bluuebunny/crossref_metadata_2025 huggingface dataset:
Very Low-Calorie Ketogenic Diet Modulates the Autonomic Nervous System Activity through Salivary Amylase in Obese Population Subjects
Authors: Polito Rita , Valenzano Anna , Scarinci Alessia , Villano Ines , Monda Marcellino , Messina Antonietta , Cibelli Giuseppe , Porro Chiara , La Torre Ester , Pisanelli Daniela , Moscatelli Fiorenzo , Messina Giovanni , Monda Vincenzo
Published: August 2021

In obesity, to reduce visceral adipose tissue (VAT), caloric restriction is a valid strategy. Salivary amylase is an enzyme that cleaves large starch carbohydrates molecules and its production is modulated by the central nervous system. In addition, heart rate variability (HRV) is simply a measure of the variation in time between each heartbeat. This variation is controlled by the autonomic nervous system. In the light of this evidence, the aim of this study is to characterize the effect of a very low-calorie ketogenic diet (VLCKD) on the autonomic nervous system in obese patients. Twenty subjects affected by obesity were recruited before and after 8 weeks of VLCKD intervention to evaluate salivary amylase by the ELISA test and HRV analysis. These parameters significantly increased after dietary treatment, and positively correlate to each other. VLCKD exerts a positive effect on salivary amylase and HRV, ameliorating body composition and biochemical features. In brief, this dietary intervention improves the autonomic nervous system activity. This is the first study about the effects of VLCKD upon the autonomic nervous system, but further studies are needed to elucidate the mechanism undergone VLCKD effects.
Use and Effectiveness of Social-Media-Delivered Weight Loss Interventions among Teenagers and Young Adults: A Systematic Review
Authors: Lozano-Chacon Blanca , Suarez-Lledo Victor , Alvarez-Galvez Javier
Published: August 2021

Obesity is a risk factor that exponentially increases morbidity and mortality in the world. Today, new health strategies are being implemented based on the use of social media but the use and effectiveness for these interventions needs to be assessed. The objective of this systematic review is to assess the impact of social-media-delivered weight loss interventions among teenagers and young adults. We searched PubMed, Scopus, Google Scholar, PsycINFO, and OVID to identify articles that focused on this topic. Fourteen studies were included in the final review. The commitment of the participants was found to be fundamental factor when assessing the impact of social-media-delivered weight loss interventions, but also the social context in which the interventions were carried out. Our study highlights the potential of social media platforms to address weight loss interventions among younger groups. The works evaluated showed the usefulness of social media for the adequate monitoring and control in these groups. Finally, the current variety of study designs in this field highlights the need for greater homogeneity in their methodology and applications, which is a fundamental step before these tools could be considered a suitable tool for overweight management in clinical practice.
Membrane Association Modes of Natural Anticancer Peptides: Mechanistic Details on Helicity, Orientation, and Surface Coverage
Authors: Quemé-Peña Mayra , Juhász Tünde , Kohut Gergely , Ricci Maria , Singh Priyanka , Szigyártó Imola Cs. , Papp Zita I. , Fülöp Lívia , Beke-Somfai Tamás
Published: August 2021

Anticancer peptides (ACPs) could potentially offer many advantages over other cancer therapies. ACPs often target cell membranes, where their surface mechanism is coupled to a conformational change into helical structures. However, details on their binding are still unclear, which would be crucial to reach progress in connecting structural aspects to ACP action and to therapeutic developments. Here we investigated natural helical ACPs, Lasioglossin LL-III, Macropin 1, Temporin-La, FK-16, and LL-37, on model liposomes, and also on extracellular vesicles (EVs), with an outer leaflet composition similar to cancer cells. The combined simulations and experiments identified three distinct binding modes to the membranes. Firstly, a highly helical structure, lying mainly on the membrane surface; secondly, a similar, yet only partially helical structure with disordered regions; and thirdly, a helical monomeric form with a non-inserted perpendicular orientation relative to the membrane surface. The latter allows large swings of the helix while the N-terminal is anchored to the headgroup region. These results indicate that subtle differences in sequence and charge can result in altered binding modes. The first two modes could be part of the well-known carpet model mechanism, whereas the newly identified third mode could be an intermediate state, existing prior to membrane insertion.
Injury-Induced HSP27 Expression in Peripheral Nervous Tissue Is Not Associated with Any Alteration in Axonal Outgrowth after Immediate or Delayed Nerve Repair
Authors: Stenberg Lena , Hazer Rosberg Derya Burcu , Kohyama Sho , Suganuma Seigo , Dahlin Lars B.
Published: August 2021

We investigated injury-induced heat shock protein 27 (HSP27) expression and its association to axonal outgrowth after injury and different nerve repair models in healthy Wistar and diabetic Goto-Kakizaki rats. By immunohistochemistry, expression of HSP27 in sciatic nerves and DRG and axonal outgrowth (neurofilaments) in sciatic nerves were analyzed after no, immediate, and delayed (7-day delay) nerve repairs (7- or 14-day follow-up). An increased HSP27 expression in nerves and in DRG at the uninjured side was associated with diabetes. HSP27 expression in nerves and in DRG increased substantially after the nerve injuries, being higher at the site where axons and Schwann cells interacted. Regression analysis indicated a positive influence of immediate nerve repair compared to an unrepaired injury, but a shortly delayed nerve repair had no impact on axonal outgrowth. Diabetes was associated with a decreased axonal outgrowth. The increased expression of HSP27 in sciatic nerve and DRG did not influence axonal outgrowth. Injured sciatic nerves should appropriately be repaired in healthy and diabetic rats, but a short delay does not influence axonal outgrowth. HSP27 expression in sciatic nerve or DRG, despite an increase after nerve injury with or without a repair, is not associated with any alteration in axonal outgrowth.
Classification of MSH6 Variants of Uncertain Significance Using Functional Assays
Authors: Frederiksen Jane H. , Jensen Sara B. , Tümer Zeynep , Hansen Thomas v. O.
Published: August 2021

