bluuebunny/crossref_metadata_2025 huggingface dataset:
Variable Selection for Generalized Linear Models with Interval-Censored Failure Time Data
Authors: Liu Rong , Zhao Shishun , Hu Tao , Sun Jianguo
Published: February 2022

Variable selection is often needed in many fields and has been discussed by many authors in various situations. This is especially the case under linear models and when one observes complete data. Among others, one common situation where variable selection is required is to identify important risk factors from a large number of covariates. In this paper, we consider the problem when one observes interval-censored failure time data arising from generalized linear models, for which there does not seem to exist an established method. To address this, we propose a penalized least squares method with the use of an unbiased transformation and the oracle property of the method is established along with the asymptotic normality of the resulting estimators of regression parameters. Simulation studies were conducted and demonstrated that the proposed method performed well for practical situations. In addition, the method was applied to a motivating example about children’s mortality data of Nigeria.
Models of Optimal Operating Modes of the Water-Economic Complex on the Basis of Hydro Resource Price Evaluation
Authors: Sekretarev Yury , Myateg Tatyana , Gulakhmadov Aminjon , Safaraliev Murodbek , Mitrofanov Sergey , Zubova Natalya , Atamanova Olga , Chen Xi
Published: February 2022

The purpose of this article is to solve the problem of determining the cost of a water resource for the participants of the water-economic complex (WEC) on the basis of the optimal control of hydro power plants’ (HPP) functioning, taking into account their regime characteristics and requirements. In this work, a universal method, which combines an optimization method and a method for assessing marginal utility, was proposed to assess the cost of the hydro resource and control the operating modes of the WEC. The method developed by the authors involves the use of water balance, the adequate representation of the incremental rate characteristic and the determination of the cost of the hydro resource for the control of the operating modes of the WEC and HPP. Using the example of the Novosibirsk WEC, as well as HPPs and TPPs, an assessment of the energy efficiency, proposing the concept of a developed methodology for determining the price of water for HPPs and all participants in the WEC, will be obtained. Based on the results of the implementation of the developed approach at Novosibirsk HPPs, the electricity sales price competitive electricity market can be matched with the electricity sales price generated at TPP, which will be approximately 0.16 ¢/kW ∗ h.
Chemical Composition and In Vitro Antioxidant and Antimicrobial Activities of the Marine Cyanolichen Lichina pygmaea Volatile Compounds
Authors: Sanad Hiba , Belattmania Zahira , Nafis Ahmed , Hassouani Meryem , Mazoir Noureddine , Reani Abdeltif , Hassani Lahcen , Vasconcelos Vitor , Sabour Brahim
Published: February 2022

Volatile compounds from the marine cyanolichen Lichina pygmaea, collected from the Moroccan Atlantic coast, were extracted by hydrodistillation and their putative chemical composition was investigated by gas chromatography coupled to mass spectrometry (GC/MS). Based on the obtained results, Lichina pygmaea volatile compounds (LPVCs) were mainly dominated by sesquiterpenes compounds, where γ-himachalene, β-himachalene, (2E,4E)-2,4 decadienal and α-himachalene were assumed to be the most abundant constituents, with percentage of 37.51%, 11.71%, 8.59% and 7.62%, respectively. LPVCs depicted significant antimicrobial activity against all tested strains (Staphylococcus aureus CCMM B3, Pseudomonas aeruginosa DSM 50090, Escherichia coli ATCC 8739 and Candida albicans CCMM-L4) with minimum inhibitory concentration (MIC) values within the range of 1.69–13.5 mg/mL. Moreover, this LPVC showed interesting scavenging effects on the 2,2-diphenyl-1-picrylhydrazyl radical with an IC50 of 0.21 mg/mL. LPVCs could be an approving resource with moderate antimicrobial potential and interesting antioxidant activity for cosmetics and pharmaceutical applications.
Recent Achievements in Total Synthesis for Integral Structural Revisions of Marine Natural Products
Authors: Ha Min Woo , Kim Jonghoon , Paek Seung-Mann
Published: February 2022

A great effort to discover new therapeutic ingredients is often initiated through the discovery of the existence of novel marine natural products. Since substances produced by the marine environment might be structurally more complex and unique than terrestrial natural products, there have been cases of misassignments of their structures despite the availability of modern spectroscopic and computational chemistry techniques. When it comes to refutation to erroneously or tentatively proposed structures empirical preparations through organic chemical synthesis has the greatest contribution along with close and sophiscated inspection of spectroscopic data. Herein, we analyzed the total synthetic studies that have decisively achieved in revelation of errors, ambiguities, or incompleteness of the isolated structures of marine natural products covering the period from 2018 to 2021.
Marginal Impact of Brown Seaweed Ascophyllum nodosum and Fucus vesiculosus Extract on Metabolic and Inflammatory Response in Overweight and Obese Prediabetic Subjects
Authors: Vodouhè Marlène , Marois Julie , Guay Valérie , Leblanc Nadine , Weisnagel Stanley John , Bilodeau Jean-François , Jacques Hélène
Published: February 2022

