by the ascomycete Gaeumannomyces tritici) has been shown to be associated with rhizosphere colonization by DAPG-producing Pseudomonas spp. In this review, we discuss the biosynthesis and regulation of phloroglucinol derivatives in the genus Pseudomonas, as well as investigate the role played by DAPG-producing Pseudomonas spp. in natural soil suppressiveness. We also tackle the mode of action of phloroglucinol derivatives, which can act as antibiotics, signalling molecules and, in some cases, even as pathogenicity factors. Finally, we discuss the genetic and genomic diversity of DAPG-producing Pseudomonas spp. as well as its importance for improving the biocontrol of plant pathogens.
Yield Losses Caused by Barley Yellow Dwarf Virus-PAV Infection in Wheat and Barley: A Three-Year Field Study in South-Eastern Australia
Authors: Nancarrow Narelle , Aftab Mohammad , Hollaway Grant , Rodoni Brendan , Trębicki Piotr
Published: March 2021

Barley yellow dwarf virus (BYDV) is transmitted by aphids and significantly reduces the yield and quality of cereals worldwide. Four experiments investigating the effects of barley yellow dwarf virus-PAV (BYDV-PAV) infection on either wheat or barley were conducted over three years (2015, 2017, and 2018) under typical field conditions in South-Eastern Australia. Plants inoculated with BYDV-PAV using viruliferous aphids (Rhopalosiphum padi) were harvested at maturity then grain yield and yield components were measured. Compared to the non-inoculated control, virus infection severely reduced grain yield by up to 84% (1358 kg/ha) in wheat and 64% (1456 kg/ha) in barley. The yield component most affected by virus infection was grain number, which accounted for a large proportion of the yield loss. There were no significant differences between early (seedling stage) and later (early-tillering stage) infection for any of the parameters measured (plant height, biomass, yield, grain number, 1000-grain weight or grain size) for either wheat or barley. Additionally, this study provides an estimated yield loss value, or impact factor, of 0.91% (72 kg/ha) for each one percent increase in natural BYDV-PAV background infection. Yield losses varied considerably between experiments, demonstrating the important role of cultivar and environmental factors in BYDV epidemiology and highlighting the importance of conducting these experiments under varying conditions for specific cultivar–vector–virus combinations.
Unprecedented Coordination-Induced Bright Red Emission from Group 12 Metal-Bound Triarylazoimidazoles
Authors: Astafiev Artyom A. , Repina Olga V. , Tupertsev Boris S. , Nazarov Alexey A. , Gonchar Maria R. , Vologzhanina Anna V. , Nenajdenko Valentine G. , Kritchenkov Andreii S. , Khrustalev Victor N. , Nadtochenko Victor N. , Tskhovrebov Alexander G.
Published: March 2021

Arylazoimidazoles are important dyes which were intensively studied in the past. In contrast, triarylazoimidazoles (derivatives which carry aryl substituents at the imidazole core) received almost no attention in the scientific literature. Here, we report a new family of simple and easily accessible triarylazoimidazole-group 12 metal complexes, which feature highly efficient photo-luminescence emission (Φ up to  0.44). Novel compounds exhibit bright red emission in solution, which could be excited with a visible light.
The Synthesis Methodology of PEGylated Fe3O4@Ag Nanoparticles Supported by Their Physicochemical Evaluation
Authors: Kędzierska Magdalena , Potemski Piotr , Drabczyk Anna , Kudłacik-Kramarczyk Sonia , Głąb Magdalena , Grabowska Beata , Mierzwiński Dariusz , Tyliszczak Bożena
Published: March 2021