Lynch syndrome (LS) is one of the most common hereditary cancer predisposition syndromes worldwide. Individuals with LS have a high risk of developing colorectal or endometrial cancer, as well as several other cancers. LS is caused by autosomal dominant pathogenic variants in one of the DNA mismatch repair (MMR) genes MLH1, MSH2, PMS2 or MSH6, and typically include truncating variants, such as frameshift, nonsense or splicing variants. However, a significant number of missense, intronic, or silent variants, or small in-frame insertions/deletions, are detected during genetic screening of the MMR genes. The clinical effects of these variants are often more difficult to predict, and a large fraction of these variants are classified as variants of uncertain significance (VUS). It is pivotal for the clinical management of LS patients to have a clear genetic diagnosis, since patients benefit widely from screening, preventive and personal therapeutic measures. Moreover, in families where a pathogenic variant is identified, testing can be offered to family members, where non-carriers can be spared frequent surveillance, while carriers can be included in cancer surveillance programs. It is therefore important to reclassify VUSs, and, in this regard, functional assays can provide insight into the effect of a variant on the protein or mRNA level. Here, we briefly describe the disorders that are related to MMR deficiency, as well as the structure and function of MSH6. Moreover, we review the functional assays that are used to examine VUS identified in MSH6 and discuss the results obtained in relation to the ACMG/AMP PS3/BS3 criterion. We also provide a compiled list of the MSH6 variants examined by these assays. Finally, we provide a future perspective on high-throughput functional analyses with specific emphasis on the MMR genes.
MiR-126-3p Is Dynamically Regulated in Endothelial-to-Mesenchymal Transition during Fibrosis
Authors: Jordan Nina P. , Tingle Samuel J. , Shuttleworth Victoria G. , Cooke Katie , Redgrave Rachael E. , Singh Esha , Glover Emily K. , Ahmad Tajuddin Hafiza B. , Kirby John A. , Arthur Helen M. , Ward Chris , Sheerin Neil S. , Ali Simi
Published: August 2021

In fibrotic diseases, myofibroblasts derive from a range of cell types including endothelial-to-mesenchymal transition (EndMT). Increasing evidence suggests that miRNAs are key regulators in biological processes but their profile is relatively understudied in EndMT. In human umbilical vein endothelial cells (HUVEC), EndMT was induced by treatment with TGFβ2 and IL1β. A significant decrease in endothelial markers such as VE-cadherin, CD31 and an increase in mesenchymal markers such as fibronectin were observed. In parallel, miRNA profiling showed that miR-126-3p was down-regulated in HUVECs undergoing EndMT and over-expression of miR-126-3p prevented EndMT, maintaining CD31 and repressing fibronectin expression. EndMT was investigated using lineage tracing with transgenic Cdh5-Cre-ERT2; Rosa26R-stop-YFP mice in two established models of fibrosis: cardiac ischaemic injury and kidney ureteric occlusion. In both cardiac and kidney fibrosis, lineage tracing showed a significant subpopulation of endothelial-derived cells expressed mesenchymal markers, indicating they had undergone EndMT. In addition, miR-126-3p was restricted to endothelial cells and down-regulated in murine fibrotic kidney and heart tissue. These findings were confirmed in patient kidney biopsies. MiR-126-3p expression is restricted to endothelial cells and is down-regulated during EndMT. Over-expression of miR-126-3p reduces EndMT, therefore, it could be considered for miRNA-based therapeutics in fibrotic organs.
Modulating the ERK1/2–MMP1 Axis through Corosolic Acid Inhibits Metastasis of Human Oral Squamous Cell Carcinoma Cells
Authors: Chen Jen-Liang , Lai Chung-Yu , Ying Tsung-Ho , Lin Chiao-Wen , Wang Pei-Han , Yu Fang-Jung , Liu Chung-Jung , Hsieh Yi-Hsien
Published: August 2021

Corosolic acid (CA; 2α-hydroxyursolic acid) is a natural pentacyclic triterpenoid with antioxidant, antitumour and antimetastatic activities against various tumour cells during tumourigenesis. However, CA’s antitumour effect and functional roles on human oral squamous cell carcinoma (OSCC) cells are utterly unknown. In this study, our results demonstrated that CA significantly exerted an inhibitory effect on matrix metalloproteinase (MMP)1 expression, cell migration and invasion without influencing cell growth or the cell cycle of human OSCC cells. The critical role of MMP1 was confirmed using the GEPIA database and showed that patients have a high expression of MMP1 and have a shorter overall survival rate, confirmed on the Kaplan–Meier curve assay. In the synergistic inhibitory analysis, CA and siMMP1 co-treatment showed a synergically inhibitory influence on MMP1 expression and invasion of human OSCC cells. The ERK1/2 pathway plays an essential role in mediating tumour progression. We found that CA significantly inhibits the phosphorylation of ERK1/2 dose-dependently. The ERK1/2 pathway played an essential role in the CA-mediated downregulation of MMP1 expression and in invasive motility in human OSCC cells. These findings first demonstrated the inhibitory effects of CA on OSCC cells’ progression through inhibition of the ERK1/2–MMP1 axis. Therefore, CA might represent a novel strategy for treating OSCC.
Ultrasensitive and Multiplexed Protein Imaging with Cleavable Fluorescent Tyramide and Antibody Stripping
Authors: Pham Thai , Nazaroff Christopher D. , Labaer Joshua , Guo Jia
Published: August 2021