The objective of the present study was to test whether a brown seaweed extract rich in polyphenols combined with a low-calorie diet would induce additional weight loss and improve blood glucose homeostasis in association with a metabolic and inflammatory response in overweight/obese prediabetic subjects. Fifty-six overweight/obese, dysglycemic, and insulin-resistant men and women completed a randomized, placebo-controlled, double-blind, and parallel clinical trial. Subjects were administrated 500 mg/d of either brown seaweed extract or placebo combined with individualized nutritional advice for moderate weight loss over a period of 12 weeks. Glycemic, anthropometric, blood pressure, heart rate, body composition, lipid profile, gut integrity, and oxidative and inflammatory markers were measured before and at the end of the trial. No effect was observed on blood glucose. We observed significant but small decreases in plasma C-peptide at 120 min during 2 h-OGTT (3218 ± 181 at pre-intervention vs. 2865 ± 186 pmol/L at post-intervention in the brown seaweed group; 3004 ± 199 at pre-intervention vs. 2954 ± 179 pmol/L at post-intervention in the placebo group; changes between the two groups, p = 0.002), heart rate (72 ± 10 at pre-intervention vs. 69 ± 9 (n/min) at post-intervention in the brown seaweed group; 68 ± 9 at pre-intervention vs. 68 ± 8 (n/min) at post-intervention in the placebo group; changes between the two groups, p = 0.01), and an inhibition in the increase of pro-inflammatory interleukin-6 (IL-6) (1.3 ± 0.7 at pre-intervention vs. 1.5 ± 0.7 pg/L at post-intervention in the brown seaweed group; 1.4 ± 1.1 at pre-intervention vs. 2.2 ± 1.6 pg/L at post-intervention in the placebo group; changes between the two groups, p = 0.02) following brown seaweed consumption compared with placebo in the context of moderate weight loss. Although consumption of brown seaweed extract had no effect on body weight or blood glucose, an early attenuation of the inflammatory response was observed in association with marginal changes in metabolic parameters related to the prevention of diabetes type 2.
Coelastrella terrestris for Adonixanthin Production: Physiological Characterization and Evaluation of Secondary Carotenoid Productivity
Authors: Doppler Philipp , Kriechbaum Ricarda , Käfer Maria , Kopp Julian , Remias Daniel , Spadiut Oliver
Published: February 2022

A novel strain of Coelastrella terrestris (Chlorophyta) was collected from red mucilage in a glacier foreland in Iceland. Its morphology showed characteristic single, ellipsoidal cells with apical wart-like wall thickenings. Physiological characterization revealed the presence of the rare keto-carotenoid adonixanthin, as well as high levels of unsaturated fatty acids of up to 85%. Initial screening experiments with different carbon sources for accelerated mixotrophic biomass growth were done. Consequently, a scale up to 1.25 L stirred photobioreactor cultivations yielded a maximum of 1.96 mg·L−1 adonixanthin in free and esterified forms. It could be shown that supplementing acetate to the medium increased the volumetric productivity after entering the nitrogen limitation phase compared to autotrophic control cultures. This study describes a promising way of biotechnological adonixanthin production using Coelastrella terrestris.
Retrosternal Goitre: Anatomical Aspects and Technical Notes
Authors: Battistella Enrico , Pomba Luca , Sidoti Gisella , Vignotto Chiara , Toniato Antonio
Published: February 2022

Background and Objectives: surgery for substernal goitre is still debated in the literature, due to the wide range of surgical options. This article outlines the findings of our extensive experiences, which include 264 cases of patients with “goitre plongeant“, and compares postoperative complications, despite surgical approaches. Material and Methods: preoperative planning and anatomical landmarks are described to determine the potential need of a combined approach. The surgical procedure is described, along with some stratagems, to ensure that the operation is completed safely. A statistical analysis of complications and the length of stay, with a comparison of cervicotomy and combined access, was performed using the Pearson chi-square significance test. Results: 264 patients underwent thyroid surgery for substernal goitre. The Kocher incision was the surgical approach chosen in 256 patients (96.6%), while an accessory incision was performed in 8 patients (3.4%). The necessity to use a two-fold surgical access was linked to a higher rate of postoperative complications (p-value < 0.01). The average length of stay (LOS) for cervicotomy was 2 days (1–3 days), while the average LOS was 5 days (4–7 days) (p-value = n.s.) for combined access. Conclusions: cervicotomy should be the gold standard technique for exploring intrathoracic goitre with a digital dissection, which, in almost all cases, enables the externalization of the mediastinal portion associated. Sternotomy is related to a higher rate of complications, so it should be performed only in selected cases. Management in large-volume centres may be more appropriate.
Comparing Perioperative Outcome Measures of the Dynamic Hip Screw and the Femoral Neck System
Authors: Niemann Marcel , Braun Karl F. , Ahmad Sufian S. , Stöckle Ulrich , Märdian Sven , Graef Frank
Published: February 2022

Background and Objective: Various fixation devices and surgical techniques are available for the management of proximal femur fractures. Recently, the femoral neck system (FNS) was introduced, and was promoted on the basis of less invasiveness, shorter operating time, and less fluoroscopy time compared to previous systems. The aim of this study was to compare two systems for the internal fixation of femoral neck fractures (FNF), namely the dynamic hip screw (DHS) with an anti-rotation screw (ARS) and an FNS. The outcome measures included operating room time (ORT), dose–area product (DAP), length of stay (LOS), perioperative changes in haemoglobin concentrations, and transfusion rate. Materials and Methods: A retrospective single-centre study was conducted. Patients treated for FNF between 1 January 2020 and 30 September 2021 were included, provided that they had undergone closed reduction and internal fixation. We measured the centrum-collum-diaphyseal (CCD) and the Pauwels angle preoperatively and one week postoperatively. Results: In total, 31 patients (16 females), with a mean age of 62.81 ± 15.05 years, were included. Fracture complexity assessed by the Pauwels and Garden classification did not differ between groups preoperatively. Nonetheless, the ORT (54 ± 26.1 min vs. 91.68 ± 23.96 min, p < 0.01) and DAP (721 ± 270.6 cGycm² vs. 1604 ± 1178 cGycm², p = 0.03) were significantly lower in the FNS group. The pre- and postoperative CCD and Pauwels angles did not differ statistically between groups. Perioperative haemoglobin concentration changes (–1.77 ± 1.19 g/dl vs. –1.74 ± 1.37 g/dl) and LOS (8 ± 5.27 days vs. 7.35 ± 3.43 days) were not statistically different. Conclusions: In this cohort, the ORT and DAP were almost halved in the patient group treated with FNS. This may confer a reduction in secondary risks related to surgery.
Qualitative and Quantitative Effects of Fatty Acids Involved in Heart Diseases
Authors: Moriyama Hidenori , Endo Jin , Ikura Hidehiko , Kitakata Hiroki , Momoi Mizuki , Shinya Yoshiki , Ko Seien , Ichihara Genki , Hiraide Takahiro , Shirakawa Kohsuke , Anzai Atsushi , Katsumata Yoshinori , Sano Motoaki
Published: February 2022