Many investigations are currently being performed to develop the effective synthesis methodology of magnetic nanoparticles with appropriately functionalized surfaces. Here, the novelty of the presented work involves the preparation of nano-sized PEGylated Fe3O4@Ag particles, i.e., the main purpose was the synthesis of magnetic nanoparticles with a functionalized surface. Firstly, Fe3O4 particles were prepared via the Massart process. Next, Ag+ reduction was conducted in the presence of Fe3O4 particles to form a nanosilver coating. The reaction was performed with arabic gum as a stabilizing agent. Sound energy-using sonication was applied to disintegrate the particles’ agglomerates. Next, the PEGylation process aimed at the formation of a coating on the particles’ surface using PEG (poly(ethylene glycol)) has been performed. It was proved that the arabic gum limited the agglomeration of nanoparticles, which was probably caused by the steric effect caused by the branched compounds from the stabilizer that adsorbed on the surface of nanoparticles. This effect was also enhanced by the electrostatic repulsions. The process of sonication caused the disintegration of aggregates. Formation of iron (II, III) oxide with a cubic structure was proved by diffraction peaks. Formation of a nanosilver coating on the Fe3O4 nanoparticles was confirmed by diffraction peaks with 2θ values 38.15° and 44.35°. PEG coating on the particles’ surface was proven via FT-IR (Fourier Transform Infrared Spectroscopy) analysis. Obtained PEG–nanosilver-coated Fe3O4 nanoparticles may find applications as carriers for targeted drug delivery using an external magnetic field.
An Overview of the Antimicrobial Properties of Lignocellulosic Materials
Authors: Lobo Flávia C. M. , Franco Albina R. , Fernandes Emanuel M. , Reis Rui L.
Published: March 2021

Pathogenic microbes are a major source of health and environmental problems, mostly due to their easy proliferation on most surfaces. Currently, new classes of antimicrobial agents are under development to prevent microbial adhesion and biofilm formation. However, they are mostly from synthetic origin and present several disadvantages. The use of natural biopolymers such as cellulose, hemicellulose, and lignin, derived from lignocellulosic materials as antimicrobial agents has a promising potential. Lignocellulosic materials are one of the most abundant natural materials from renewable sources, and they present attractive characteristics, such as low density and biodegradability, are low-cost, high availability, and environmentally friendly. This review aims to provide new insights into the current usage and potential of lignocellulosic materials (biopolymer and fibers) as antimicrobial materials, highlighting their future application as a novel drug-free antimicrobial polymer.
Vitamin A and Bone Health: A Review on Current Evidence
Authors: Yee Michelle Min Fang , Chin Kok-Yong , Ima-Nirwana Soelaiman , Wong Sok Kuan
Published: March 2021

Vitamin A is a fat-soluble micronutrient essential for growth, immunity, and good vision. The preformed retinol is commonly found in food of animal origin whereas provitamin A is derived from food of plant origin. This review summarises the current evidence from animal, human and cell-culture studies on the effects of vitamin A towards bone health. Animal studies showed that the negative effects of retinol on the skeleton were observed at higher concentrations, especially on the cortical bone. In humans, the direct relationship between vitamin A and poor bone health was more pronounced in individuals with obesity or vitamin D deficiency. Mechanistically, vitamin A differentially influenced the stages of osteogenesis by enhancing early osteoblastic differentiation and inhibiting bone mineralisation via retinoic acid receptor (RAR) signalling and modulation of osteocyte/osteoblast-related bone peptides. However, adequate vitamin A intake through food or supplements was shown to maintain healthy bones. Meanwhile, provitamin A (carotene and β-cryptoxanthin) may also protect bone. In vitro evidence showed that carotene and β-cryptoxanthin may serve as precursors for retinoids, specifically all-trans-retinoic acid, which serve as ligand for RARs to promote osteogenesis and suppressed nuclear factor-kappa B activation to inhibit the differentiation and maturation of osteoclasts. In conclusion, we suggest that both vitamin A and provitamin A may be potential bone-protecting agents, and more studies are warranted to support this hypothesis.
Sustainable Approaches to the Synthesis of Metallophthalocyanines in Solution
Authors: Zanotti Gloria , Imperatori Patrizia , Paoletti Anna Maria , Pennesi Giovanna
Published: March 2021

