bluuebunny/crossref_metadata_2025 huggingface dataset:
Fatigue Behavior of Linear Friction Welded Ti-6Al-4V and Ti-6Al-2Sn-4Zr-2Mo-0.1Si Dissimilar Welds
Authors: Rajan Sidharth , Wanjara Priti , Gholipour Javad , Kabir Abu Syed
Published: June 2021

The use of joints fabricated from dissimilar titanium alloys allows the design of structures with local properties tailored to different service requirements. To develop welded structures for aerospace applications, particularly under critical loading, an understanding of the fatigue behavior is crucial, but remains limited, especially for solid-state technologies such as linear friction welding (LFW). This paper presents the fatigue behavior of dissimilar titanium alloys, Ti–6Al–4V (Ti64) and Ti–6Al–2Sn–4Zr–2Mo–0.1Si (Ti6242), joined by LFW with the aim of characterizing the stress versus number of cycles to failure (S-N) curves in both the low- and high-cycle fatigue regimes. Prior to fatigue testing, metallurgical characterization of the dissimilar alloy welds indicated softening in the heat-affected zone due to the retention of metastable β, and the typical practice of stress relief annealing (SRA) for alleviating the residual stresses was effective also in transforming the metastable β to equilibrated levels of α + β phases and recovering the hardness. Thus, the dissimilar alloy joints were fatigue-tested in the SRA (750 °C for 2 h) condition and their low- and high-cycle fatigue behaviors were compared to those of the Ti64 and Ti6242 base metals (BMs). The low-cycle fatigue (LCF) behavior of the dissimilar Ti6242–Ti64 linear friction welds was characterized by relatively high maximum stress values (~ 900 to 1100 MPa) and, in the high-cycle fatigue (HCF) regime, the fatigue limit of 450 MPa at 107 cycles was just slightly higher than that of the Ti6242 BM (434 MPa) and the Ti64 BM (445 MPa). Fatigue failure of the dissimilar titanium alloy welds in the low-cycle and high-cycle regimes occurred, respectively, on the Ti64 and Ti6242 sides, roughly 3 ± 1 mm away from the weld center, and the transitioning was reasoned based on the microstructural characteristics of the BMs.
Sparse HJ Biplot: A New Methodology via Elastic Net
Authors: Cubilla-Montilla Mitzi , Nieto-Librero Ana Belén , Galindo-Villardón M. Purificación , Torres-Cubilla Carlos A.
Published: June 2021

The HJ biplot is a multivariate analysis technique that allows us to represent both individuals and variables in a space of reduced dimensions. To adapt this approach to massive datasets, it is necessary to implement new techniques that are capable of reducing the dimensionality of the data and improving interpretation. Because of this, we propose a modern approach to obtaining the HJ biplot called the elastic net HJ biplot, which applies the elastic net penalty to improve the interpretation of the results. It is a novel algorithm in the sense that it is the first attempt within the biplot family in which regularisation methods are used to obtain modified loadings to optimise the results. As a complement to the proposed method, and to give practical support to it, a package has been developed in the R language called SparseBiplots. This package fills a gap that exists in the context of the HJ biplot through penalized techniques since in addition to the elastic net, it also includes the ridge and lasso to obtain the HJ biplot. To complete the study, a practical comparison is made with the standard HJ biplot and the disjoint biplot, and some results common to these methods are analysed.
Multi-Machine Repairable System with One Unreliable Server and Variable Repair Rate
Authors: Lv Shengli
Published: June 2021

This paper analyzed the multi-machine repairable system with one unreliable server and one repairman. The machines may break at any time. One server oversees servicing the machine breakdown. The server may fail at any time with different failure rates in idle time and busy time. One repairman is responsible for repairing the server failure; the repair rate is variable to adapt to whether the machines are all functioning normally or not. All the time distributions are exponential. Using the quasi-birth-death(QBD) process theory, the steady-state availability of the machines, the steady-state availability of the server, and other steady-state indices of the system are given. The transient-state indices of the system, including the reliability of the machines and the reliability of the server, are obtained by solving the transient-state probabilistic differential equations. The Laplace–Stieltjes transform method is used to ascertain the mean time to the first breakdown of the system and the mean time to the first failure of the server. The case analysis and numerical illustration are presented to visualize the effects of the system parameters on various performance indices.
Hierarchical Modeling for Diagnostic Test Accuracy Using Multivariate Probability Distribution Functions
Authors: Pambabay-Calero Johny , Bauz-Olvera Sergio , Nieto-Librero Ana , Sánchez-García Ana , Galindo-Villardón Puri
Published: June 2021

Models implemented in statistical software for the precision analysis of diagnostic tests include random-effects modeling (bivariate model) and hierarchical regression (hierarchical summary receiver operating characteristic). However, these models do not provide an overall mean, but calculate the mean of a central study when the random effect is equal to zero; hence, it is difficult to calculate the covariance between sensitivity and specificity when the number of studies in the meta-analysis is small. Furthermore, the estimation of the correlation between specificity and sensitivity is affected by the number of studies included in the meta-analysis, or the variability among the analyzed studies. To model the relationship of diagnostic test results, a binary covariance matrix is assumed. Here we used copulas as an alternative to capture the dependence between sensitivity and specificity. The posterior values were estimated using methods that consider sampling algorithms from a probability distribution (Markov chain Monte Carlo), and estimates were compared with the results of the bivariate model, which assumes statistical independence in the test results. To illustrate the applicability of the models and their respective comparisons, data from 14 published studies reporting estimates of the accuracy of the Alcohol Use Disorder Identification Test were used. Using simulations, we investigated the performance of four copula models that incorporate scenarios designed to replicate realistic situations for meta-analyses of diagnostic accuracy of the tests. The models’ performances were evaluated based on p-values using the Cramér–von Mises goodness-of-fit test. Our results indicated that copula models are valid when the assumptions of the bivariate model are not fulfilled.
A Forgotten Differential Equation Studied by Jacopo Riccati Revisited in Terms of Lie Symmetries
Authors: Ritelli Daniele
Published: June 2021