Fatty acids (FAs) have structural and functional diversity. FAs in the heart are closely associated with cardiac function, and their qualitative or quantitative abnormalities lead to the onset and progression of cardiac disease. FAs are important as an energy substrate for the heart, but when in excess, they exhibit cardio-lipotoxicity that causes cardiac dysfunction or heart failure with preserved ejection fraction. FAs also play a role as part of phospholipids that compose cell membranes, and the changes in mitochondrial phospholipid cardiolipin and the FA composition of plasma membrane phospholipids affect cardiomyocyte survival. In addition, FA metabolites exert a wide variety of bioactivities in the heart as lipid mediators. Recent advances in measurement using mass spectrometry have identified trace amounts of n-3 polyunsaturated fatty acids (PUFAs)-derived bioactive metabolites associated with heart disease. n-3 PUFAs have a variety of cardioprotective effects and have been shown in clinical trials to be effective in cardiovascular diseases, including heart failure. This review outlines the contributions of FAs to cardiac function and pathogenesis of heart diseases from the perspective of three major roles and proposes therapeutic applications and new medical perspectives of FAs represented by n-3 PUFAs.
Whole Blood Metabolite Profiles Reflect Changes in Energy Metabolism in Heart Failure
Authors: Beuchel Carl , Dittrich Julia , Pott Janne , Henger Sylvia , Beutner Frank , Isermann Berend , Loeffler Markus , Thiery Joachim , Ceglarek Uta , Scholz Markus
Published: February 2022

A variety of atherosclerosis and cardiovascular disease (ASCVD) phenotypes are tightly linked to changes in the cardiac energy metabolism that can lead to a loss of metabolic flexibility and to unfavorable clinical outcomes. We conducted an association analysis of 31 ASCVD phenotypes and 97 whole blood amino acids, acylcarnitines and derived ratios in the LIFE-Adult (n = 9646) and LIFE-Heart (n = 5860) studies, respectively. In addition to hundreds of significant associations, a total of 62 associations of six phenotypes were found in both studies. Positive associations of various amino acids and a range of acylcarnitines with decreasing cardiovascular health indicate disruptions in mitochondrial, as well as peroxisomal fatty acid oxidation. We complemented our metabolite association analyses with whole blood and peripheral blood mononuclear cell (PBMC) gene-expression analyses of fatty acid oxidation and ketone-body metabolism related genes. This revealed several differential expressions for the heart failure biomarker N-terminal prohormone of brain natriuretic peptide (NT-proBNP) in peripheral blood mononuclear cell (PBMC) gene expression. Finally, we constructed and compared three prediction models of significant stenosis in the LIFE-Heart study using (1) traditional risk factors only, (2) the metabolite panel only and (3) a combined model. Area under the receiver operating characteristic curve (AUC) comparison of these three models shows an improved prediction accuracy for the combined metabolite and classical risk factor model (AUC = 0.78, 95%-CI: 0.76–0.80). In conclusion, we improved our understanding of metabolic implications of ASCVD phenotypes by observing associations with metabolite concentrations and gene expression of the mitochondrial and peroxisomal fatty acid oxidation. Additionally, we demonstrated the predictive potential of the metabolite profile to improve classification of patients with significant stenosis.
Intra-Specific Diversity of Leishmania major Isolates: A Key Determinant of Tunisian Zoonotic Cutaneous Leishmaniasis Clinical Polymorphism
Authors: Attia Hanene , Sghaier Manel , Bali Aymen , Guerfali Fatma , Chlif Sadok , Atri Chiraz , Belhaj-Hamida Nabil , Zaatour Amor , Gharbi Adel , Ben-Salah Afif , Dellagi Koussay , Laouini Dhafer
Published: February 2022

The clinical expression of zoonotic cutaneous leishmaniasis (ZCL) caused by Leishmania (L.) major parasites has a broad spectrum ranging from asymptomatic infection to self-limited cutaneous sores or severe disease. In concert with the host immune responses, the vector variability and the number of bites, genetic variation between L. major isolates might impact on the clinical output of the disease. We investigated herein the intra-specific variability of L. major field isolates independently of host or vector factors and then tried to correlate parasite variability to ZCL severity in corresponding patients. Several assays were applied, i.e., in vivo pathogenicity of promastigotes in a BALB/c mice model, resistance/sensibility to complement lysis, in vitro growth kinetics, and expression of different lectins on the promastigote surface. Combining all these parameters allowed us to conclude that the resistance to complement lysis and PNA/Jacalin lectins binding to parasite surfaces are important markers of parasite virulence. These factors correlate significantly with clinic polymorphism of ZCL and modestly with genetic micro-heterogeneity, a characteristic we previously revealed with a MLMT profile.
A New 3-Ketosteroid-Δ1–Dehydrogenase with High Activity and Broad Substrate Scope for Efficient Transformation of Hydrocortisone at High Substrate Concentration
Authors: Wang Yu , Zhang Rui , Feng Jinhui , Wu Qiaqing , Zhu Dunming , Ma Yanhe
Published: February 2022