This work aims to investigate more sustainable reaction conditions for the synthesis of metallophthalocyanines. Anisole, glycerol and their mixtures have been investigated as reaction media for the tetramerization of phthalonitriles. Acetates of three divalent first-transition metal cations, Co(II), Cu(II) and Zn(II), were used and several bases were tested, depending on the chosen substrates and reaction conditions, with a view to making the whole process more sustainable while ensuring its scalability. Unsubstituted phthalocyanines were synthesized to analyze the behavior of the different metal ions in terms of reactivity in the new reaction media, resulting in a general Cu > Co > Zn trend, while the nonpolar tetra-tert-butyl substitution was investigated to evaluate the synthesis of soluble derivatives in the new conditions. Furthermore, the potassium hydroxide (KOH)-aided statistical synthesis of the unsymmetrical 9(10), 16(17), 23(24)-tri-tert-butyl-2-iodophthalocyaninato zinc(II), starting from 4-tert-butylphthalonitrile and 4-iodophthalonitrile in a glycerol/anisole mixture, proceeded with a satisfactory 26% yield. Our results provide insights into the investigation of new reaction environments and the understanding of their strengths and weaknesses, with a view to further increasing the sustainability of the synthesis of metallomacrocycles with high added value while lowering their production cost.
Plant-Based Gums and Mucilages Applications in Pharmacology and Nanomedicine: A Review
Authors: Amiri Mohammad Sadegh , Mohammadzadeh Vahideh , Yazdi Mohammad Ehsan Taghavizadeh , Barani Mahmood , Rahdar Abbas , Kyzas George Z.
Published: March 2021

Gums are carbohydrate biomolecules that have the potential to bind water and form gels. Gums are regularly linked with proteins and minerals in their construction. Gums have several forms, such as mucilage gums, seed gums, exudate gums, etc. Plant gums are one of the most important gums because of their bioavailability. Plant-derived gums have been used by humans since ancient times for numerous applications. The main features that make them appropriate for use in different applications are high stabilization, viscosity, adhesive property, emulsification action, and surface-active activity. In many pharmaceutical formulations, plant-based gums and mucilages are the key ingredients due to their bioavailability, widespread accessibility, non-toxicity, and reasonable prices. These compete with many polymeric materials for use as different pharmaceuticals in today’s time and have created a significant achievement from being an excipient to innovative drug carriers. In particular, scientists and pharmacy industries around the world have been drawn to uncover the secret potential of plant-based gums and mucilages through a deeper understanding of their physicochemical characteristics and the development of safety profile information. This innovative unique class of drug products, useful in advanced drug delivery applications, gene therapy, and biosynthesis, has been developed by modification of plant-based gums and mucilages. In this review, both fundamental and novel medicinal aspects of plant-based gums and mucilages, along with their capacity for pharmacology and nanomedicine, were demonstrated.
Solvent-Controlled Self-Assembled Oligopyrrolic Receptor
Authors: Wang Fei , Liang Kejiang , Larsen Mads Christian , Bähring Steffen , Ishida Masatoshi , Furuta Hiroyuki , Jana Atanu
Published: March 2021

We report a fully organic pyridine-tetrapyrrolic U-shaped acyclic receptor 10, which prefers a supramolecular pseudo-macrocyclic dimeric structure (10)2 in a less polar, non-coordinating solvent (e.g., CHCl3). Conversely, when it is crystalized from a polar, coordinating solvent (e.g., N,N-dimethylformamide, DMF), it exhibited an infinite supramolecular one-dimensional (1D) “zig-zag” polymeric chain, as inferred from the single-crystal X-ray structures. This supramolecular system acts as a potential receptor for strong acids, e.g., p-toluenesulfonic acid (PTSA), methane sulfonic acid (MSA), H2SO4, HNO3, and HCl, with a prominent colorimetric response from pale yellow to deep red. The receptor can easily be recovered from the organic solution of the host–guest complex by simple aqueous washing. It was observed that relatively stronger acids with pKa < −1.92 in water were able to interact with the receptor, as inferred from 1H NMR titration in tetrahydrofuran-d8 (THF-d8) and ultraviolet–visible (UV–vis) spectroscopic titrations in anhydrous THF at 298 K. Therefore, this new dynamic supramolecular receptor system may have potentiality in materials science research.
Flavone-Rich Fractions and Extracts from Oroxylum indicum and Their Antibacterial Activities against Clinically Isolated Zoonotic Bacteria and Free Radical Scavenging Effects
Authors: Sithisarn Patchima , Rojsanga Piyanuch , Sithisarn Pongtip
Published: March 2021

