bluuebunny/crossref_metadata_2025 huggingface dataset:
Strengthening Anti-Glioblastoma Effect by Multi-Branched Dendrimers Design of a Scorpion Venom Tetrapeptide
Authors: Moslah Wassim , Aissaoui-Zid Dorra , Aboudou Soioulata , Abdelkafi-Koubaa Zaineb , Potier-Cartereau Marie , Lemettre Aude , ELBini-Dhouib Ines , Marrakchi Naziha , Gigmes Didier , Vandier Christophe , Luis José , Mabrouk Kamel , Srairi-Abid Najet
Published: January 2022

Glioblastoma is the most aggressive and invasive form of central nervous system tumors due to the complexity of the intracellular mechanisms and molecular alterations involved in its progression. Unfortunately, current therapies are unable to stop its neoplastic development. In this context, we previously identified and characterized AaTs-1, a tetrapeptide (IWKS) from Androctonus autralis scorpion venom, which displayed an anti-proliferative effect against U87 cells with an IC50 value of 0.57 mM. This peptide affects the MAPK pathway, enhancing the expression of p53 and altering the cytosolic calcium concentration balance, likely via FPRL-1 receptor modulation. In this work, we designed and synthesized new dendrimers multi-branched molecules based on the sequence of AaTs-1 and showed that the di-branched (AaTs-1-2B), tetra-branched (AaTs-1-4B) and octo-branched (AaTs-1-8B) dendrimers displayed 10- to 25-fold higher effects on the proliferation of U87 cells than AaTs-1. We also found that the effects of the newly designed molecules are mediated by the enhancement of the ERK1/2 and AKT phosphorylated forms and by the increase in p53 expression. Unlike AaTs-1, AaTs-1-8B and especially AaTs-1-4B affected the migration of the U87 cells. Thus, the multi-branched peptide synthesis strategy allowed us to make molecules more active than the linear peptide against the proliferation of U87 glioblastoma cells.
Transition-Metal-Free Synthesis of Unsymmetrical Diaryl Tellurides via SH2 Reaction of Aryl Radicals on Tellurium
Authors: Yamamoto Yuki , Sato Fumiya , Chen Qiqi , Kodama Shintaro , Nomoto Akihiro , Ogawa Akiya
Published: January 2022

Although diaryl tellurides are parent organotellurium compounds, their synthesis methods, especially for unsymmetrical ones, are limited. This may be due to the instability of diaryl tellurides and their synthesis intermediates under reaction conditions. Radical reactions are known to exhibit excellent functional group selectivity; therefore, we focused on a bimolecular homolytic substitution (SH2) reaction between the aryl radical and diaryl ditelluride. Aryl radicals are generated from arylhydrazines in air and captured by diaryl ditellurides, resulting in a selective formation of unsymmetrical diaryl tellurides with high yields. The electronic effects of the substituents on both arylhydrazines and diaryl ditellurides on the SH2 reaction of tellurium are also discussed in detail.
Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70
Authors: O’Connor Suzanne , Le Bihan Yann-Vaï , Westwood Isaac M. , Liu Manjuan , Mak Oi Wei , Zazeri Gabriel , Povinelli Ana P. R. , Jones Alan M. , van Montfort Rob , Reynisson Jóhannes , Collins Ian
Published: January 2022