In this paper we present a two parameter family of differential equations treated by Jacopo Riccati, which does not appear in any modern repertoires and we extend the original solution method to a four parameter family of equations, translating the Riccati approach in terms of Lie symmetries. To get the complete solution, hypergeometric functions come into play, which, of course, were unknown in Riccati’s time. Re-discovering the method introduced by Riccati, called by himself dimidiata separazione (splitted separation), we arrive at the closed form integration of a differential equation, more general to the one treated in Riccati’s contribution, and which also does not appear in the known repertoires.
Spray Drying of Chitosan Acid Salts: Process Development, Scaling Up and Physicochemical Material Characterization
Authors: de la Paz Nilia , Fernández Mirna , López Orestes , Garcia Caridad , Nogueira Antonio , Torres Leonid , Turiño Wilfredo , Heinämäki Jyrki
Published: June 2021

We investigated a spray drying process for preparing water-soluble salts of high molecular weight chitosan (CH) intended for pharmaceutical excipient applications. CH was derived from chitin of marine lobster origin (Panulirus argus). The effects of organic acid (acetic or lactic acid) and the ratio (difference) of inlet/outlet air temperature (140/90 °C or 160/100 °C) on spray drying were studied. The yield of spray-dried CH salt powders ranged from 50% to 99% in laboratory and industrial-scale processes. The spray-dried dry powder of CH salts consisted of spherical agglomerated particles with an average diameter of 36.2 ± 7.0 µm (CH acetate) and 108.6 ± 11.5 µm (CH lactate). After dispersing the spray-dried CH salt powder samples in purified water, the mean particle sizes obtained for the CH acetate salts were 31.4 nm (batch A001), 33.0 nm (A002) and 44.2 nm (A003), and for the CH lactate salts 100.8 nm (batch L001), 103.2 nm (L002) and 121.8 nm (L003). The optimum process conditions for spray drying were found: an inlet air temperature of 160 ± 5 °C, an outlet temperature of 100 ± 5 °C and an atomizer disk rotational speed of 18,200 min−1. The X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) results confirmed the amorphous state of the CH salts. The 1H nuclear magnetic resonance (NMR) and Fourier transform infrared (FT-IR) spectra of CH acetate and lactate salts verified that the spray drying process does not affect the polymer backbone. In conclusion, both laboratory and industrial-scale spray drying methods for preparing water-soluble acid salts of CH are reproducible, and the physicochemical properties of the corresponding CH acid salts are uniform.
Metabolic Syndrome Prevalence and Cardiovascular Risk Assessment in HIV-Positive Men with and without Antiretroviral Therapy
Authors: Lu Win-Long , Lee Yuan-Ti , Sheu Gwo-Tarng
Published: June 2021

Treatment of HIV infection is a lifelong process and associated with chronic diseases. We evaluated the prevalence and predictors of metabolic syndrome (MetS) and cardiovascular diseases (CVDs) with individual antiretroviral drugs exposure among HIV-infected men in Taiwan. A total of 200 patients’ data were collected with a mean age of 32.9. Among them, those who had CD4 positive cell number less than 350/mL were eligible to have highly active antiretroviral therapy (HAART). Patients were divided into group-1 that contains 45 treatment-naïve participants, and group-2 that includes 155 HAART treatment-experienced participants. MetS prevalence between group-1 and group-2 was 18% and 31%, respectively. The Framingham Risk Score (FRS) for the naïve and experienced groups were 4.7 ± 4.2 and 3.87 ± 5.92, respectively. High triglyceride (TG > 150 mg/dL) in group-1 and group-2 were 15.6% and 36.6% (p < 0.05), whereas, lower high-density lipoprotein (HDL < 39 mg/dL) in group-1 and group-2 presented as 76.7% versus 51% (p < 0.05), respectively. In group-2, treatment with protease inhibitors (PIs) resulted in higher TG levels when compared with non-nucleotide reverse transcriptase inhibitors (NNRTIs) and integrase inhibitors (InSTIs). The prevalence of MetS in the treatment-naïve group was lower than that of the treatment-experienced group; high TG level resulted in higher MetS prevalence in the treatment-experienced group. In contrast, the cardiovascular risk of FRS in the treatment-naïve group was higher than that of the treatment-experienced group, which may result from the low HDL level. Although group-1 participants have a higher risk of developing CVDs, in group-2, an increasing TG level in PIs user indicated higher CVDs risk. TG and HDL are two significant biofactors that required regular evaluation in HIV-positive individuals.
New Psychoactive Substances and Suicidality: A Systematic Review of the Current Literature
Authors: Chiappini Stefania , Mosca Alessio , Miuli Andrea , Santovito Maria Chiara , Orsolini Laura , Corkery John Martin , Guirguis Amira , Pettorruso Mauro , Martinotti Giovanni , Di Giannantonio Massimo , Schifano Fabrizio
Published: June 2021