Oroxylum indicum extracts from the seeds collected from Lampang and Pattani provinces in Thailand, and young fruits and flowers exhibited in vitro display antioxidant and antibacterial activities against clinically isolated zoonotic bacteria including Staphylococcus intermedius, Streptococcus suis, Pseudomonas aeruginosa, β-hemolytic Escherichia coli and Staphylococcus aureus. The orange crystals and yellow precipitates were obtained from the preparation processes of the seed extracts. The orange-red crystals from the seeds collected from Lampang province exhibited strong in vitro 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging effects (EC50 value = 25.99 ± 3.30 μg/mL) and antibacterial effects on S. intermedius and β-hemolytic E. coli while the yellow precipitate from the same source exhibited only antioxidant activity. Quantitative analysis of phytochemicals in O. indicum samples by spectrophotometric and HPLC techniques showed that they contained different amounts of total phenolic, total flavonoid and three major flavones; baicalin, baicalein and chrysin contents. Young fruit extract, which contained low amounts of flavone contents, still promoted antibacterial effects against the tested bacteria with IC50 values lower than 1 mg/mL and MIC values between 4 to 10 mg/mL in S. intermedius, S. aureus and S suis while higher IC50 and MIC values against P. aeruginosa and β-hemolytic E. coli were found. From scanning electron microscopy, the extract of the young fruit of O. indicum promoted morphological changes in the bacterial cells by disrupting the bacterial cell walls, inducing leakage of the cellular content, and generating the abnormal accumulation of cells. The mechanism of action of the extract for this antibacterial effect may be the disruption of the cell membrane and abnormal cell aggregations. Regression analysis of the results suggests the correlation between total phenolic and total flavonoid contents and antioxidant and antibacterial effects. Baicalin was found to have a high correlation with an inhibitory effect against β-hemolytic E. coli while three unidentified peaks, which could be flavones, showed high correlations with an inhibitory effect against S. intermedius, S. suis, P. aeruginosa and S. aureus.
Medicinal Plants, Phytochemicals, and Herbs to Combat Viral Pathogens Including SARS-CoV-2
Authors: Anand Arumugam Vijaya , Balamuralikrishnan Balasubramanian , Kaviya Mohandass , Bharathi Kathirvel , Parithathvi Aluru , Arun Meyyazhagan , Senthilkumar Nachiappan , Velayuthaprabhu Shanmugam , Saradhadevi Muthukrishnan , Al-Dhabi Naif Abdullah , Arasu Mariadhas Valan , Yatoo Mohammad Iqbal , Tiwari Ruchi , Dhama Kuldeep
Published: March 2021

The coronavirus disease 2019 (COVID-19) pandemic, caused by severe acute respiratory syndrome corona virus-2 (SARS-CoV-2), is the most important health issue, internationally. With no specific and effective antiviral therapy for COVID-19, new or repurposed antiviral are urgently needed. Phytochemicals pose a ray of hope for human health during this pandemic, and a great deal of research is concentrated on it. Phytochemicals have been used as antiviral agents against several viruses since they could inhibit several viruses via different mechanisms of direct inhibition either at the viral entry point or the replication stages and via immunomodulation potentials. Recent evidence also suggests that some plants and its components have shown promising antiviral properties against SARS-CoV-2. This review summarizes certain phytochemical agents along with their mode of actions and potential antiviral activities against important viral pathogens. A special focus has been given on medicinal plants and their extracts as well as herbs which have shown promising results to combat SARS-CoV-2 infection and can be useful in treating patients with COVID-19 as alternatives for treatment under phytotherapy approaches during this devastating pandemic situation.
Molecular Modeling of Histamine Receptors—Recent Advances in Drug Discovery
Authors: Mehta Pakhuri , Miszta Przemysław , Filipek Sławomir
Published: March 2021