Multiplexed single-cell analysis of proteins in their native cellular contexts holds great promise to reveal the composition, interaction and function of the distinct cell types in complex biological systems. However, the existing multiplexed protein imaging technologies are limited by their detection sensitivity or technical demands. To address these issues, here, we develop an ultrasensitive and multiplexed in situ protein profiling approach by reiterative staining with off-the-shelf antibodies and cleavable fluorescent tyramide (CFT). In each cycle of this approach, the protein targets are recognized by antibodies labeled with horseradish peroxidase, which catalyze the covalent deposition of CFT on or close to the protein targets. After imaging, the fluorophores are chemically cleaved, and the antibodies are stripped. Through continuous cycles of staining, imaging, fluorophore cleavage and antibody stripping, a large number of proteins can be quantified in individual cells in situ. Applying this method, we analyzed 20 different proteins in each of ~67,000 cells in a human formalin-fixed paraffin-embedded (FFPE) tonsil tissue. Based on their unique protein expression profiles and microenvironment, these individual cells are partitioned into different cell clusters. We also explored the cell–cell interactions in the tissue by examining which specific cell clusters are selectively associating or avoiding each other.
Association between Diet Quality and Sarcopenia in Older Adults: Systematic Review of Prospective Cohort Studies
Authors: Jang Eun-Hee , Han Ye-Ji , Jang Seong-Eun , Lee Seungmin
Published: August 2021

(1) Background: Nutrition is a key determinant of sarcopenia in later life. (2) Methods: A systematic review of prospective cohort studies examining association of diet quality with muscle mass (MM), muscle strength (MS) or physical performance (PP) among older adults was conducted. A total of 22,885 results were obtained from a literature search in MEDLINE via PubMed and EMBASE up to November 2020. Inclusion criteria included diet quality assessment via dietary indices or statistical approaches, a sample of adults aged 45 years and over at baseline in a longitudinal study design. (3) Results: Of the 22,885 cohort studies, 14 studies were eligible. Meaningful results were obtained for the Mediterranean diet and Nordic diet regarding the decrease of sarcopenia risk, however results from non-European countries were inconsistent. In addition, due to the insufficient number of studies on Japanese Food Guide Spinning Top (JFG-ST), dietary variety score (DVS), and dietary quality index-international (DQI-I), effectiveness was difficult to prove. Studies using factor analysis to examine dietary patterns suggested that the risk of sarcopenia is increased with a high in saturated fat diet such as westernized pattern etc. (4) Conclusion: In this systematic review it was found that various diet qualities are meaningful to a decreased risk of sarcopenia.
Study on the Frost Resistance of Concrete Modified with Steel Balls Containing Phase Change Material (PCM)
Authors: Yuan Xiaosa , Wang Baomin , Chen Peng , Luo Tao
Published: August 2021

In order to investigate the effect of phase change materials on the frost resistance of concrete in cold regions, hollow steel balls were used in this paper for the macroscopic encapsulation of the phase change material to replace some of the coarse aggregates in the preparation of phase change concrete. On the premise of ensuring reasonable mechanical properties, concrete mixed with different contents and different surface treatments of grouting steel balls were tested for the compressive strength and splitting tensile strength to determine the optimum content of phase change steel balls and investigate the frost resistance of phase change concrete. At the same time, industrial CT was used to explore the internal pore evolution pattern of concrete during the freeze–thaw period. The test results show that the optimum content of steel balls is 75%; during the freeze–thaw process, the mass loss, relative dynamic elastic modulus loss, and strength loss of phase change concrete are all lower than those of ordinary concrete, and the increase in porosity of phase change concrete is also significantly lower than that of ordinary concrete; the addition of phase change materials can optimise the distribution of the internal pore in concrete, improve its internal pore structure, and enhance its frost resistance.
Effect of Direct Powder Forging Process on the Mechanical Properties and Microstructural of Ti-6Al-4V ELI
Authors: Germain Careau Sébastien , Tougas Bernard , Ulate-Kolitsky Elena
Published: August 2021

The study of powder metallurgy processing methods for titanium represents a promising avenue that can respond to a growing demand. This work reports the feasibility of direct powder forging (DPF) as a method to process large spherical Ti-6Al-4V powder into wrought products with noteworthy properties and physical characteristics. Direct powder forging is a thermomechanical process that imparts uniaxial loading to an enclosed and uncompacted powder to produce parts of various sizes and shapes. Stainless steel canisters were filled with prealloyed Ti-6Al-4V powder and consolidated through a multi-step open-die forging and rolling process into wrought DPF bars. After DPF, annealing was performed in the upper α+β phase. The results show that full consolidation was achieved and higher mechanical properties than the Ti-6Al-4V grade F-23 requirements in annealed conditions were obtained. The results also show that direct powder forging of spherical titanium powder could produce wrought mill products and exhibit some potential for further investigation for industrial applications.
Effect of Fiber Blending Ratio on the Tensile Properties of Steel Fiber Hybrid Reinforced Cementitious Composites under Different Strain Rates
Authors: Son Minjae , Kim Gyuyong , Kim Hongseop , Lee Sangkyu , Lee Yaechan , Nam Jeongsoo , Kobayashi Koichi
Published: August 2021