Heat Shock Protein 70s (HSP70s) are key molecular chaperones that are overexpressed in many cancers and often associated with metastasis and poor prognosis. It has proven difficult to develop ATP-competitive, drug-like small molecule inhibitors of HSP70s due to the flexible and hydrophilic nature of the HSP70 ATP-binding site and its high affinity for endogenous nucleotides. The aim of this study was to explore the potential for the inhibition of HSP70 through alternative binding sites using fragment-based approaches. A surface plasmon resonance (SPR) fragment screen designed to detect secondary binding sites in HSP70 led to the identification by X-ray crystallography of a cryptic binding site in the nucleotide-binding domain (NBD) of HSP70 adjacent to the ATP-binding site. Fragment binding was confirmed and characterized as ATP-competitive using SPR and ligand-observed NMR methods. Molecular dynamics simulations were applied to understand the interactions with the protein upon ligand binding, and local secondary structure changes consistent with interconversion between the observed crystal structures with and without the cryptic pocket were detected. A virtual high-throughput screen (vHTS) against the cryptic pocket was conducted, and five compounds with diverse chemical scaffolds were confirmed to bind to HSP70 with micromolar affinity by SPR. These results identified and characterized a new targetable site on HSP70. While targeting HSP70 remains challenging, the new site may provide opportunities to develop allosteric ATP-competitive inhibitors with differentiated physicochemical properties from current series.
Structural Insight and Development of EGFR Tyrosine Kinase Inhibitors
Authors: Amelia Tasia , Kartasasmita Rahmana Emran , Ohwada Tomohiko , Tjahjono Daryono Hadi
Published: January 2022

Lung cancer has a high prevalence, with a growing number of new cases and mortality every year. Furthermore, the survival rate of patients with non-small-cell lung carcinoma (NSCLC) is still quite low in the majority of cases. Despite the use of conventional therapy such as tyrosine kinase inhibitor for Epidermal Growth Factor Receptor (EGFR), which is highly expressed in most NSCLC cases, there was still no substantial improvement in patient survival. This is due to the drug’s ineffectiveness and high rate of resistance among individuals with mutant EGFR. Therefore, the development of new inhibitors is urgently needed. Understanding the EGFR structure, including its kinase domain and other parts of the protein, and its activation mechanism can accelerate the discovery of novel compounds targeting this protein. This study described the structure of the extracellular, transmembrane, and intracellular domains of EGFR. This was carried out along with identifying the binding pose of commercially available inhibitors in the ATP-binding and allosteric sites, thereby clarifying the research gaps that can be filled. The binding mechanism of inhibitors that have been used clinically was also explained, thereby aiding the structure-based development of new drugs.
Migration Testing of GPPS and HIPS Polymers: Swelling Effect Caused by Food Simulants Compared to Real Foods
Authors: Guazzotti Valeria , Gruner Anita , Juric Mladen , Hendrich Veronika , Störmer Angela , Welle Frank
Published: January 2022

Migration kinetic data from general purpose polystyrene (GPPS) and high impact polystyrene (HIPS) were generated for a set of model substances as well as styrene monomer and oligomers at different temperatures (20 °C, 40 °C, 60 °C) using food simulants stipulated in the European Regulation (EU) 10/2011 and real foods like milk, cream and olive oil (20 °C, 40 °C). The extent of polymer swelling was characterized gravimetrically and visual changes of the test specimens after migration contact were recorded. Isooctane and 95% ethanol caused strong swelling and visual changes of HIPS, overestimating real migration into foods especially at high temperatures; GPPS was affected by isooctane only at 60 °C. With 50% ethanol, after 10 days contact at 60 °C or 40 °C both polymers were slightly swollen. Contrary, most of the real foods analyzed caused no detectable swelling or visual changes of the investigated polymers. This study demonstrates that the recommendations provided by EU regulations are not always in agreement with the physicochemical properties of styrenic polymers. The critical point remains the selection of adequate food simulants/testing conditions, since the high overestimation of aggressive media can lead to non-compliance of polystyrene materials even if the migration into real food would be of no concern.
Thiazolidinedione Derivatives: In Silico, In Vitro, In Vivo, Antioxidant and Anti-Diabetic Evaluation
Authors: Sameeh Manal Y. , Khowdiary Manal M. , Nassar Hisham S. , Abdelall Mahmoud M. , Amer Hamada H. , Hamed Abdelaaty , Elhenawy Ahmed A.
Published: January 2022