Background and Objectives: Over the past twenty years a large number of new psychoactive substances (NPS) have entered and modified the recreational drug scene. Their intake has been associated with health-related risks, especially so for vulnerable populations such as people with severe mental illness, who might be at higher risk of suicidality or self-injurious behavior. This paper aims at providing an overview of NPS abuse and the effects on mental health and suicidality issues, by performing a literature review of the current related knowledge, thereby identifying those substances that, more than others, are linked to suicidal behaviors. Materials and Methods: A comprehensive and updated overview of the literature regarding suicidality and NPS categories has been undertaken. An electronic search was performed, including all papers published up to March 2021, using the following keywords “NPS” OR “new psychoactive substances” OR “novel psychoactive substances” OR “synthetic cannabinoids” OR “phenethylamines” OR “synthetic cathinones” OR “tryptamines” OR “piperazines” OR “new synthetic opioids” OR “designer benzodiazepines” AND (“suicide” OR “suicidality”) NOT review NOT animal on the PubMed, Cochrane Library, and Web of Science online databases. Results: Suicidality and self-injurious behavior appear to be frequently associated with some NPS such as cathinones, synthetic cannabinoids, and new synthetic opioids. The results are organized according to the substances recorded. Conclusion: The growing use of NPS has become a significant clinical issue, causing increasing concern and challenges for clinicians working in both mental health and emergency departments. Thus, considering the associations between NPS and suicidality or self-injurious behaviors, areas where suicide-prevention efforts and strategies might be focused are the early detection, monitoring, and restriction of NPS.
How Did Prenatal Education Impact Women’s Perception of Pregnancy and Postnatal Life in a Romanian Population
Authors: Balasoiu Anca Maria , Olaru Octavian Gabriel , Sima Romina Marina , Ples Liana
Published: June 2021

Background and Objectives: Prenatal education represents an important part of maternal prenatal care in Western countries. In Romania, prenatal education is of recent interest but there is no official information about prenatal courses and their impact on prenatal care and patients in Romania. Material and methods: A prospective study based on the STROBE statement was designed in order to assess the prenatal education delivered in our unit. The study group included women who gave birth at Bucur Maternity, “Saint. John” Hospital, Bucharest, Romania and attended the prenatal courses, compared with a control group (women who gave birth in our unit but did not attend the prenatal lecture). Patients’ perception about the impact of prenatal education was collected by applying a questionnaire. Results: The analysis included 89 women who fulfilled the questionnaire online. In our study, 62 women (69.7%) attended the prenatal education classes and represented the study group while 27 women (30.3%) constituted the control group. Women who attended the prenatal lecture recognized the utility of the topic regarding newborn care (90.3%), while women from the control group did not consider it useful (n = 55.6%), χ2 = 18.412, p < 0.001. Patients from the study group admitted the importance of the topics (93.5%) from the lectures about breast feeding, while the percentage of these women from the control group is significantly lower (55.6%) χ2 = 27.867, p < 0.001. Conclusions: The benefits of prenatal education were recognized by women who attended the prenatal lecture, while women who did not participate underestimated the utility of the topics. Further actions are required to inform mothers about the necessity of antenatal education.
Flue Gas Desulfurization (FGD) Wastewater Treatment Using Polybenzimidazole (PBI) Hollow Fiber (HF) Membranes
Authors: Wales Michael , Gebremichael Eminet , Wang Xiao , Perea Elisabeth , Jayaweera Palitha , Jayaweera Indira
Published: June 2021

Polybenzimidazole (PBI) hollow fiber membranes were used to treat flue gas desulfurization (FGD) wastewater (WW) from a coal fired power plant. Membranes were tested using both single salt solutions and real FGD WW. The PBI membranes showed >99% rejection for single salt solutions of NaCl, MgCl2, CaSO4, and CaCl2 at approximately 2000 PPM (parts per million). The membranes also showed >97% rejection for FGD WW concentrations ranging from 6900 to 14,400 PPM total dissolved solids (TDS). The pH of the FGD WW was adjusted between 3.97–8.20, and there was an optimal pH between 5.31 and 7.80 where %rejection reached a maximum of >99%. The membranes were able to operate stably up to 50 °C, nearly doubling the water flux as compared to room temperature, and while maintaining >98% salt rejection.
Aluminium Alloy Foam Modelling and Prediction of Elastic Properties Using X-ray Microcomputed Tomography
Authors: Heitor Diogo , Duarte Isabel , Dias-de-Oliveira João
Published: June 2021

X-ray microcomputed tomography has been gaining relevance in the field of cellular materials to characterize materials and analyse their microstructure. So, here, it was used together with finite element modelling to develop numerical models to estimate the effective properties (Young’s modulus) of aluminium alloy foams and evaluate the effects of processing on the results. A manual global thresholding technique using the mass as a quality indicator was used. The models were reconstructed (Marching Cubes 33), then simplified and analysed in terms of mass and shape maintenance (Hausdorff distance algorithm) and face quality. Two simplification procedures were evaluated, with and without small structural imperfections, to evaluate the impact of the procedures on the results. Results demonstrate that the developed procedures are good at minimizing changes in mass and shape of the geometries while providing good face quality, i.e., face aspect ratio. The models are also shown to be able to predict the effective properties of metallic foams in accordance with the findings of other researchers. In addition, the process of obtaining the models and the presence of small structural imperfections were shown to have a great impact on the results.
Microstructure and Hardness Evolution of Solution Annealed Inconel 625/TiC Composite Processed by Laser Powder Bed Fusion
Authors: Marchese Giulio , Aversa Alberta , Bassini Emilio
Published: June 2021