3-Ketosteroid-Δ1-dehydrogenases (KstDs [EC 1.3.99.4]) catalyze the Δ1-dehydrogenation of steroids and are a class of important enzymes for steroid biotransformations. In this study, nine putative kstD genes from different origins were selected and overexpressed in Escherichia coli BL21(DE3). These recombinant enzymes catalyzed the Δ1-desaturation of a variety of steroidal compounds. Among them, the KstD from Propionibacterium sp. (PrKstD) displayed the highest specific activity and broad substrate spectrum. The detailed catalytic characterization of PrKstD showed that it can convert a wide range of 3-ketosteroid compounds with diverse substituents, ranging from substituents at the C9, C10, C11 and C17 position through substrates without C4-C5 double bond, to previously inactive C6-substituted ones such as 11β,17-dihydroxy-6α-methyl-pregn-4-ene-3,20-dione. Reaction conditions were optimized for the biotransformation of hydrocortisone in terms of pH, temperature, co-solvent and electron acceptor. By using 50 g/L wet resting E. coli cells harboring PrKstD enzyme, the conversion of hydrocortisone was about 92.5% within 6 h at the substrate concentration of 80 g/L, much higher than the previously reported results, demonstrating the application potential of this new KstD.
Alum Addition Triggers Hypoxia in an Engineered Pit Lake
Authors: Jessen Gerdhard L. , Chen Lin-Xing , Mori Jiro F. , Nelson Tara E. Colenbrander , Slater Gregory F. , Lindsay Matthew B. J. , Banfield Jillian F. , Warren Lesley A.
Published: February 2022

Here, we examine the geobiological response to a whole-lake alum (aluminum sulfate) treatment (2016) of Base Mine Lake (BML), the first pilot-scale pit lake established in the Alberta oil sands region. The rationale for trialing this management amendment was based on its successful use to reduce internal phosphorus loading to eutrophying lakes. Modest increases in water cap epilimnetic oxygen concentrations, associated with increased Secchi depths and chlorophyll-a concentrations, were co-incident with anoxic waters immediately above the fluid fine tailings (FFT) layer post alum. Decreased water cap nitrate and detectable sulfide concentrations, as well as increased hypolimnetic phospholipid fatty acid abundances, signaled greater anaerobic heterotrophic activity. Shifts in microbial community to groups associated with greater organic carbon degradation (i.e., SAR11-LD12 subclade) and the SRB group Desulfuromonodales emerged post alum and the loss of specialist groups associated with carbon-limited, ammonia-rich restricted niches (i.e., MBAE14) also occurred. Alum treatment resulted in additional oxygen consumption associated with increased autochthonous carbon production, watercap anoxia and sulfide generation, which further exacerbate oxygen consumption associated with on-going FFT mobilized reductants. The results illustrate the importance of understanding the broader biogeochemical implications of adaptive management interventions to avoid unanticipated outcomes that pose greater risks and improve tailings reclamation for oil sands operations and, more broadly, the global mining sector.
Kingella kingae RtxA Cytotoxin in the Context of Other RTX Toxins
Authors: Filipi Katerina , Rahman Waheed Ur , Osickova Adriana , Osicka Radim
Published: February 2022

The Gram-negative bacterium Kingella kingae is part of the commensal oropharyngeal flora of young children. As detection methods have improved, K. kingae has been increasingly recognized as an emerging invasive pathogen that frequently causes skeletal system infections, bacteremia, and severe forms of infective endocarditis. K. kingae secretes an RtxA cytotoxin, which is involved in the development of clinical infection and belongs to an ever-growing family of cytolytic RTX (Repeats in ToXin) toxins secreted by Gram-negative pathogens. All RTX cytolysins share several characteristic structural features: (i) a hydrophobic pore-forming domain in the N-terminal part of the molecule; (ii) an acylated segment where the activation of the inactive protoxin to the toxin occurs by a co-expressed toxin-activating acyltransferase; (iii) a typical calcium-binding RTX domain in the C-terminal portion of the molecule with the characteristic glycine- and aspartate-rich nonapeptide repeats; and (iv) a C-proximal secretion signal recognized by the type I secretion system. RTX toxins, including RtxA from K. kingae, have been shown to act as highly efficient ‘contact weapons’ that penetrate and permeabilize host cell membranes and thus contribute to the pathogenesis of bacterial infections. RtxA was discovered relatively recently and the knowledge of its biological role remains limited. This review describes the structure and function of RtxA in the context of the most studied RTX toxins, the knowledge of which may contribute to a better understanding of the action of RtxA in the pathogenesis of K. kingae infections.
Fraxinol Stimulates Melanogenesis in B16F10 Mouse Melanoma Cells through CREB/MITF Signaling
Authors: Moon Sun Young , Akter Kazi-Marjahan , Ahn Mi-Jeong , Kim Kwang Dong , Yoo Jiyun , Lee Joon-Hee , Lee Jeong-Hyung , Hwangbo Cheol
Published: February 2022