The recent developments of fast reliable docking, virtual screening and other algorithms gave rise to discovery of many novel ligands of histamine receptors that could be used for treatment of allergic inflammatory disorders, central nervous system pathologies, pain, cancer and obesity. Furthermore, the pharmacological profiles of ligands clearly indicate that these receptors may be considered as targets not only for selective but also for multi-target drugs that could be used for treatment of complex disorders such as Alzheimer’s disease. Therefore, analysis of protein-ligand recognition in the binding site of histamine receptors and also other molecular targets has become a valuable tool in drug design toolkit. This review covers the period 2014–2020 in the field of theoretical investigations of histamine receptors mostly based on molecular modeling as well as the experimental characterization of novel ligands of these receptors.
Prediction of Selected Biosynthetic Pathways for the Lipopolysaccharide Components in Porphyromonas gingivalis
Authors: Swietnicki Wieslaw , Caspi Ron
Published: March 2021

Porphyromonas gingivalis is an oral human pathogen. The bacterium destroys dental tissue and is a serious health problem worldwide. Experimental data and bioinformatic analysis revealed that the pathogen produces three types of lipopolysaccharides (LPS): normal (O-type), anionic (A-type), and capsular (K-type). The enzymes involved in the production of all three types of lipopolysaccharide have been largely identified for the first two and partially for the third type. In the current work, we use bioinformatics tools to predict biosynthetic pathways for the production of the normal (O-type) lipopolysaccharide in the W50 strain Porphyromonas gingivalis and compare the pathway with other putative pathways in fully sequenced and completed genomes of other pathogenic strains. Selected enzymes from the pathway have been modeled and putative structures are presented. The pathway for the A-type antigen could not be predicted at this time due to two mutually exclusive structures proposed in the literature. The pathway for K-type antigen biosynthesis could not be predicted either due to the lack of structural data for the antigen. However, pathways for the synthesis of lipid A, its core components, and the O-type antigen ligase reaction have been proposed based on a combination of experimental data and bioinformatic analyses. The predicted pathways are compared with known pathways in other systems and discussed. It is the first report in the literature showing, in detail, predicted pathways for the synthesis of selected LPS components for the model W50 strain of P. gingivalis.
Enhancing the Protective Immune Response to Administration of a LIVP-GFP Live Attenuated Vaccinia Virus to Mice
Authors: Shchelkunov Sergei N. , Yakubitskiy Stanislav N. , Titova Kseniya A. , Pyankov Stepan A. , Sergeev Alexander A.
Published: March 2021

Following the WHO announcement of smallpox eradication, discontinuation of smallpox vaccination with vaccinia virus (VACV) was recommended. However, interest in VACV was soon renewed due to the opportunity of genetic engineering of the viral genome by directed insertion of foreign genes or introduction of mutations or deletions into selected viral genes. This genomic technology enabled production of stable attenuated VACV strains producing antigens of various infectious agents. Due to an increasing threat of human orthopoxvirus re-emergence, the development of safe highly immunogenic live orthopoxvirus vaccines using genetic engineering methods has been the challenge in recent years. In this study, we investigated an attenuated VACV LIVP-GFP (TK-) strain having an insertion of the green fluorescent protein gene into the viral thymidine kinase gene, which was generated on the basis of the LIVP (Lister-Institute for Viral Preparations) strain used in Russia as the first generation smallpox vaccine. We studied the effect of A34R gene modification and A35R gene deletion on the immunogenic and protective properties of the LIVP-GFP strain. The obtained data demonstrate that intradermal inoculation of the studied viruses induces higher production of VACV-specific antibodies compared to their levels after intranasal administration. Introduction of two point mutations into the A34R gene, which increase the yield of extracellular enveloped virions, and deletion of the A35R gene, the protein product of which inhibits presentation of antigens by MHC II, enhances protective potency of the created LIVP-TK--A34R*-dA35R virus against secondary lethal orthopoxvirus infection of BALB/c mice even at an intradermal dose as low as 103 plaque forming units (PFU)/mouse. This virus may be considered not only as a candidate attenuated live vaccine against smallpox and other human orthopoxvirus infections but also as a vector platform for development of safe multivalent live vaccines against other infectious diseases using genetic engineering methods.
Agronomic Assessment of a Controlled-Release Polymer-Coated Urea-Based Fertilizer in Maize
Authors: Gil-Ortiz Ricardo , Naranjo Miguel Ángel , Ruiz-Navarro Antonio , Caballero-Molada Marcos , Atares Sergio , García Carlos , Vicente Oscar
Published: March 2021