This study deals with the Inconel 625 (IN625) alloy reinforced with micro-TiC particles processed by laser powder bed fusion. The microstructure and hardness in the as-built and solution-annealed states were investigated. The microstructures of the as-built IN625 and IN625/TiC states were primarily made up of columnar grains along the building direction. After the solution annealing at 1150 °C for 2 h, the IN625 alloy consisted of equiaxed grains due to recrystallization and grain growth. On the contrary, the solution-annealed IN625/TiC composite still presented columnar grains. Therefore, the TiC particles hinder the recrystallization, indicating higher microstructure stability for the composite. For the IN625/TiC composite, both the reduced alteration of the grains and the more intensive formation of carbides prevent a remarkable hardness reduction in the solution-annealed state.
Mitochondria in Myelinating Oligodendrocytes: Slow and Out of Breath?
Authors: Meyer Niklas , Rinholm Johanne Egge
Published: June 2021

Myelin is a lipid-rich membrane that wraps around axons and facilitates rapid action potential propagation. In the brain, myelin is synthesized and maintained by oligodendrocytes. These cells have a high metabolic demand that requires mitochondrial ATP production during the process of myelination, but they rely less on mitochondrial respiration after myelination is complete. Mitochondria change in morphology and distribution during oligodendrocyte development. Furthermore, the morphology and dynamic properties of mitochondria in mature oligodendrocytes seem different from any other brain cell. Here, we first give a brief introduction to oligodendrocyte biology and function. We then review the current knowledge on oligodendrocyte metabolism and discuss how the available data on mitochondrial morphology and mobility as well as transcriptome and proteome studies can shed light on the metabolic properties of oligodendrocytes.
A New Look at the Genus Solobacterium: A Retrospective Analysis of Twenty-Seven Cases of Infection Involving S. moorei and a Review of Sequence Databases and the Literature
Authors: Alauzet Corentine , Aujoulat Fabien , Lozniewski Alain , Ben Brahim Safa , Domenjod Chloé , Enault Cécilia , Lavigne Jean-Philippe , Marchandin Hélène
Published: June 2021

Solobacterium moorei is an anaerobic Gram-positive bacillus present within the oral and the intestinal microbiota that has rarely been described in human infections. Besides its role in halitosis and oral infections, S. moorei is considered to be an opportunistic pathogen causing mainly bloodstream and surgical wound infections. We performed a retrospective study of 27 cases of infections involving S. moorei in two French university hospitals between 2006 and 2021 with the aim of increasing our knowledge of this unrecognized opportunistic pathogen. We also reviewed all the data available in the literature and in genetic and metagenomic sequence databases. In addition to previously reported infections, S. moorei had been isolated from various sites and involved in intra-abdominal, osteoarticular, and cerebral infections more rarely or not previously reported. Although mostly involved in polymicrobial infections, in seven cases, it was the only pathogen recovered. Not included in all mass spectrometry databases, its identification can require 16S rRNA gene sequencing. High susceptibility to antibiotics (apart from rifampicin, moxifloxacin, and clindamycin; 91.3%, 11.8%, and 4.3% of resistant strains, respectively) has been noted. Our global search strategy revealed S. moorei to be human-associated, widely distributed in the human microbiota, including the vaginal and skin microbiota, which may be other sources for infection in addition to the oral and gut microbiota.
Methanogenesis at High Temperature, High Ionic Strength and Low pH in the Volcanic Area of Dallol, Ethiopia
Authors: Sanz Jose L. , Rodríguez Nuria , Escudero Cristina , Carrizo Daniel , Amils Ricardo , Gómez Felipe
Published: June 2021

The Dallol geothermal area originated as a result of seismic activity and the presence of a shallow underground volcano, both due to the divergence of two tectonic plates. In its ascent, hot water dissolves and drags away the subsurface salts. The temperature of the water that comes out of the chimneys is higher than 100 °C, with a pH close to zero and high mineral concentration. These factors make Dallol a polyextreme environment. So far, nanohaloarchaeas, present in the salts that form the walls of the chimneys, have been the only living beings reported in this extreme environment. Through the use of complementary techniques: culture in microcosms, methane stable isotope signature and hybridization with specific probes, the methanogenic activity in the Dallol area has been assessed. Methane production in microcosms, positive hybridization with the Methanosarcinales probe and the δ13CCH4-values measured, show the existence of extensive methanogenic activity in the hydrogeothermic Dallol system. A methylotrophic pathway, carried out by Methanohalobium and Methanosarcina-like genera, could be the dominant pathway for methane production in this environment.
Genotypic and Phenotypic Characterization of Highly Alkaline-Resistant Carnobacterium maltaromaticum V-Type ATPase from the Dairy Product Based on Comparative Genomics
Authors: Roh HyeongJin , Kim Do-Hyung
Published: June 2021