In this study, a high-performance hybrid fiber-reinforced cementitious composite (HP-HFRCC) was prepared, by mixing hooked steel fiber (HSF) and smooth steel fiber (SSF) at different blending ratios, to evaluate the synergistic effect of the blending ratio between HSF and SSF and the strain rate on the tensile properties of HP-HFRCC. The experimental results showed that the micro- and macrocrack control capacities of HP-HFRCC varied depending on the blending ratio and strain rate, and the requirement for deriving the appropriate blending ratio was confirmed. Among the HP-HFRCC specimens, the specimen mixed with HSF 1.0 vol.% and SSF 1.0 vol.% (H1.0S1.0) exhibited a significant increase in the synergistic effect on the tensile properties at the high strain rate, as SSF controlled the microcracks and HSF controlled the macrocracks. Consequently, it exhibited the highest strain rate sensitivities of tensile strength, strain capacity, and peak toughness among the specimens evaluated in this study.
Design and Durability Assessment of Restoring Mortar for Concrete Heritage
Authors: Miranda Judite , Costa Hugo , Valença Jónatas , Carmo Ricardo do , Júlio Eduardo
Published: August 2021

Interventions in concrete heritage deal with challenges related to conservation, and must be performed from an integrated restoration perspective. In addition to the material technical performance, the aesthetic compatibility between the repair and the structure, in terms of colour and texture, needs to be ensured. Therefore, the characterisation of the restoration mortar concerning colour match and aging, and the mechanical and durability performances, is essential. In this article, the long-term behaviour of restoration mortar, previously designed and produced by the addition of pigments to white and grey cement-based reference mortar, is evaluated. The durability properties, colour change due to aging, and service life are estimated and analysed. An experimental program is performed to characterise the following properties: (i) water capillary absorption; (ii) accelerated carbonation; (iii) migration of chloride ions; (iv) electrical resistivity; and (v) shrinkage. The colour evolution, when exposed to carbonation, is measured through image processing. The obtained results allow the establishment of a correlation between durability and design parameters. Finally, service life considering deterioration due to steel corrosion is estimated, considering the carbonation resistance and the chloride diffusion values. It is concluded that the W/C ratio influences not only most of the characterised parameters, but also the type and content of the pigment. Furthermore, no colour variation due to carbonation is detected.
Corrosion Resistance Measurement of 316L Stainless Steel Manufactured by Selective Laser Melting
Authors: Guzmán-Nogales Rigoberto , Estupiñán-López Francisco , Gaona-Tiburcio Citlalli , Lopez-Botello Omar E. , Ramírez-Rodríguez Juan G. , Zambrano-Robledo Patricia C.
Published: August 2021

Selective laser melting (SLM) technology is ushering in a new era of advanced industrial production of metal components. It is of great importance to understand the relationship between the surface features and electrochemical properties of manufactured parts. This work studied the influence of surface orientation on the corrosion resistance of 316L stainless-steel (SS) components manufactured with SLM. The corrosion resistance of the samples was measured using linear polarization resistance (LPR) and electromechanical noise (EN) techniques under three different environments, H2O, 3.5 wt.% NaCl, and 20% H2SO4, analyzing the horizontal (XY) and vertical (XZ) planes. The microstructure and morphology of the samples were obtained by optical (OM) and scanning electron microscopy (SEM). The obtained microstructure showed the grains growing up from the fusion line to the melt pool center and, via SEM-EDS, the presence of irregular and spherical pores was observed. The highest corrosion rate was identified in the H2SO4 solution in the XZ plane with 2.4 × 10−2 mm/year and the XY plane with 1.31 × 10−3 mm/year. The EN technique along with the skewness factor were used to determine the type of corrosion that the material developed. Localized corrosion was observed in the NaCl electrolyte, for the XY and XZ planes (−1.65 and −0.012 skewness factors, respectively), attacking mainly the subgrains of the microstructure and, in some cases, the pores, caused by Cl ions. H2O and H2SO4 solutions presented a uniform corrosion mechanism for the two observed orientations. The morphology identified by SEM was correlated with the results obtained from the electrochemical techniques.
Residual Properties in Damaged Laminated Composites through Nondestructive Testing: A Review
Authors: Boursier Niutta Carlo , Tridello Andrea , Paolino Davide S. , Belingardi Giovanni
Published: August 2021

The development of damage tolerance strategies in the design of composite structures constitutes a major challenge for the widespread application of composite materials. Damage tolerance approaches require a proper combination of material behavior description and nondestructive techniques. In contrast to metals, strength degradation approaches, i.e., the residual strength in presence of cracks, are not straightforwardly enforceable in composites. The nonhomogeneous nature of such materials gives rise to several failure mechanisms and, therefore, the definition of an ultimate load carrying capacity is ambiguous. Nondestructive techniques are thus increasingly required, where the damage severity is quantified not only in terms of damage extension, but also in terms of material response of the damaged region. Based on different approaches, many nondestructive techniques have been proposed in the literature, which are able to provide a quantitative description of the material state. In the present paper, a review of such nondestructive techniques for laminated composites is presented. The main objective is to analyze the damage indexes related to each method and to point out their significance with respect to the residual mechanical performances, as a result of the working principle of each retained technique. A possible guide for future research on this subject is thus outlined.
Ameliorative Effects of Peptides Derived from Oyster (Crassostrea gigas) on Immunomodulatory Function and Gut Microbiota Structure in Cyclophosphamide-Treated Mice
Authors: Xiang Xing-Wei , Zheng Hui-Zhen , Wang Rui , Chen Hui , Xiao Jin-Xing , Zheng Bin , Liu Shu-Lai , Ding Yu-Ting
Published: August 2021