Melanin pigment produced in melanocytes plays a protective role against ultraviolet radiation. Selective destruction of melanocytes causes chronic depigmentation conditions such as vitiligo, for which there are very few specific medical treatments. Here, we found that fraxinol, a natural coumarin from Fraxinus plants, effectively stimulated melanogenesis. Treatment of B16-F10 cells with fraxinol increased the melanin content and tyrosinase activity in a concentration-dependent manner without causing cytotoxicity. Additionally, fraxinol enhanced the mRNA expression of melanogenic enzymes such as tyrosinase, tyrosinase-related protein-1, and tyrosinase-related protein-2. Fraxinol also increased the expression of microphthalmia-associated transcription factor at both mRNA and protein levels. Fraxinol upregulated the phosphorylation of cyclic adenosine monophosphate (cAMP) response element-binding protein (CREB). Furthermore, H89, a cAMP–dependent protein kinase A inhibitor, decreased fraxinol-induced CREB phosphorylation and microphthalmia-associated transcription factor expression and significantly attenuated the fraxinol-induced melanin content and intracellular tyrosinase activity. These results suggest that fraxinol enhances melanogenesis via a protein kinase A-mediated mechanism, which may be useful for developing potent melanogenesis stimulators.
Pharmacological Role of Functionalized Gold Nanoparticles in Disease Applications
Authors: Ko Wen-Chin , Wang Su-Jane , Hsiao Chien-Yu , Hung Chen-Ting , Hsu Yu-Jou , Chang Der-Chen , Hung Chi-Feng
Published: February 2022

Gold has always been regarded as a symbol of nobility, and its shiny golden appearance has always attracted the attention of many people. Gold has good ductility, molecular recognition properties, and good biocompatibility. At present, gold is being used in many fields. When gold particles are as small as several nanometers, their physical and chemical properties vary with their size in nanometers. The surface area of a nano-sized gold surface has a special effect. Therefore, gold nanoparticles can, directly and indirectly, give rise to different biological activities. For example, if the surface of the gold is sulfided. Various substances have a strong chemical reactivity and are easy to combine with sulfhydryl groups; hence, nanogold is often used in biomedical testing, disease diagnosis, and gene detection. Nanogold is easy to bind to proteins, such as antibodies, enzymes, or cytokines. In fact, scientists use nanogold to bind special antibodies, as a tool for targeting cancer cells. Gold nanoparticles are also directly cytotoxic to cancer cells. For diseases caused by inflammation and oxidative damage, gold nanoparticles also have antioxidant and anti-inflammatory effects. Based on these unique properties, gold nanoparticles have become the most widely studied metal nanomaterials. Many recent studies have further demonstrated that gold nanoparticles are beneficial for humans, due to their functional pharmacological properties in a variety of diseases. The content of this review will be the application of gold nanoparticles in treating or diagnosing pressing diseases, such as cancers, retinopathy, neurological diseases, skin disorders, bowel diseases, bone cartilage disorders, cardiovascular diseases, infections, and metabolic syndrome. Gold nanoparticles have shown very obvious therapeutic and application potential.
A Multi-Technique Investigation of the Complex Formation Equilibria between Bis-Deferiprone Derivatives and Oxidovanadium (IV)
Authors: Cappai Rosita , Fantasia Alessandra , Crisponi Guido , Garribba Eugenio , Santos M. Amélia , Nurchi Valeria Marina
Published: February 2022

The increasing biomedical interest in high-stability oxidovanadium(IV) complexes with hydroxypyridinone ligands leads us to investigate the complex formation equilibria of VIVO2+ ion with a tetradentate ligand, named KC21, which contains two 3-hydroxy-1,2-dimethylpyridin-4(1H)-one (deferiprone) moieties, and with the simple bidentate ligand that constitutes the basic unit of KC21, for comparison, named L5. These equilibrium studies were conducted with joined potentiometric–spectrophotometric titrations, and the results were substantiated with EPR measurements at variable pH values. This multi-technique study gave evidence of the formation of an extremely stable 1:1 complex between KC21 and oxidovanadium(IV) at a physiological pH, which could find promising pharmacological applications.
A Facile and Highly Efficient Approach to Obtain a Fluorescent Chromogenic Porous Organic Polymer for Lymphatic Targeting Imaging
Authors: Duan Man , Han Dongmei , Gao Nan , Shen Wenbin , Chang Kun , Wang Xinyu , Du Jianshi
Published: February 2022

Porous organic polymers have an open architecture, excellent stability, and tunable structural components, revealing great application potential in the field of fluorescence imaging, but this part of the research is still in its infancy. In this study, we aimed to tailor the physical and chemical characteristics of indocyanine green using sulfonic acid groups and conjugated fragments, and prepared amino-grafted porous polymers. The resulting material had excellent solvent and thermal stability, and possessed a relatively large pore structure with a size of 3.4 nm. Based on the synergistic effect of electrostatic bonding and π–π interactions, the fluorescent chromogenic agent, indocyanine green, was tightly incorporated into the pore cavity of POP solids through a one-step immersion method. Accordingly, the fluorescent chromogenic POP demonstrated excellent imaging capabilities in biological experiments. This preparation of fluorescent chromogenic porous organic polymer illustrates a promising application of POP-based solids in both fluorescence imaging and biomedicine applications.
Impact of Coffee Bean Roasting on the Content of Pyridines Determined by Analysis of Volatile Organic Compounds
Authors: Gancarz Marek , Dobrzański Bohdan , Malaga-Toboła Urszula , Tabor Sylwester , Combrzyński Maciej , Ćwikła Daniel , Strobel Wacław Roman , Oniszczuk Anna , Karami Hamed , Darvishi Yousef , Żytek Alaksandra , Rusinek Robert
Published: February 2022