Although Carnobacterium maltaromaticum derived from dairy products has been used as a lactic acid bacterium industrially, several studies have reported potential pathogenicity and disease outbreaks. Because strains derived from diseased fish and dairy products are considered potentially virulent and beneficial, respectively, their genotypic and phenotypic characteristics have attracted considerable attention. A genome-wide comparison of 30 genome sequences (13, 3, and 14 strains from diseased aquatic animals, dairy products, and processed food, respectively) was carried out. Additionally, one dairy and two nondairy strains were incubated in nutrient-rich (diluted liquid media) and nutrient-deficient environments (PBS) at pH 10 to compare their alkaline resistance in accordance with different nutritional environments by measuring their optical density and viable bacterial cell counts. Interestingly, only dairy strains carried 11 shared accessory genes, and 8 genes were strongly involved in the V-type ATPase gene cluster. Given that V-type ATPase contributes to resistance to alkaline pH and salts using proton motive force generated via sodium translocation across the membrane, C. maltaromaticum with a V-type ATPase might use nutrients in food under high pH. Indeed, the dairy strain carrying the V-type ATPase exhibited the highest alkaline resistance only in the nutrient-rich environment with significant upregulation of V-type ATPase expression. These results suggest that the gene cluster of V-type ATPase and increased alkaline resistance of dairy strains facilitate adaptation in the long-term ripening of alkaline dairy products.
May Bacterial Infections Trigger Bullous Pemphigoid? Case Report and Review of Literature
Authors: Biondo Michela Ileen , Fiorentino Chiara , Persechino Severino , Tammaro Antonella , Koverech Angela , Bartolazzi Armando , Raffa Salvatore , Canzoni Marco , Picchianti-Diamanti Andrea , Di Rosa Roberta , Di Zenzo Giovanni , Scala Enrico , Meneguzzi Giorgia , Ferlito Claudia , Markovic Milica , Caporuscio Sara , Sorgi Maria Laura , Salemi Simonetta , Laganà Bruno
Published: June 2021

Bullous pemphigoid (BP) is an autoimmune blistering skin disease, mainly observed in the elderly. Infections have been suggested as possible disease triggers. However, infections may even heavily influence the disease clinical course and mortality. A 75-year-old woman was admitted to hospital for severe erythematosus blistering disease, accompanied by hyper-eosinophilia and hyper-IgE. The culture of bullous fluid was positive for Enterococcus faecalis, the blood culture was positive for Staphylococcus aureus, and the urine culture was positive for Proteus mirabilis and Escherichia coli. Moreover, circulating anti-BP180 IgG was present and the histopathological/ultrastructural examination of a lesional skin biopsy was compatible with BP. High eosinophil levels (up to 3170/µL) were found throughout the clinical course, while values below 1000/µL were associated with clinical improvement. The total IgE was 1273 IU/mL, and specific anti-G/V-penicillin/ampicillin IgE antibodies were positive. The patient had a complete clinical recovery in two months with methyl-prednisolone (40 then 20 mg/day) and low-dose azathioprine (50 mg/day) as a steroid-sparing agent. The steroid treatment was tapered until interruption during a one-year period and intravenous immunoglobulins have been administered for three years in order for azathioprine to also be interrupted. The patient stopped any treatment five years ago and, in this period, has always been in good health. In this case, the contemporaneous onset of different bacterial infections and BP is suggestive of bacterial infections acting as BP trigger(s), with allergic and autoimmune pathways contributing to the disease pathogenesis.
Reversion of Gut Microbiota during the Recovery Phase in Patients with Asymptomatic or Mild COVID-19: Longitudinal Study
Authors: Kim Han-Na , Joo Eun-Jeong , Lee Chil-Woo , Ahn Kwang-Sung , Kim Hyung-Lae , Park Dong-Il , Park Soo-Kyung
Published: June 2021

Patients with COVID-19 have been reported to experience gastrointestinal symptoms as well as respiratory symptoms, but the effects of COVID-19 on the gut microbiota are poorly understood. We explored gut microbiome profiles associated with the respiratory infection of SARS-CoV-2 during the recovery phase in patients with asymptomatic or mild COVID-19. A longitudinal analysis was performed using the same patients to determine whether the gut microbiota changed after recovery from COVID-19. We applied 16S rRNA amplicon sequencing to analyze two paired fecal samples from 12 patients with asymptomatic or mild COVID-19. Fecal samples were selected at two time points: during SARS-CoV-2 infection (infected state) and after negative conversion of the viral RNA (recovered state). We also compared the microbiome data with those from 36 healthy controls. Microbial evenness of the recovered state was significantly increased compared with the infected state. SARS-CoV-2 infection induced the depletion of Bacteroidetes, while an abundance was observed with a tendency to rapidly reverse in the recovered state. The Firmicutes/Bacteroidetes ratio in the infected state was markedly higher than that in the recovered state. Gut dysbiosis was observed after infection even in patients with asymptomatic or mild COVID-19, while the composition of the gut microbiota was recovered after negative conversion of SARS-CoV-2 RNA. Modifying intestinal microbes in response to COVID-19 might be a useful therapeutic alternative.
Dissolution of Carbonate Rocks in a Laboratory Setting: Rates and Textures
Authors: Larson Erik B. , Emmons Ronald V.
Published: June 2021