The intestinal flora is recognized as a significant contributor to the immune system. In this research, the protective effects of oyster peptides on immune regulation and intestinal microbiota were investigated in mice treated with cyclophosphamide. The results showed that oyster peptides restored the indexes of thymus, spleen and liver, stimulated cytokines secretion and promoted the relative mRNA levels of Th1/Th2 cytokines (IL-2, IFN-γ, IL-4 and IL-10). The mRNA levels of Occludin, Claudin-1, ZO-1, and Mucin-2 were up-regulated, and the NF-κB signaling pathway was also activated after oyster peptides administration. Furthermore, oyster peptides treatment reduced the proportion of Firmicutes/Bacteroidetes, increased the relative abundance of Alistipes, Lactobacillus, Rikenell and the content of short-chain fatty acids, and reversed the composition of intestinal microflora similar to that of normal mice. In conclusion, oyster peptides effectively ameliorated cyclophosphamide-induced intestinal damage and modified gut microbiota structure in mice, and might be utilized as a beneficial ingredient in functional foods for immune regulation.
Anthraquinones, Diphenyl Ethers, and Their Derivatives from the Culture of the Marine Sponge-Associated Fungus Neosartorya spinosa KUFA 1047
Authors: de Sá Joana D. M. , Pereira José A. , Dethoup Tida , Cidade Honorina , Sousa Maria Emília , Rodrigues Inês C. , Costa Paulo M. , Mistry Sharad , Silva Artur M. S. , Kijjoa Anake
Published: August 2021

Previously unreported anthraquinone, acetylpenipurdin A (4), biphenyl ether, neospinosic acid (6), dibenzodioxepinone, and spinolactone (7) were isolated, together with (R)-6-hydroxymellein (1), penipurdin A (2), acetylquestinol (3), tenellic acid C (5), and vermixocin A (8) from the culture of a marine sponge-associated fungus Neosartorya spinosa KUFA1047. The structures of the previously unreported compounds were established based on an extensive analysis of 1D and 2D NMR spectra as well as HRMS data. The absolute configurations of the stereogenic centers of 5 and 7 were established unambiguously by comparing their calculated and experimental electronic circular dichroism (ECD) spectra. Compounds 2 and 5–8 were tested for their in vitro acetylcholinesterase and tyrosinase inhibitory activities as well as their antibacterial activity against Gram-positive and Gram-negative reference, and multidrug-resistant strains isolated from the environment. The tested compounds were also evaluated for their capacity to inhibit biofilm formation in the reference strains.
The Effect of Solidification Rate on the Microstructure and Mechanical Properties of Pure Magnesium
Authors: Jamel Murtatha M. , Lopez Hugo , Schultz Benjamin , Otieno Wilkistar
Published: August 2021

Magnesium, Mg, has been widely investigated due to its promising potential as magnesium alloys for various applications, particularly as biomedical implantation devices among other medical applications. This work investigates the influence of different cooling rates on the strength of pure Mg. The cooling rates were set to cover a low cooling rate LCR (0.035 °C/s) in an insulated furnace, a moderate cooling rate MCR (0.074 °C/s) in uninsulated-ends furnace, and a high cooling rate HCR (13.5 °C/s) in liquid CO2. The casting process was accomplished using a closed system of melting and cooling due to the reactivity-flammability of magnesium in order to minimize processing defects and increase the safety factor. The as-cast samples were metallographically examined for their microstructure, and properties such as impact strength, hardness, and tension were determined. Increasing the solidification rate from 0.035 °C/s to 0.074 °C/s increased the hardness from 30 to 34 Rockwell Hardness and the UTS from 48 to 67 MPa. A higher solidification rate of 13.5 °C/s further enhanced the hardness to 48 Rockwell Hardness and the UTS to 87 MPa in comparison to the 0.074 °C/s cooling rate. Additionally, the fracture behavior and morphology were investigated. It was found that in general, the mechanical properties tended to improve by refining the grain structure.
ATR-FTIR-MIR Spectrometry and Pattern Recognition of Bioactive Volatiles in Oily versus Microencapsulated Food Supplements: Authenticity, Quality, and Stability
Authors: Popa Ramona Maria , Fetea Florinela , Socaciu Carmen
Published: August 2021

Fourier transform infrared spectroscopy on the middle infrared region (ATR-FTIR-MIR) proved to be a convenient and reliable technique to evaluate foods’ quality and authenticity. Plants’ essential oils are bioactive mixtures used as such or in different oily or microencapsulated formulations, beneficial to human health. Six essential oils (thyme, oregano, juniperus, tea tree, clove, and cinnamon) were introduced in three oily formulations (Biomicin, Biomicin Forte, and Biomicin urinary) and these formulations were microencapsulated on fructose and maltodextrin matrices. To study their stability, the microencapsulated powders were kept under light irradiation for 14 days at 25 °C or introduced in biopolymer capsules. All variants were analysed by ATR-FTIR-MIR, recording wavenumbers and peak intensities (3600–650 cm−1). The data were processed by Unscrambler and Metaboanalyst software, with specific algorithms (PCA, PLSDA, heatmaps, and random forest analysis). The results demonstrated that ATR-FTIR-MIR can be successfully applied for fingerprinting and finding essential oil biomarkers as well as to recognize this pattern in final microencapsulated food supplements. This study offers an improved ATR-FTIR-MIR procedure coupled with an adequate chemometric analysis and accurate data interpretation, to be applied for the evaluation of authenticity, quality, traceability, and stability during storage of essential oils incorporated in different matrices.
Efficient Regioselective Synthesis of Novel Condensed Sulfur–Nitrogen Heterocyclic Compounds Based on Annulation Reactions of 2-Quinolinesulfenyl Halides with Alkenes and Cycloalkenes
Authors: Potapov Vladimir A. , Ishigeev Roman S. , Amosova Svetlana V.
Published: August 2021