The aim of the study was to analyze the process of roasting coffee beans in a convection–conduction roaster (CC) without a heat exchanger and a convection–conduction–radiation roaster (CCR) with a heat exchanger for determination of the aroma profile. The aroma profile was analyzed using the SPME/GC-MS technique, and an Agrinose electronic nose was used to determine the aroma profile intensity. Arabica coffee beans from five regions of the world, namely, Peru, Costa Rica, Ethiopia, Guatemala, and Brazil, were the research material. The chemometric analyses revealed the dominance of azines, alcohols, aldehydes, hydrazides, and acids in the coffee aroma profile. Their share distinguished the aroma profiles depending on the country of origin of the coffee beans. The high content of pyridine from the azine group was characteristic for the coffee roasting process in the convection–conduction roaster without a heat exchanger, which was shown by the PCA analysis. The increased content of pyridine resulted from the appearance of coal tar, especially in the CC roaster. Pyridine has an unpleasant and bitter plant-like odor, and its excess is detrimental to the human organism. The dominant and elevated content of pyridine is a defect of the coffee roasting process in the CC roaster compared to the process carried out in the CCR machine. The results obtained with the Agrinose showed that the CC roasting method had a significant effect on the sensor responses. The effect of coal tar on the coffee beans resulted in an undesirable aroma profile characterized by increased amounts of aromatic volatile compounds and higher responses of Agrinose sensors.
Chemical Derivatization in Flow Analysis
Authors: Rocha Fábio R. P. , Zagatto Elias A. G.
Published: February 2022

Chemical derivatization for improving selectivity and/or sensitivity is a common practice in analytical chemistry. It is particularly attractive in flow analysis in view of its highly reproducible reagent addition(s) and controlled timing. Then, measurements without attaining the steady state, kinetic discrimination, exploitation of unstable reagents and/or products, as well as strategies compliant with Green Analytical Chemistry, have been efficiently exploited. Flow-based chemical derivatization has been accomplished by different approaches, most involving flow and manifold programming. Solid-phase reagents, novel strategies for sample insertion and reagent addition, as well as to increase sample residence time have been also exploited. However, the required alterations in flow rates and/or manifold geometry may lead to spurious signals (e.g., Schlieren effect) resulting in distorted peaks and a noisy/drifty baseline. These anomalies can be circumvented by a proper flow system design. In this review, these aspects are critically discussed mostly in relation to spectrophotometric and luminometric detection.
Widely-Targeted Metabolic Profiling in Lyciumbarbarum Fruits under Salt-Alkaline Stress Uncovers Mechanism of Salinity Tolerance
Authors: Liang Xiaojie , Wang Yajun , Li Yuekun , An Wei , He Xinru , Chen Yanzhen , Shi Zhigang , He Jun , Wan Ru
Published: February 2022

Wolfberry (Lycium barbarum L.) is an important economic crop widely grown in China. The effects of salt-alkaline stress on metabolites accumulation in the salt-tolerant Ningqi1 wolfberry fruits were evaluated across 12 salt-alkaline stress gradients. The soil pH, Na+, K+, Ca2+, Mg2+, and HCO3− contents decreased at a gradient across the salt-alkaline stress gradients. Based on the widely-targeted metabolomics approach, we identified 457 diverse metabolites, 53% of which were affected by salt-alkaline stress. Remarkably, soil salt-alkaline stress enhanced metabolites accumulation in wolfberry fruits. Amino acids, alkaloids, organic acids, and polyphenols contents increased proportionally across the salt-alkaline stress gradients. In contrast, nucleic acids, lipids, hydroxycinnamoyl derivatives, organic acids and derivatives and vitamins were significantly reduced by high salt-alkaline stress. A total of 13 salt-responsive metabolites represent potential biomarkers for salt-alkaline stress tolerance in wolfberry. Specifically, we found that constant reductions of lipids and chlorogenic acids; up-regulation of abscisic acid and accumulation of polyamines are essential mechanisms for salt-alkaline stress tolerance in Ningqi1. Overall, we provide for the first time some extensive metabolic insights into salt-alkaline stress tolerance and key metabolite biomarkers which may be useful for improving wolfberry tolerance to salt-alkaline stress.
Gastroprotective Effect of Microencapsulated Myrtus communis Essential Oil against Ethanol/HCl-Induced Acute Gastric Lesions
Authors: Mansour Rim Ben , Beji Raja Serairi , Wasli Hanen , Zekri Sami , Ksouri Riadh , Megdiche-Ksouri Wided , Cardoso Susana M.
Published: February 2022

Myrtus communis L. essential oil (EO), mainly composed of myrtenyl acetate (30.6%), linalool (14.9%), α-pinene (11.10%) and 1,8-cineole or eucalyptol (9.9%), was microencapsulated with maltodextrin by emulsification and spray-drying, reaching a yield and efficiency of 43.7 and 48.7%, respectively. The microencapsulated myrtle EO (MMEO) was then evaluated regarding its gastroprotective activity in a model of ethanol/HCl-induced acute gastric ulcer in Wistar rats. Pretreatment with MMEO induced a remarkable inhibition of gastric lesions and acidity, correlated to high healing and protection percentages. Moreover, it exerted a potent anti-inflammatory effect on the gastric mucosa, counteracting EtOH-induced gastric lipoperoxidation and preventing the depletion of the antioxidant enzyme activity of superoxide dismutase (SOD), catalase (CAT) and glutathione peroxidase (GPx). Taken together, the gastroprotective action of encapsulated MMEO may be multi-factorial, and ascribable, at least in parts, to its anti-inflammatory and antioxidant properties.
Functionalization of Rhodamine Platforms with 3-Hydroxy-4-pyridinone Chelating Units and Its Fluorescence Behavior towards Fe(III)
Authors: Queirós Carla , Vinhas Sílvia , Oliveira Jéssica , Leite Andreia , Silva Ana M. G. , Rangel Maria
Published: February 2022