Determining the dissolution rates of carbonate rocks is vital to advancing our understanding of cave, karst, and landscape processes. Furthermore, the role of carbonate dissolution is important for the global carbon budget and climate change. A laboratory experiment was setup to calculate the dissolution rates of two whole rock carbonate samples with different petrographic makeup (ooids and brachiopods). The carbonate rock samples were also explored under a scanning electron microscope to evaluate the textures that developed after dissolution The oolitic limestone dissolved at a rate of 1579 cm yr−1, and the pentamerous limestone (dolostone) dissolved at a rate of 799 cm yr−1. Both rocks did not dissolve evenly across their surface as indicated by scanning electron microscopy, it appears the allochems dissolved preferentially to the matrix/cement of the rocks and that some mechanical weathering happened as well. This work reports that the petrography and mineralogy of carbonate rocks is important to consider when exploring the cave, karst, and landscape evolution and that attention should be paid to the petrography of carbonate rocks when considering the global carbon budget.
Current Modulation of Guanylate Cyclase Pathway Activity—Mechanism and Clinical Implications
Authors: Grześk Grzegorz , Nowaczyk Alicja
Published: June 2021

For years, guanylate cyclase seemed to be homogenic and tissue nonspecific enzyme; however, in the last few years, in light of preclinical and clinical trials, it became an interesting target for pharmacological intervention. There are several possible options leading to an increase in cyclic guanosine monophosphate concentrations. The first one is related to the uses of analogues of natriuretic peptides. The second is related to increasing levels of natriuretic peptides by the inhibition of degradation. The third leads to an increase in cyclic guanosine monophosphate concentration by the inhibition of its degradation by the inhibition of phosphodiesterase type 5. The last option involves increasing the concentration of cyclic guanosine monophosphate by the additional direct activation of soluble guanylate cyclase. Treatment based on the modulation of guanylate cyclase function is one of the most promising technologies in pharmacology. Pharmacological intervention is stable, effective and safe. Especially interesting is the role of stimulators and activators of soluble guanylate cyclase, which are able to increase the enzymatic activity to generate cyclic guanosine monophosphate independently of nitric oxide. Moreover, most of these agents are effective in chronic treatment in heart failure patients and pulmonary hypertension, and have potential to be a first line option.
Topical Astodrimer Sodium, a Non-Toxic Polyanionic Dendrimer, Demonstrates Antiviral Activity in an Experimental Ocular Adenovirus Infection Model
Authors: Romanowski Eric G. , Yates Kathleen A. , Paull Jeremy R. A. , Heery Graham P. , Shanks Robert M. Q.
Published: June 2021

There is no approved antiviral therapy for adenovirus (HAdV) ocular infections. Astodrimer sodium (SPL7013) is a polyanionic dendrimer with antiviral activity. The current study evaluated the ocular tolerability and anti-adenoviral efficacy of topical SPL7013 in rabbit ocular models. In a tolerability study, rabbits were treated with 3% SPL7013, vehicle, or 0.5% cidofovir. Their eyes were graded using the Draize scale. In antiviral efficacy studies, HAdV5 inoculated eyes were treated with 3% SPL7013, vehicle, or 0.5% cidofovir. Eyes were cultured for the virus on days 0, 1, 3, 4, 5, 7, 9, 11, and 14. Viral titers were determined. There were no differences in Draize scores between 3% SPL7013 and vehicle on any day. Cidofovir produced significantly higher Draize scores on day 12 than SPL7013 and vehicle. The 3% SPL7013 and 0.5% cidofovir significantly reduced daily viral titers and positive cultures per total compared with vehicle on several different days. The 3% SPL7013 and 0.5% cidofovir significantly reduced the duration of HAdV5 shedding compared to vehicle. The 3% SPL7013 demonstrated significantly more antiviral activity compared with vehicle in the Ad5/NZW rabbit ocular model. The 3% SPL7013 induced “minimal” to “practically non-irritating” Draize scores in the ocular tolerability study. Further development of astodrimer sodium as a topical antiviral therapy for adenoviral ocular infections is indicated.
Secondary Effects of Hypochlorite Treatment on the Emerging Pollutant Candesartan: The Formation of Degradation Byproducts and Their Toxicological Profiles
Authors: Luongo Giovanni , Saviano Lorenzo , Libralato Giovanni , Guida Marco , Siciliano Antonietta , Previtera Lucio , Di Fabio Giovanni , Zarrelli Armando
Published: June 2021

In recent years, many studies have reported the frequent detection of antihypertensive agents such as sartans (olmesartan, valsartan, irbesartan and candesartan) in the influents and effluents of wastewater treatment plants (WWTPs) and in the superficial waters of rivers and lakes in both Europe and North America. In this paper, the degradation pathway for candesartan (CAN) was investigated by simulating the chlorination process that is normally used to reduce microbial contamination in a WWTP. Twelve isolated degradation byproducts (DPs), four of which were isolated for the first time, were separated on a C-18 column by employing a gradient HPLC method, and their structures were identified by combining nuclear magnetic resonance and mass spectrometry and comparing the results with commercial standards. On the basis of these results, a mechanism of formation starting from the parent drug is proposed. The ecotoxicity of CAN and its DPs was studied by conducting a battery of ecotoxicity tests; bioassays were performed using Aliivibrio fischeri (bacterium), Daphnia magna (planktonic crustacean) and Raphidocelis subcapitata (alga). The ecotoxicity results shed new light on the increased toxicity of DPs compared with the parent compound.
A Bifunctional Peptide Conjugate That Controls Infections of Erwinia amylovora in Pear Plants
Authors: Caravaca-Fuentes Pau , Camó Cristina , Oliveras Àngel , Baró Aina , Francés Jesús , Badosa Esther , Planas Marta , Feliu Lidia , Montesinos Emilio , Bonaterra Anna
Published: June 2021