This work aimed to synthesize a new antihyperglycemic thiazolidinedione based on the spectral data. The DFT\B3LYP\6-311G** level of theory was used to investigate the frontier molecular orbitals (FMOs), chemical reactivity and map the molecular electrostatic potentials (MEPs) to explain how the synthesized compounds interacted with the receptor. The molecular docking simulations into the active sites of PPAR-γ and α-amylase were performed. The in vitro potency of these compounds via α-amylase and radical scavenging were evaluated. The data revealed that compounds (4–6) have higher potency than the reference drugs. The anti-diabetic and anti-hyperlipidemic activities for thiazolidine-2,4-dione have been investigated in vivo using the alloxan-induced diabetic rat model along with the 30 days of treatment protocol. The investigated compounds didn’t show obvious reduction of blood glucose during pre-treatments compared to diabetic control, while after 30 days of treatments, the blood glucose level was lower than that of the diabetic control. Compounds (4–7) were able to regulate hyperlipidemia levels (cholesterol, triglyceride, high-density lipoproteins and low- and very-low-density lipoproteins) to nearly normal value at the 30th day.
Occurrence and Risk Assessment of Polybrominated Diphenyl Ethers in Surface Water and Sediment of Nahoon River Estuary, South Africa
Authors: Ohoro Chinemerem Ruth , Adeniji Abiodun Olagoke , Semerjian Lucy , Okoh Anthony Ifeanyi , Okoh Omobola Oluranti
Published: January 2022

The concentrations, potential sources, and compositional profile of PBDEs in the surface water and sediment of Nahoon Estuary, East London, South Africa, were investigated with solid-phase extraction and ultra-sonication, respectively, followed by gas-chromatography-electron capture detection. The seasonal range of the contaminants’ concentrations in water and sediment samples in spring season were ∑PBDE 329 ± 48.3 ng/L (25.32–785 ng/L) and ∑PBDE 4.19 ± 0.35 ng/g dw (1.91–6.57 ng/g), but ∑PBDE 62.1 ± 1.50 ng/L (30.1–110 ng/L) and ∑PBDE 65.4 ± 15.9 ng/g dw (1.98–235 ng/g) in summer, respectively. NH1 (first sampling point) was the most contaminated site with PBDE in the Estuary. The potential source of pollution is attributed to the stormwater runoff from a creek emptying directly into the Estuary. This study’s dominant PBDE congener is BDE-17, ranging from below detection limit to 247 ng/L and 0.14–32.1 ng/g in water and sediment samples, respectively. Most detected at all the sites were BDE-17, 47, 66, and 100. Most BDE-153 and 183 are found in sediment in agreement with the fact that higher brominated congeners of PBDE adsorb to solid materials. There was no correlation between the congeners and organic carbon and organic matter. However, the human health risk assessment conducted revealed that the PBDE concentration detected in the estuary poses a low eco-toxicological risk. Nevertheless, constant monitoring should be ensured to see that the river remains safe for the users, as it serves as a form of recreation to the public and a catchment to some neighbourhoods.
Binding Capabilities of Different Genetically Engineered pVIII Proteins of the Filamentous M13/Fd Virus and Single-Walled Carbon Nanotubes
Authors: Sweedan Amro , Cohen Yachin , Yaron Sima , Bashouti Muhammad Y.
Published: January 2022

Binding functional biomolecules to non-biological materials, such as single-walled carbon nanotubes (SWNTs), is a challenging task with relevance for different applications. However, no one has yet undertaken a comparison of the binding of SWNTs to different recombinant filamentous viruses (phages) bioengineered to contain different binding peptides fused to the virus coat proteins. This is important due to the range of possible binding efficiencies and scenarios that may arise when the protein’s amino acid sequence is modified, since the peptides may alter the virus’s biological properties or they may behave differently when they are in the context of being displayed on the virus coat protein; in addition, non-engineered viruses may non-specifically adsorb to SWNTs. To test these possibilities, we used four recombinant phage templates and the wild type. In the first circumstance, we observed different binding capabilities and biological functional alterations; e.g., some peptides, in the context of viral templates, did not bind to SWNTs, although it was proven that the bare peptide did. The second circumstance was excluded, as the wild-type virus was found to hardly bind to the SWNTs. These results may be relevant to the possible use of the virus as a “SWNT shuttle” in nano-scale self-assembly, particularly since the pIII proteins are free to act as binding-directing agents. Therefore, knowledge of the differences between and efficiencies of SWNT binding templates may help in choosing better binding phages or peptides for possible future applications and industrial mass production.
Advanced Optical Imaging-Guided Nanotheranostics towards Personalized Cancer Drug Delivery
Authors: Murar Madhura , Albertazzi Lorenzo , Pujals Silvia
Published: January 2022