The preparation of novel reagents 2-quinolinesulfenyl chloride and bromide based on available 2-mercaptoquinoline has been described. This approach opens up opportunities for the introduction of 2-quinolinesulfenyl chloride and bromide into organic synthesis. Regioselective synthesis of novel 1,2-dihydro[1,3]thiazolo[3,2-a]quinolin-10-ium derivatives in high yields has been developed by annulation reactions of 2-quinolinesulfenyl chloride and bromide with alkenes. Condensed tetracyclic products have been obtained by the reactions of 2-quinolinesulfenyl chloride and bromide with cycloalkenes. The opposite regiochemistry in the reactions with styrene, isoeugenol and 1-alkenes was discussed.
Unusual Lower Critical Solution Temperature Phase Behavior of Poly(benzyl methacrylate) in a Pyrrolidinium-Based Ionic Liquid
Authors: Carrick Brian R. , Seitzinger Claire L. , Lodge Timothy P.
Published: August 2021

Polymer/ionic liquid systems are being increasingly explored, yet those exhibiting lower critical solution temperature (LCST) phase behavior remain poorly understood. Poly(benzyl methacrylate) in certain ionic liquids constitute unusual LCST systems, in that the second virial coefficient (A2) in dilute solutions has recently been shown to be positive, indicative of good solvent behavior, even above phase separation temperatures, where A2 < 0 is expected. In this work, we describe the LCST phase behavior of poly(benzyl methacrylate) in 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide for three different molecular weights (32, 63, and 76 kg/mol) in concentrated solutions (5–40% by weight). Turbidimetry measurements reveal a strong concentration dependence to the phase boundaries, yet the molecular weight is shown to have no influence. The critical compositions of these systems are not accessed, and must therefore lie above 40 wt% polymer, far from the values (ca. 10%) anticipated by Flory-Huggins theory. The proximity of the experimental cloud point to the coexistence curve (binodal) and the thermo-reversibility of the phase transitions, are also confirmed at various heating and cooling rates.
Immunopharmacological Properties of Methacrylic Acid Polymers as Potential Polymeric Carrier Constituents of Anticancer Drugs
Authors: Zhukova Olga V. , Arkhipova Evgenia V. , Kovaleva Tatyana F. , Ryabov Sergey A. , Ivanova Irina. P. , Golovacheva Anna A. , Zykova Daria A. , Zaitsev Sergey D.
Published: August 2021

Cytostatic chemotherapeutics provide a classical means to treat cancer, but conventional treatments have not increased in efficacy in the past years, warranting a search for new approaches to therapy. The aim of the study was, therefore, to obtain methacrylic acid (MAA) (co)polymers and to study their immunopharmacological properties. 4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl] pentanoic acid (CDSPA) and 2-cyano-2-propyl dodecyl trithiocarbonate (CPDT) were used as reversible chain transfer agents. Experiments were carried out in Wistar rats. The MTT assay was used to evaluate the cytotoxic effect of the polymeric systems on peritoneal macrophages. An experimental tumor model was obtained by grafting RMK-1 breast cancer cells. Serum cytokine levels of tumor-bearing rats were analyzed. The chain transfer agents employed in classical radical polymerization substantially reduced the molecular weight of the resulting polymers, but a narrow molecular weight distribution was achieved only with CDSPA and high CPDT concentrations. Toxicity was not observed when incubating peritoneal macrophages with polymeric systems. In tumor-bearing rats, the IL-10 concentration was 1.7 times higher and the IL-17 concentration was less than half that of intact rats. Polymeric systems decreased the IL-10 concentration and normalized the IL-17 concentration in tumor-bearing rats. The maximum effect was observed for a MAA homopolymer with a high molecular weight. The anion-active polymers proposed as carrier constituents are promising for further studies and designs of carrier constituents of drug derivatives.
Saponin Stabilization via Progressive Freeze Concentration and Sterilization Treatment
Authors: Osman Wan Nur Aisyah Wan , Selvarajah Dineshraj , Samsuri Shafirah
Published: August 2021

Saponin is a biopesticide used to suppress the growth of the golden apple snail population. This study aims to determine the stabilized conditions for saponin storage. The maceration process was used for saponin extraction, and for saponin concentration, progressive freeze concentration (PFC) was used. Afterwards, stability analysis was performed by storing the sample for 21 days in two conditions: Room temperature (26 °C) and cold room (10 °C). The samples kept in a cold room were sterilized samples that undergo thermal treatment by placing the sample in the water bath. The non-sterilized samples were kept in room temperature condition for 21 days. The results showed that saponin stored in the cold room (sterilized sample) has low degradation with higher concentration than those stored at room temperature in stability analysis with the highest saponin concentration (0.730 mg/mL) at a concentration temperature of −6 °C and concentration time of 15 min. The lowest saponin concentration obtained by saponin stored at room temperature (non-sterilized sample) is 0.025 mg/mL at a concentration temperature of −6 °C and concentration time of 10 min. Thus, the finding concluded that saponin is sensitive to temperature. Hence, the best storage condition to store saponin after thermal treatment is to keep it in a cold room at 10 °C.
Valorization of Okara by Enzymatic Production of Anti-Fungal Compounds for Plant Protection
Authors: De Benedetti Stefano , Girlando Valeria , Pasquali Matias , Scarafoni Alessio
Published: August 2021