In this paper, peptide conjugates were designed and synthesized by incorporating the antimicrobial undecapeptide BP16 at the C- or N-terminus of the plant defense elicitor peptide flg15, leading to BP358 and BP359, respectively. The evaluation of their in vitro activity against six plant pathogenic bacteria revealed that BP358 displayed MIC values between 1.6 and 12.5 μM, being more active than flg15, BP16, BP359, and an equimolar mixture of BP16 and flg15. Moreover, BP358 was neither hemolytic nor toxic to tobacco leaves. BP358 triggered the overexpression of 6 out of the 11 plant defense-related genes tested. Interestingly, BP358 inhibited Erwinia amylovora infections in pear plants, showing slightly higher efficacy than the mixture of BP16 and flg15, and both treatments were as effective as the antibiotic kasugamycin. Thus, the bifunctional peptide conjugate BP358 is a promising agent to control fire blight and possibly other plant bacterial diseases.
Chemical Conversion of Hardly Ionizable Rhenium Aryl Chlorocomplexes with p-Substituted Anilines
Authors: Štícha Martin , Jelínek Ivan , Vlk Mikuláš
Published: June 2021

Fast and selective analytical methods help to ensure the chemical identity and desired purity of the prepared complexes before their medical application, and play an indispensable role in clinical practice. Mass spectrometry, despite some limitations, is an integral part of these methods. In the context of mass spectrometry, specific problems arise with the low ionization efficiency of particular analytes. Chemical derivatization was used as one of the most effective methods to improve the analyte’s response and separation characteristics. The Schotten–Baumann reaction was successfully adapted for the derivatization of ESI hardly ionizable Re(VII) bis(catechol) oxochlorocomplex. Various alkyl and halogen p-substituted anilines as possible derivatization agents were tested. Unlike the starting complex, the reaction products were easily ionizable in electrospray, providing structurally characteristic molecular and fragment anions. DFT computer modeling, which proposed significant conformation changes of prepared complexes within their deprotonation, proved to have a close link to MS spectra. High-resolution MS and MS/MS measurements complemented with collision-induced dissociation experiments for detailed specification of prepared complexes’ fragmentation pathways were used. The specified fragmentation schemes were analogous for all studied derivatives, with an exception for [Re(O)(Cat)2PIPA].
Recent Advances of Cell Membrane Coated Nanoparticles in Treating Cardiovascular Disorders
Authors: Zhu Chaojie , Ma Junkai , Ji Zhiheng , Shen Jie , Wang Qiwen
Published: June 2021

Cardiovascular diseases (CVDs) are the leading cause of death worldwide, causing approximately 17.9 million deaths annually, an estimated 31% of all deaths, according to the WHO. CVDs are essentially rooted in atherosclerosis and are clinically classified into coronary heart disease, stroke and peripheral vascular disorders. Current clinical interventions include early diagnosis, the insertion of stents, and long-term preventive therapy. However, clinical diagnostic and therapeutic tools are subject to a number of limitations including, but not limited to, potential toxicity induced by contrast agents and unexpected bleeding caused by anti-platelet drugs. Nanomedicine has achieved great advancements in biomedical area. Among them, cell membrane coated nanoparticles, denoted as CMCNPs, have acquired enormous expectations due to their biomimetic properties. Such membrane coating technology not only helps avoid immune clearance, but also endows nanoparticles with diverse cellular and functional mimicry. In this review, we will describe the superiorities of CMCNPs in treating cardiovascular diseases and their potentials in optimizing current clinical managements.
A Combined Experimental and Theoretical Study of Nitrofuran Antibiotics: Crystal Structures, DFT Computations, Sublimation and Solution Thermodynamics
Authors: Manin Alex N. , Drozd Ksenia V. , Voronin Alexander P. , Churakov Andrei V. , Perlovich German L.
Published: June 2021

Single crystal of furazolidone (FZL) has been successfully obtained, and its crystal structure has been determined. Common and distinctive features of furazolidone and nitrofurantoin (NFT) crystal packing have been discussed. Combined use of QTAIMC and Hirshfeld surface analysis allowed characterizing the non-covalent interactions in both crystals. Thermophysical characteristics and decomposition of NFT and FZL have been studied by differential scanning calorimetry (DSC), thermogravimetric analysis (TG) and mass-spectrometry. The saturated vapor pressures of the compounds have been measured using the transpiration method, and the standard thermodynamic functions of sublimation were calculated. It was revealed that the sublimation enthalpy and Gibbs energy of NFT are both higher than those for FZL, but a gain in the crystal lattice energy of NFT is leveled by an entropy increase. The solubility processes of the studied compounds in buffer solutions with pH 2.0, 7.4 and in 1-octanol was investigated at four temperatures from 298.15 to 313.15 K by the saturation shake-flask method. The thermodynamic functions of the dissolution and solvation processes of the studied compounds have been calculated based on the experimental data. Due to the fact that NFT is unstable in buffer solutions and undergoes a solution-mediated transformation from an anhydrate form to monohydrate in the solid state, the thermophysical characteristics and dissolution thermodynamics of the monohydrate were also investigated. It was demonstrated that a combination of experimental and theoretical methods allows performing an in-depth study of the relationships between the molecular and crystal structure and pharmaceutically relevant properties of nitrofuran antibiotics.
Applications of Fruit Polyphenols and Their Functionalized Nanoparticles Against Foodborne Bacteria: A Mini Review
Authors: Kumar Harsh , Bhardwaj Kanchan , Cruz-Martins Natália , Nepovimova Eugenie , Oleksak Patrik , Dhanjal Daljeet Singh , Bhardwaj Sonali , Singh Reena , Chopra Chirag , Verma Rachna , Chauhan Prem Parkash , Kumar Dinesh , Kuča Kamil
Published: June 2021