Nanomedicine involves the use of nanotechnology for clinical applications and holds promise to improve treatments. Recent developments offer new hope for cancer detection, prevention and treatment; however, being a heterogenous disorder, cancer calls for a more targeted treatment approach. Personalized Medicine (PM) aims to revolutionize cancer therapy by matching the most effective treatment to individual patients. Nanotheranostics comprise a combination of therapy and diagnostic imaging incorporated in a nanosystem and are developed to fulfill the promise of PM by helping in the selection of treatments, the objective monitoring of response and the planning of follow-up therapy. Although well-established imaging techniques, such as Magnetic Resonance Imaging (MRI), Computed Tomography (CT), Positron Emission Tomography (PET) and Single-Photon Emission Computed Tomography (SPECT), are primarily used in the development of theranostics, Optical Imaging (OI) offers some advantages, such as high sensitivity, spatial and temporal resolution and less invasiveness. Additionally, it allows for multiplexing, using multi-color imaging and DNA barcoding, which further aids in the development of personalized treatments. Recent advances have also given rise to techniques permitting better penetration, opening new doors for OI-guided nanotheranostics. In this review, we describe in detail these recent advances that may be used to design and develop efficient and specific nanotheranostics for personalized cancer drug delivery.
Promoter-Bound Full-Length Intronic Circular RNAs-RNA Polymerase II Complexes Regulate Gene Expression in the Human Parasite Entamoeba histolytica
Authors: García-Lerena Jesús Alberto , González-Blanco Gretter , Saucedo-Cárdenas Odila , Valdés Jesús
Published: January 2022

Ubiquitous eukaryotic non-coding circular RNAs are involved in numerous co- and post-transcriptional regulatory mechanisms. Recently, we reported full-length intronic circular RNAs (flicRNAs) in Entamoeba histolytica, with 3′ss–5′ss ligation points and 5′ss GU-rich elements essential for their biogenesis and their suggested role in transcription regulation. Here, we explored how flicRNAs impact gene expression regulation. Using CLIP assays, followed by qRT-PCR, we identified that the RabX13 control flicRNA and virulence-associated flicRNAs were bound to the HA-tagged RNA Pol II C-terminus domain in E. histolytica transformants. The U2 snRNA was also present in such complexes, indicating that they belonged to transcription initiation/elongation complexes. Correspondingly, inhibition of the second step of splicing using boric acid reduced flicRNA formation and modified the expression of their parental genes and non-related genes. flicRNAs were also recovered from chromatin immunoprecipitation eluates, indicating that the flicRNA-Pol II complex was formed in the promoter of their cognate genes. Finally, two flicRNAs were found to be cytosolic, whose functions remain to be uncovered. Here, we provide novel evidence of the role of flicRNAs in gene expression regulation in cis, apparently in a widespread fashion, as an element bound to the RNA polymerase II transcription initiation complex, in E. histolytica.
Estimation of Intake of Critical Nutrients Associated with Noncommunicable Diseases According to the PAHO/WHO Criteria in the Diet of School-Age Children in Montevideo, Uruguay
Authors: Köncke Florencia , Toledo Cecilia , Berón Christian , Klaczko Iael , Carriquiry Alicia , Cediel Gustavo , Gomes Fabio S.
Published: January 2022