Increasing nutrient use efficiency of fertilizers is one of the major challenges to improve crop yields and minimize environmental impacts. This work compared the efficacy of a new ecological polymer-coated urea fertilizer and a slow release urea-based traditional fertilizer. Reductions in the N doses of the polymer-coated fertilizer were tested. A comparative study was first carried out by measuring the different physiological and yield parameters at the micro-scale level, and later-on field experiments were performed. Grain yield in the field was significantly higher (20%) when applying the new controlled-release fertilizer than when using the traditional one at the same dose. A 20% reduction in N content in the new fertilizer gave similar physiological and yield responses compared to the traditional fertilizer. We conclude that this new fertilizer can be used in extensive cropping of maize, guaranteeing at least the same yields than traditional fertilizers, with a reduction on the impact on soil properties and nitrogen losses.
Genotypic Difference in the Responses to Nitrogen Fertilizer Form in Tibetan Wild and Cultivated Barley
Authors: Naz Shama , Shen Qiufang , Lwalaba Jonas Lwalaba Wa , Zhang Guoping
Published: March 2021

Nitrogen (N) availability and form have a dramatic effect on N uptake and assimilation in plants, affecting growth and development. In the previous studies, we found great differences in low-N tolerance between Tibetan wild barley accessions and cultivated barley varieties. We hypothesized that there are different responses to N forms between the two kinds of barleys. Accordingly, this study was carried out to determine the response of four barley genotypes (two wild, XZ16 and XZ179; and two cultivated, ZD9 andHua30) under 4Nforms (NO3−, NH4+, urea and glycine). The results showed significant reduction in growth parameters such as root/shoot length and biomass, as well as photosynthesis parameters and total soluble protein content under glycine treatment relative to other N treatments, for both wild and cultivated barley, however, XZ179 was least affected. Similarly, ammonium adversely affected growth parameters in both wild and cultivated barleys, with XZ179 being severely affected. On the other hand, both wild and cultivated genotypes showed higher biomass, net photosynthetic rate, chlorophyll and protein in NO3− treatment relative to other three N treatments. It may be concluded that barley undisputedly grows well under inorganic nitrogen (NO3−), however in response to the organic N wild barley prefer glycine more than cultivated barely.
Study on the Characteristics of Size-Segregated Particulate Water-Soluble Inorganic Ions and Potentially Toxic Metals during Wintertime in a High Population Residential Area in Beijing, China
Authors: Xiao Kai , Qin Ao , Wang Weiqian , Lu Senlin , Wang Qingyue
Published: March 2021