The ingestion of contaminated water and food is known to cause food illness. Moreover, on assessing the patients suffering from foodborne disease has revealed the role of microbes in such diseases. Concerning which different methods have been developed for protecting food from microbes, the treatment of food with chemicals has been reported to exhibit an unwanted organoleptic effect while also affecting the nutritional value of food. Owing to these challenges, the demand for natural food preservatives has substantially increased. Therefore, the interest of researchers and food industries has shifted towards fruit polyphenols as potent inhibitors of foodborne bacteria. Recently, numerous fruit polyphenols have been acclaimed for their ability to avert toxin production and biofilm formation. Furthermore, various studies have recommended using fruit polyphenols solely or in combination with chemical disinfectants and food preservatives. Currently, different nanoparticles have been synthesized using fruit polyphenols to curb the growth of pathogenic microbes. Hence, this review intends to summarize the current knowledge about fruit polyphenols as antibacterial agents against foodborne pathogens. Additionally, the application of different fruit extracts in synthesizing functionalized nanoparticles has also been discussed.
Competition of Intra- and Intermolecular Forces in Anthraquinone and Its Selected Derivatives
Authors: Raczyński Kamil , Pihut Andrzej , Panek Jarosław J. , Jezierska Aneta
Published: June 2021

Intra- and intermolecular forces competition was investigated in the 9,10-anthraquinone (1) and its derivatives both in vacuo and in the crystalline phase. The 1,8-dihydroxy-9,10-anthraquinone (2) and 1,8-dinitro-4,5-dihydroxy-anthraquinone (3) contain Resonance-Assisted Hydrogen Bonds (RAHBs). The intramolecular hydrogen bonds properties were studied in the electronic ground and excited states employing Møller-Plesset second-order perturbation theory (MP2), Density Functional Theory (DFT) method in its classical formulation as well as its time-dependent extension (TD-DFT). The proton potential functions were obtained via scanning the OH distance and the dihedral angle related to the OH group rotation. The topological analysis was carried out on the basis of theories of Atoms in Molecules (AIM—molecular topology, properties of critical points, AIM charges) and Electron Localization Function (ELF—2D maps showing bonding patterns, calculation of electron populations in the hydrogen bonds). The Symmetry-Adapted Perturbation Theory (SAPT) was applied for the energy decomposition in the dimers. Finally, Car–Parrinello molecular dynamics (CPMD) simulations were performed to shed light onto bridge protons dynamics upon environmental influence. The vibrational features of the OH stretching were revealed using Fourier transformation of the autocorrelation function of atomic velocity. It was found that the presence of OH and NO2 substituents influenced the geometric and electronic structure of the anthraquinone moiety. The AIM and ELF analyses showed that the quantitative differences between hydrogen bonds properties could be neglected. The bridged protons are localized on the donor side in the electronic ground state, but the Excited-State Intramolecular Proton Transfer (ESIPT) was noticed as a result of the TD-DFT calculations. The hierarchy of interactions determined by SAPT method indicated that weak hydrogen bonds play modifying role in the organization of these crystal structures, but primary ordering factor is dispersion. The CPMD crystalline phase results indicated bridged proton-sharing in the compound 2.
Genome-Wide Analysis of the UGT Gene Family and Identification of Flavonoids in Broussonetia papyrifera
Authors: Wang Fenfen , Su Yalei , Chen Naizhi , Shen Shihua
Published: June 2021

Broussonetia papyrifera is a multifunctional deciduous tree that is both a food and a source of traditional Chinese medicine for both humans and animals. Further analysis of the UGT gene family is of great significance to the utilization of B. papyrifera. The substrates of plant UGT genes include highly diverse and complex chemicals, such as flavonoids and terpenes. In order to deepen our understanding of this family, a comprehensive analysis was performed. Phylogenetic analysis showed that 155 BpUGTs were divided into 15 subgroups. A conserved motif analysis showed that BpUGT proteins in the same subgroups possessed similar motif structures. Tandem duplication was the primary driving force for the expansion of the BpUGT gene family. The global promoter analysis indicated that they were associated with complex hormone regulatory networks and the stress response, as well as the synthesis of secondary metabolites. The expression pattern analysis showed that the expression level of BpUGTs in leaves and roots was higher than that in fruits and stems. Next, we determined the composition and content of flavonoids, the main products of the BpUGT reaction. A total of 19 compounds were isolated and analyzed by UPLC-ESI-MS/MS in 3 species of Broussonetia including B. kazinoki, B. papyrifera, and B. kazinoki × B. papyrifera, and the number of compounds was different in these 3 species. The total flavonoid content and antioxidant capacities of the three species were analyzed respectively. All assays exhibited the same trend: the hybrid paper mulberry showed a higher total flavonoid content, a higher total phenol content and higher antioxidant activity than the other two species. Overall, our study provides valuable information for understanding the function of BpUGTs in the biosynthesis of flavonoids.