Purpose: To estimate the effect of the consumption of products with an excessive amount of critical nutrients associated with NCDs, according to the PAHO Nutrient Profile Model on the quality of the diet of Uruguayan school-age children (4 to 12 years). Methods: A 24 h recall of food intake was conducted in a representative sample of 332 participants in the evaluation of the School Feeding Program in 2018 in public schools in Montevideo, Uruguay. Food and preparations were categorized according to the NOVA food classification, according to the nature, extent, and purposes of the industrial processes they undergo. Later, they were analyzed according to the Pan American Health Organization Nutrient Profile Model (PAHO NPM) to identify processed and ultra-processed products with an excessive content of critical nutrients. Results: Only 0.52% of children consumed exclusively natural foods, or culinary ingredients. Twenty-five per cent of children consumed ≥4 products categorized with an excessive content of free sugars, total fat, or saturated fat according to the PAHO NPM; in the case of excessive sodium, this was 40%. In general, children who included products with excessive free sugars, sodium, or saturated fat in their diet exceeded the limits established by the World Health Organization, and, as a result, their diet is of poorer nutritional quality compared to children who did not consume such products. Conclusion: Diets free of ultra-processed and processed products with excess free sugars, total fats, saturated fats, and sodium increased the chances of school-age children in Montevideo of meeting WHO nutrient intake recommendations. Meanwhile, intake of each additional gram of products with excessive critical nutrients according to PAHO NPM, significantly worsens diets, preventing children from meeting WHO recommendations.
Effects of an Extensively Hydrolyzed Formula Supplemented with Two Human Milk Oligosaccharides on Growth, Tolerability, Safety and Infection Risk in Infants with Cow’s Milk Protein Allergy: A Randomized, Multi-Center Trial
Authors: Vandenplas Yvan , Żołnowska Marta , Berni Canani Roberto , Ludman Siân , Tengelyi Zsuzsanna , Moreno-Álvarez Ana , Goh Anne E. N. , Gosoniu Maria Laura , Kirwan Bridget-Anne , Tadi Monika , Heine Ralf G. ,   CINNAMON Study Investigator Group
Published: January 2022

This randomized clinical trial (Registration: NCT03085134) assessed if an extensively hydrolyzed formula (EHF) supplemented with two human milk oligosaccharides (HMO) and reduced protein content (2.20 g/100 kcal) supports normal growth in infants with cow’s milk protein allergy (CMPA). Secondary outcomes were gastrointestinal tolerability, safety, and effect on infections. Nonbreastfed infants aged 0–6 months with CMPA were enrolled. Body weight, length, and head circumference were measured monthly for 4 months (primary study endpoint), after 6 months, and at the age of 12 months. Of 200 infants screened, 194 (mean age 3.2 months) were randomized. At the 4-month follow-up, daily weight gain for the test formula was noninferior to the control formula; p < 0.005. There were no significant group differences in anthropometric parameters. Both formulas were safe and well tolerated. Infants in the HMO group had a statistically significant reduction in the frequency of upper respiratory tract infections and a lower incidence of ear infections at 12 months (per protocol analysis). The relative risk of lower respiratory tract and gastrointestinal infections was reduced by 30–40%, but this was not statistically significant due to sample size limitations. In summary, the HMO-supplemented formula supports normal growth in infants with CMPA and suggests a protective effect against respiratory and ear infections in the first year of life.
Gut Microbiome and Metabolome Variations in Self-Identified Muscle Builders Who Report Using Protein Supplements
Authors: Byerley Lauri O. , Gallivan Karyn M. , Christopher Courtney J. , Taylor Christopher M. , Luo Meng , Dowd Scot E. , Davis Gregory M. , Castro Hector F. , Campagna Shawn R. , Ondrak Kristin S.
Published: January 2022