Okara is a soybean transformation agri-food by-product, the massive production of which currently poses severe disposal issues. However, its composition is rich in seed storage proteins, which, once extracted, can represent an interesting source of bioactive peptides. Antimicrobial and antifungal proteins and peptides have been described in plant seeds; thus, okara is a valuable source of compounds, exploitable for integrated pest management. The aim of this work is to describe a rapid and economic procedure to isolate proteins from okara, and to produce an enzymatic proteolyzed product, active against fungal plant pathogens. The procedure allowed the isolation and recovery of about 30% of okara total proteins. Several proteolytic enzymes were screened to identify the proper procedure to produce antifungal compounds. Antifungal activity of the protein digested for 24 h with pancreatin against Fusarium and R. solani mycelial growth and Pseudomonas spp was assessed. A dose-response inhibitory activity was established against fungi belonging to the Fusarium genus. The exploitation of okara to produce antifungal bioactive peptides has the potential to turn this by-product into a paradigmatic example of circular economy, since a field-derived food waste is transformed into a source of valuable compounds to be used in field crops protection.
Towards Advances in Molecular Understanding of Boric Acid Biocatalyzed Ring-Opening (Co)Polymerization of δ-Valerolactone in the Presence of Ethylene Glycol as an Initiator
Authors: Duale Khadar , Latos Piotr , Chrobok Anna , Domiński Adrian , Maksymiak Magdalena Martinka , Adamus Grażyna , Kowalczuk Marek
Published: August 2021

Following our previous studies on the molecular level structure of (co)oligoesters obtained via anionic homo- and co-polymerization of novel β-substituted β-lactones, prepared by the atmospheric pressure carbonylation reaction of respective epoxides, the boric acid biocatalyzed ring-opening (co)polymerization of δ-valerolactone has been studied. As a co-monomer the 6-methy-ε-caprolactone, prepared by the one-pot oxidation of respective alcohol, and ethylene glycol as polymerization initiator were used. The obtained copolymers were characterized by 1H-NMR, GPC and ESI-MS, respectively in order to confirm their chemical structures and identity. Subsequently, tandem mass spectrometry (MS-MS studies) via collision-induced dissociation were utilized to characterize the fragmentation pattern. ESI-MS and NMR analyses confirmed the formation of random linear copolymer chains composed of different polyester repeat units. MS-MS experiments showed that fragmentation proceeds via ester bound cleavage along the (co)polyester chains. The innovative aspect of this contribution is related to the elaboration of the telechelic (co)polymers end-capped with hydroxyl end groups and well-defined molecular architectures, which could facilitate the development of new flexible macromolecular systems for potential biomedical applications.
Adsorbing Volatile Organic Chemicals by Soluble Triazine-Based Dendrimers under Ambient Conditions with the Adsorption Capacity of Pyridine up to 946.2 mg/g
Authors: Lu Yao-Chih , Chien Chia-Yun , Hsu Hsiu-Fu , Lai Long-Li
Published: August 2021

Two triazine-based dendrimers with peripheral 1,3,5-triamidobenzene (1-3-5-TAB) functionality were prepared, and their void spaces in the bulk solid were investigated. We examined dendrimers of three core lengths and determined the one with the longest core exhibits the largest void space because the peripheral amides were not imbedded in the internal space of each dendritic molecule. The new dendrimers as solids were observed to adsorb volatile organic chemicals efficiently. Importantly, because the dendrimers are soluble in organic solvents, the adsorbed VOCs can be quantified by 1H-NMR spectroscopy by choosing a chemical shift (δ) of dendrimers as the internal standard to exclude interfering impurity signals, a much simpler and more efficient protocol than the traditional GC technique for the VOC quantification. One dendrimer was found to adsorb 24 equivalents of pyridine, so its adsorption capacity is equivalent to 946.2 mg/g. This is a more than 2-fold increase than the reported values by other porous materials.
Urinary Potassium and Kidney Function Decline in the Population—Observational Study
Authors: Cirillo Massimo , Bilancio Giancarlo , Cavallo Pierpaolo , Palladino Raffaele , Zulli Enrico , Villa Rachele , Veneziano Rosangela , Laurenzi Martino
Published: August 2021