Airborne particulate matter (PM) pollution often occurs in the wintertime in northern China, posing a potential threat to human health. To date, there are limited studies about the metals and inorganic ions to link source apportionments and health risk assessments in the different size-segregated PM samples. In this study, our samples were collected by a high-volume air sampler from 26 December 2018 to 11 January 2019 in a high population residential area (Beijing). Water-soluble inorganic ions, metal elements in the different size-segregated PM samples were determined for health risk assessments by inhalation of PM. During the sampling period in Beijing, the average concentrations of PM1.1 and PM1.1–2.0 were 39.67 ± 10.66 μg m−3 and 32.25 ± 6.78 μg m−3. Distinct distribution profiles characterized the different elements. The markers of coal combustion Pb, As, and Se had >52% of their mass concentration in PM1.1. The average mass ratios of (NO3− + NO2−)/SO42−, Cl−/Na+, Cl−/K+, and Cl−/(NO3− + NO2−) were 1.68, 6.58, 6.18, and 0.57, which showed that coal combustion and vehicle emissions were the main anthropogenic sources of PM in Beijing in winter. PM1.1 was the major contributor of Pb, Cd, and As for carcinogenic risks (CR) and hazard quotient (HQ). It was indicated that PM1.1 is more harmful than coarse PM. The toxic elements of Cr (VI) (1.12 × 10−6), V (0.69 × 10−6), and As (0.41 × 10−6) caused higher CR for children than Ni, Cd, Co, and Pb. Meanwhile, Pb (35.30 × 10−6) and Ni (21.07 × 10−6) caused higher CR for adults than As, Cr (VI), V, Co, and Cd, especially PM1.1. This study provides detailed composition data and the first report on human health in a high population residential area in Beijing.
Phase Distribution in the Tip Clearance of a Multiphase Pump at Multiple Operating Points and Its Effect on the Pressure Fluctuation Intensity
Authors: Shi Guangtai , Liu Zongku , Liu Xiaobing , Xiao Yexiang , Tang Xuelin
Published: March 2021

Tip clearance has a great effect on the flow and pressure fluctuation characteristics in a multiphase pump, especially at multiple operating points. The phase distribution and pressure fluctuation in tip clearance in a multiphase pump are revealed using the CFD (computational fluid dynamics) technology and high-speed photography methods. In this paper, the phase distribution, the gas-liquid two-phase velocity slip, and the pressure fluctuation intensity are comprehensively analyzed. Results show with the increase of the tip clearance, the multiphase pump pressurization performance is obviously deteriorated. In the meantime, the gas accumulation mainly occurs at the hub, the blade suction side (SS), and the tip clearance, and the maximum gas-liquid two-phase velocity difference is near the impeller streamwise of 0.4. In addition, the tip clearance improves the gas-liquid two-phase distribution in the pump, that is, the larger the tip clearance is, the more uniform the gas-liquid distribution becomes. Furthermore, the gas leads to the maximum pressure fluctuation intensity in the tip clearance which is closer to the tip leakage flow (TLF) outlet, and has a greater effect on the degree of flow separation in the tip clearance.
The GSK3-NRF2 Axis in Suicide
Authors: Kalkman Hans O.
Published: March 2021

Mutations in the genes coding for tryptophan-hydrolase-2 and the scaffold protein FKBP5 are associated with an increased risk of suicide. The mutation in both cases enhances the enzymatic activity of glycogen synthase kinase-3 (GSK3). Conversely, anti-suicidal medications, such as lithium, clozapine, and ketamine, indirectly inhibit the activity of GSK3. When GSK3 is active, it promotes the metabolic removal of the transcription factor NRF2 (nuclear factor erythroid 2-related factor-2), which suppresses the transcription of multiple genes that encode anti-oxidative and anti-inflammatory proteins. Notably, several suicide-biomarkers bear witness to an ongoing inflammatory process. Moreover, alterations in serum lipid levels measured in suicidal individuals are mirrored by data obtained in mice with genetic deletion of the NRF2 gene. Inflammation is presumably causally related to both dysphoria and anger, two factors relevant for suicide ideation and attempt. Preventing the catabolism of NRF2 could be a strategy to obtain novel suicide-prophylactic medications. Possible candidates are minocycline and nicotinic-α7 agonists. The antibiotic minocycline indirectly activates NRF2-transcriptional activity, whereas the activation of nicotinic-α7 receptors indirectly inhibits GSK3.