Muscle builders frequently consume protein supplements, but little is known about their effect on the gut microbiota. This study compared the gut microbiome and metabolome of self-identified muscle builders who did or did not report consuming a protein supplement. Twenty-two participants (14 males and 8 females) consumed a protein supplement (PS), and seventeen participants (12 males and 5 females) did not (No PS). Participants provided a fecal sample and completed a 24-h food recall (ASA24). The PS group consumed significantly more protein (118 ± 12 g No PS vs. 169 ± 18 g PS, p = 0.02). Fecal metabolome and microbiome were analyzed by using untargeted metabolomics and 16S rRNA gene sequencing, respectively. Metabolomic analysis identified distinct metabolic profiles driven by allantoin (VIP score = 2.85, PS 2.3-fold higher), a catabolic product of uric acid. High-protein diets contain large quantities of purines, which gut microbes degrade to uric acid and then allantoin. The bacteria order Lactobacillales was higher in the PS group (22.6 ± 49 No PS vs. 136.5 ± 38.1, PS (p = 0.007)), and this bacteria family facilitates purine absorption and uric acid decomposition. Bacterial genes associated with nucleotide metabolism pathways (p < 0.001) were more highly expressed in the No PS group. Both fecal metagenomic and metabolomic analyses revealed that the PS group’s higher protein intake impacted nitrogen metabolism, specifically altering nucleotide degradation.
Baicalin Attenuates Oxidative Stress in a Tissue-Engineered Liver Model of NAFLD by Scavenging Reactive Oxygen Species
Authors: Gao Wen , Xu Bin , Zhang Yizhi , Liu Shuang , Duan Zhongping , Chen Yu , Zhang Xiaohui
Published: January 2022

Oxidative stress plays an important role in the pathogenesis of nonalcoholic fatty liver disease (NAFLD). Baicalin has been shown to exert protective effects in various liver diseases. The mechanism of baicalin’s antioxidative effect in NAFLD is currently unclear. The aim of this study was to investigate the effects and mechanisms of baicalin on oxidative stress in a new tissue-engineered liver model of NAFLD. The 3D model of NAFLD was induced by a fat-supplemented medium (fatty acids, FFA group) for 8 days and baicalin was administered on the 5th day. CCK-8 assay showed that baicalin at concentrations below 100 μM had no obvious cytotoxicity. Baicalin inhibited apoptosis and lactate dehydrogenase release in the FFA group. Baicalin reduced the levels of reactive oxygen species and malondialdehyde induced by FFA, and increased superoxide dismutase and glutathione amounts. However, it did not upregulate nuclear erythroid 2-related factor 2 compared with the FFA group. Mitochondrial morphology was partially restored after baicalin treatment, and ATP5A expression and mitochondrial membrane potential were increased. The superoxide anion scavenging ability of baicalin was enhanced in a dose-dependent manner. In summary, baicalin reduces oxidative stress and protects the mitochondria to inhibit apoptosis in the 3D NAFLD model via its own antioxidant activity.
Bibliometric Analysis of Global Research Productivity on Vitamin D and Bone Metabolism (2001–2020): Learn from the Past to Plan Future
Authors: Malik Ahmad Azam , Baig Mukhtiar , Butt Nadeem Shafique , Imran Muhammad , Alzahrani Sami Hamdan , Gazzaz Zohair Jamil
Published: January 2022