Functionalization of xanthene fluorophores with specific receptor units is an important topic of research aiming for the development of new analytical tools for biological sciences, clinical diagnosis, food and environmental monitoring. Herein, we report a new dihydrorosamine containing two active amino groups, which was functionalized with 3-benzyloxy-1-(3′-carboxypropyl)-2-methyl-4-pyridinone through an amide coupling strategy. Benzylated mono- and di-functionalized dihydrorosamine derivatives (H in position 9 of the xanthene) were obtained, but with modest reaction yields, requiring long and laborious purification procedures. Looking for a more efficient approach, rhodamine 110 was selected to react with the carboxypropyl pyridinone, enabling the isolation of the corresponding mono- and di-functionalized derivatives in amounts that depend on the excess of pyridinone added to the reaction. The structure of all compounds was established by 1H and 13C NMR, MS (ESI) and their absorption and emission properties were evaluated in dichloromethane. The fluorescence behavior of the debenzylated mono-rhodamine 110 derivative in the presence of Fe(III) was studied, making it an interesting fluorogenic dye for future optical sensing applications.
The Changes in Bioactive Compounds and Antioxidant Activity of Chia (Salvia hispanica L.) Herb under Storage and Different Drying Conditions: A Comparison with Other Species of Sage
Authors: Dziadek Kinga , Kopeć Aneta , Dziadek Michał , Sadowska Urszula , Cholewa-Kowalska Katarzyna
Published: February 2022

Studies on herb chia (Salvia hispanica L.) are very limited. Therefore, the aim of this study was to assess how different drying methods and periods of storage affect the bioactive properties of the herb Salvia hispanica and to compare it with other species of sage (Salvia officinalis L. and Salvia sclarea L.). In fresh herbs, directly after drying (freeze-drying, natural drying, and drying at 30, 40, and 50 °C), and after storage (3, 6, and 12 months), the following analyses were performed: content of total carotenoids and total polyphenols, polyphenol profile (including 25 compounds), and antioxidant activity. Additionally, the basic chemical compositions of the herbs were analyzed. To the best of our knowledge, the content of total carotenoids and the quantitative polyphenol profile in Salvia hispanica and Salvia sclarea were evaluated for the first time. The obtained results showed that the barely investigated herb Salvia hispanica is rich in polyphenolic compounds and shows high antioxidant activity. In all the tested species, rosmarinic acid was the most abundant polyphenolic compound. The use of different drying methods allowed us to determine that freeze-drying was the most effective for preserving polyphenols and carotenoids. Long-term storage up to 12 months resulted in a gradual reduction in antioxidant activity and in the content of polyphenols and carotenoids.
Optimization of Biocompatibility for a Hydrophilic Biological Molecule Encapsulation System
Authors: Sanders Alyssa B. , Zangaro Jacob T. , Webber Nakoa K. , Calhoun Ryan P. , Richards Elizabeth A. , Ricci Samuel L. , Work Hannah M. , Yang Daniel D. , Casey Kaitlyn R. , Iovine Joseph C. , Baker Gabriela , Douglas Taylor V. , Dutko Sierra B. , Fasano Thomas J. , Lofland Sarah A. , Rajan Ashley A. , Vasile Mihaela A. , Carone Benjamin R. , Nucci Nathaniel V.
Published: February 2022

Despite considerable advances in recent years, challenges in delivery and storage of biological drugs persist and may delay or prohibit their clinical application. Though nanoparticle-based approaches for small molecule drug encapsulation are mature, encapsulation of proteins remains problematic due to destabilization of the protein. Reverse micelles composed of decylmonoacyl glycerol (10MAG) and lauryldimethylamino-N-oxide (LDAO) in low-viscosity alkanes have been shown to preserve the structure and stability of a wide range of biological macromolecules. Here, we present a first step on developing this system as a future platform for storage and delivery of biological drugs by replacing the non-biocompatible alkane solvent with solvents currently used in small molecule delivery systems. Using a novel screening approach, we performed a comprehensive evaluation of the 10MAG/LDAO system using two preparation methods across seven biocompatible solvents with analysis of toxicity and encapsulation efficiency for each solvent. By using an inexpensive hydrophilic small molecule to test a wide range of conditions, we identify optimal solvent properties for further development. We validate the predictions from this screen with preliminary protein encapsulation tests. The insight provided lays the foundation for further development of this system toward long-term room-temperature storage of biologics or toward water-in-oil-in-water biologic delivery systems.
Low-Carbohydrate, High-Protein, and Gluten-Free Bread Supplemented with Poppy Seed Flour: Physicochemical, Sensory, and Spectroscopic Properties
Authors: Wójcik Monika , Różyło Renata , Schönlechner Regine , Matwijczuk Arkadiusz , Dziki Dariusz
Published: February 2022