Background—Some data suggest favorable effects of a high potassium intake on kidney function. The present population-based study investigated cross-sectional and longitudinal relations of urinary potassium with kidney function. Methods—Study cohort included 2027 Gubbio Study examinees (56.9% women) with age ≥ 18 years at exam-1 and with complete data on selected variables at exam-1 (1983–1985), exam-2 (1989–1992), and exam-3 (2001–2007). Urinary potassium as urinary potassium/creatinine ratio was measured in daytime spot samples at exam-1 and in overnight timed collections at exam-2. Estimated glomerular filtration rate (eGFR) was measured at all exams. Covariates in analyses included demographics, anthropometry, blood pressure, drug treatments, diabetes, smoking, alcohol intake, and urinary markers of dietary sodium and protein. Results—In multivariable regression, urinary potassium/creatinine ratio cross-sectionally related to eGFR neither at exam-1 (standardized coefficient and 95%CI = 0.020 and −0.059/0.019) nor at exam-2 (0.024 and −0.013/0.056). Exam-1 urinary potassium/creatinine ratio related to eGFR change from exam-1 to exam-2 (0.051 and 0.018/0.084). Exam-2 urinary potassium/creatinine ratio related to eGFR change from exam-2 to exam-3 (0.048 and 0.005/0.091). Mean of urinary potassium/creatinine ratio at exam-1 and exam-2 related to eGFR change from exam-1 to exam-3 (0.056 and 0.027/0.087) and to incidence of eGFR < 60 mL/min per 1.73 m2 from exam-1 to exam-3 (odds ratio and 95%CI = 0.78 and 0.61/0.98). Conclusion—In the population, urinary potassium did not relate cross-sectionally to eGFR but related to eGFR decline over time. Data support the existence of favorable effects of potassium intake on ageing-associated decline in kidney function.
B3Pred: A Random-Forest-Based Method for Predicting and Designing Blood–Brain Barrier Penetrating Peptides
Authors: Kumar Vinod , Patiyal Sumeet , Dhall Anjali , Sharma Neelam , Raghava Gajendra Pal Singh
Published: August 2021

The blood–brain barrier is a major obstacle in treating brain-related disorders, as it does not allow the delivery of drugs into the brain. We developed a method for predicting blood–brain barrier penetrating peptides to facilitate drug delivery into the brain. These blood–brain barrier penetrating peptides (B3PPs) can act as therapeutics, as well as drug delivery agents. We trained, tested, and evaluated our models on blood–brain barrier peptides obtained from the B3Pdb database. First, we computed a wide range of peptide features. Then, we selected relevant peptide features. Finally, we developed numerous machine-learning-based models for predicting blood–brain barrier peptides using the selected features. The random-forest-based model performed the best with respect to the top 80 selected features and achieved a maximal 85.08% accuracy with an AUROC of 0.93. We also developed a webserver, B3pred, that implements our best models. It has three major modules that allow users to predict/design B3PPs and scan B3PPs in a protein sequence.
The Extent of Interlayer Bond Strength during Fused Filament Fabrication of Nylon Copolymers: An Interplay between Thermal History and Crystalline Morphology
Authors: Vaes Dries , Coppens Margot , Goderis Bart , Zoetelief Wim , Van Puyvelde Peter
Published: August 2021

One of the main drawbacks of Fused Filament Fabrication is the often-inadequate mechanical performance of printed parts due to a lack of sufficient interlayer bonding between successively deposited layers. The phenomenon of interlayer bonding becomes especially complex for semi-crystalline polymers, as, besides the extremely non-isothermal temperature history experienced by the extruded layers, the ongoing crystallization process will greatly complicate its analysis. This work attempts to elucidate a possible relation between the degree of crystallinity attained during printing by mimicking the experienced thermal history with Fast Scanning Chip Calorimetry, the extent of interlayer bonding by performing trouser tear fracture tests on printed specimens, and the resulting crystalline morphology at the weld interface through visualization with polarized light microscopy. Different printing conditions are defined, which all vary in terms of processing parameters or feedstock molecular weight. The concept of an equivalent isothermal weld time is utilized to validate whether an amorphous healing theory is capable of explaining the observed trends in weld strength. Interlayer bond strength was found to be positively impacted by an increased liquefier temperature and reduced feedstock molecular weight as predicted by the weld time. An increase in liquefier temperature of 40 °C brings about a tear energy value that is three to four times higher. The print speed was found to have a negligible effect. An elevated build plate temperature will lead to an increased degree of crystallinity, generally resulting in about a 1.5 times larger crystalline fraction compared to when printing occurs at a lower build plate temperature, as well as larger spherulites attained during printing, as it allows crystallization to occur at higher temperatures. Due to slower crystal growth, a lower tie chain density in the amorphous interlamellar regions is believed to be created, which will negatively impact interlayer bond strength.
Surface Analyses of PVDF/NMP/[EMIM][TFSI] Solid Polymer Electrolyte
Authors: Sedlak Petr , Sobola Dinara , Gajdos Adam , Dallaev Rashid , Nebojsa Alois , Kubersky Petr
Published: August 2021

Thermal treatment conditions of solid polymer polymer electrolyte (SPE) were studied with respect to their impact on the surface morphology, phase composition and chemical composition of an imidazolium ionic-liquid-based SPE, namely PVDF/NMP/[EMIM][TFSI] electrolyte. These investigations were done using scanning electron microscopy, Raman spectroscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry as well as X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectroscopy. A thoroughly mixed blend of polymer matrix, ionic liquid and solvent was deposited on a ceramic substrate and was kept at a certain temperature for a specific time in order to achieve varying crystallinity. The morphology of all the electrolytes consists of spherulites whose average diameter increases with solvent evaporation rate. Raman mapping shows that these spherulites have a semicrystalline structure and the area between them is an amorphous region. Analysis of FTIR spectra as well as Raman spectroscopy showed that the β-phase becomes dominant over other phases, while DSC technique indicated decrease of crystallinity as the solvent evaporation rate increases. XPS and ToF-SIMS indicated that the chemical composition of the surface of the SPE samples with the highest solvent evaporation rate approaches the composition of the ionic liquid.