Background: This study aimed to determine the effect of poppy seed flour (PF) on the physicochemical and spectroscopic properties of low-carbohydrate, high-protein, and gluten-free bread. Methods: The changes at the molecular level were assessed in bread using attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR). Bread prepared with buckwheat, flaxseed, and pea protein was enriched with PF at a concentration of 5–15%. Results: The results showed that the pasting parameters of dough supplemented with PF were significantly decreased compared to the control sample. The obtained bread samples were characterized by good quality and had 14.6% of carbohydrate, 16.3% of protein, 10.2% of fiber, and 4.0% of fat, with a caloric value of 177 kcal/100 g. The addition of PF had little influence on crumb mechanical properties. The ATR-FTIR analyses revealed spectral changes in the region related to protein and carbohydrate structures, as well as changes in band intensity characteristic of α-1,4-glycoside and α-1,6-glycoside bonds. The analyses showed that the main starch skeleton remained clearly visible. Conclusions: PF up to 10% can be potentially applied as a functional ingredient in the production of bread based on buckwheat and linseed flour. Such low-carbohydrate bread can be particularly useful to diabetics.
Antimicrobial Activities of Plant Extracts against Solanum tuberosum L. Phytopathogens
Authors: Steglińska Aleksandra , Bekhter Anastasiia , Wawrzyniak Paweł , Kunicka-Styczyńska Alina , Jastrząbek Konrad , Fidler Michał , Śmigielski Krzysztof , Gutarowska Beata
Published: February 2022

The purpose of the study was to select an environmentally friendly plant biopesticide to protect seed potatoes against phytopathogens. The scope included the evaluation of the antimicrobial activities of 22 plant water extracts, 22 water-glycol extracts, and 3 subcritical carbon dioxide extracts using the agar diffusion method against 10 potato phytopathogens. For the most effective extracts, minimal inhibitory concentration (MIC), chemical composition analysis by gas chromatography–mass spectrometry and in situ assays on seed potatoes were performed. Garlic water extract was finally selected as the most effective in phytopathogen growth inhibition, both in vitro and in situ, with MIC values ranging between 6.3–25 mg/mL. 5-Hydroxymethylfurfural was determined to be the main component of this extract (33.24%). Garlic water extract was proposed as a potential biopesticide against potato phytopathogens.
Faecal Microbiota in Infants and Young Children with Functional Gastrointestinal Disorders: A Systematic Review
Authors: Hofman Denise , Kudla Urszula , Miqdady Mohamad , Nguyen Thi Viet Ha , Morán-Ramos Sofía , Vandenplas Yvan
Published: February 2022

Functional gastrointestinal disorders (FGIDs) refer to gastrointestinal tract issues that lack clear structural or biochemical causes. Their pathophysiology is still unclear, but gut microbiota alterations are thought to play an important role. This systematic review aimed to provide a comprehensive overview of the faecal microbiota of infants and young children with FGIDs compared to healthy controls. A systematic search and screening of the literature resulted in the inclusion of thirteen full texts. Most papers reported on infantile colic, only one studied functional constipation. Despite methodological limitations, data show alterations in microbial diversity, stability, and colonisation patterns in colicky infants compared to healthy controls. Several studies (eight) reported increases in species of (pathogenic) Proteobacteria, and some studies (six) reported a decrease in (beneficial) bacteria such as Lactobacilli and Bifidobacteria. In addition, accumulation of related metabolites, as well as low-grade inflammation, might play a role in the pathophysiology of infantile colic. Infants and toddlers with functional constipation had significantly lower levels of Lactobacilli in their stools compared to controls. Microbial dysbiosis and related changes in metabolites may be inherent to FGIDs. There is a need for more standardised methods within research of faecal microbiota in FGIDs to obtain a more comprehensive picture and understanding of infant and childhood FGIDs.
High Protein Diet Feeding Aggravates Hyperaminoacidemia in Mice Deficient in Proglucagon-Derived Peptides
Authors: Ueno Shinji , Seino Yusuke , Hidaka Shihomi , Maekawa Ryuya , Takano Yuko , Yamamoto Michiyo , Hori Mika , Yokota Kana , Masuda Atsushi , Himeno Tatsuhito , Tsunekawa Shin , Kamiya Hideki , Nakamura Jiro , Kuwata Hitoshi , Fujisawa Haruki , Shibata Megumi , Takayanagi Takeshi , Sugimura Yoshihisa , Yabe Daisuke , Hayashi Yoshitaka , Suzuki Atsushi
Published: February 2022

(1) Background: Protein stimulates the secretion of glucagon (GCG), which can affect glucose metabolism. This study aimed to analyze the metabolic effect of a high-protein diet (HPD) in the presence or absence of proglucagon-derived peptides, including GCG and GLP-1. (2) Methods: The response to HPD feeding for 7 days was analyzed in mice deficient in proglucagon-derived peptides (GCGKO). (3) Results: In both control and GCGKO mice, food intake and body weight decreased with HPD and intestinal expression of Pepck increased. HPD also decreased plasma FGF21 levels, regardless of the presence of proglucagon-derived peptides. In control mice, HPD increased the hepatic expression of enzymes involved in amino acid metabolism without the elevation of plasma amino acid levels, except branched-chain amino acids. On the other hand, HPD-induced changes in the hepatic gene expression were attenuated in GCGKO mice, resulting in marked hyperaminoacidemia with lower blood glucose levels; the plasma concentration of glutamine exceeded that of glucose in HPD-fed GCGKO mice. (4) Conclusions: Increased plasma amino acid levels are a common feature in animal models with blocked GCG activity, and our results underscore that GCG plays essential roles in the homeostasis of amino acid metabolism in response to altered protein intake.