Vitamin D has long been known for preserving bone and non-skeletal health. Despite its magnitude of impact, scarce literature has explored the evolution of the relevant published literature. This study aimed at evaluating the trends and performance of Vitamin D and bone metabolism-related publications (2001–2020). All pertinent English language 16,887 articles were searched and extracted from the Web of Science (WoS) database and “R-Bibliometrix” was used for comprehensive analysis. Around 60,149 authors contributed from 114 countries, showing the USA on top with >1/4th of all articles, followed by Japan, China, and the United Kingdom. For authors, Cooper C, Dawson-Hughes B, and Holick MF were found to have written the most articles, citations and highest h-index, respectively. Corresponding authors from the top 20 countries collectively were responsible for around 84% of the articles. Among 2735 sources, Osteoporosis International (632), Journal of Bone and Mineral Research (569), and Bone (448) were foremost. Most prominent sources showed recent declining contributions. The increasing trend of publications with a higher spike from 2008 to 2014, followed by a gradual increase till 2017, was observed. Leading countries, affiliations, and authors showed collaborative publications and were mostly from developed countries with limited contributions, particularly from low- and middle-income countries.
Oligosaccharide Presentation Modulates the Molecular Recognition of Glycolipids by Galectins on Membrane Surfaces
Authors: Lete Marta G. , Franconetti Antonio , Delgado Sandra , Jiménez-Barbero Jesús , Ardá Ana
Published: January 2022

Galectins are a family of glycan binding proteins that stand out for the wide range of biological phenomena in which they are involved. Most galectin functions are associated with their glycan binding capacities, which are generally well characterized at the oligosaccharide level, but not at the glycoprotein or glycolipid level. Glycolipids form the part of cell membranes where they can act as galectin cellular receptors. In this scenario, glycan presentation as well as the membrane chemical and structural features are expected to have a strong impact in these molecular association processes. Herein, liposomes were used as membrane mimicking scaffolds for the presentation of glycosphingolipids (GSLs) and to investigate their interaction with Galectin-3 and the N-domain of Galectin-8 (Gal8N). The binding towards GM3 and GM1 and their non-silaylated GSLs was compared to the binding to the free glycans, devoid of lipid. The analysis was carried out using a combination of NMR methods, membrane perturbation studies, and molecular modeling. Our results showed a different tendency of the two galectins in their binding capacities towards the glycans, depending on whether they were free oligosaccharides or as part of GSL inserted into a lipid bilayer, highlighting the significance of GSL glycan presentation on membranes in lectin binding.
Nanostructured Drug Delivery Systems for Targeting 5-α-Reductase Inhibitors to the Hair Follicle
Authors: Tampucci Silvia , Paganini Valentina , Burgalassi Susi , Chetoni Patrizia , Monti Daniela
Published: January 2022

Androgenetic alopecia is a multifactorial condition characterized by noticeable hair loss, affecting both men and women and representing a debilitating and chronic disorder that considerably affects the quality of life. Available topical treatments based on minoxidil or finasteride require repeated applications and are associated with a certain number of adverse effects. The challenges associated with current treatments pave the way for the research of new therapeutic strategies, more precise and selective, and capable of providing long-term results. In this context, the present review examines the new proposed formulation strategies to deliver 5-α-reductase inhibitors in order to obtain a targeted drug delivery, for improving drug retention at the site of action in the hair follicle, contemporaneously reducing drug systemic absorption, which is the cause of important adverse effects. In particular, the research will be focused on the several aspects that influence the performance of nanostructured drug delivery systems in creating a depot in the hair follicles, such as particle size, surface charge, excipients, and combined application with external stimuli (infrared radiation, mechanical massage, ultrasounds application).
Physical Properties and Polymorphism of Acrylic Acid-Grafted Poly(1,4-butylene adipate-co-terephthalate)/Organically Modified Layered Double Hydroxide Nanocomposites
Authors: Chen Yun-Ju , Hung Yu-Jia , Chiang Ming-Yen , Wang En-Tze , Wu Tzong-Ming
Published: January 2022

Novel and biodegradable acrylic acid-grafted poly(1,4-butylene adipate-co-terephthalate)/organically modified layered double hydroxide (g-PBAT/m-LDH) nanocomposites were synthesized through the polycondensation and transesterification process, with the covalent linkages between the polymer and the inorganic materials. X-ray diffraction and transmission electron microscopy were used to characterize the structure and morphology of the g-PBAT/m-LDH nanocomposites. The experimental results show that the m-LDH was exfoliated and widely distributed in the g-PBAT matrix. The addition of m-LDH into the g-PBAT extensively improved the storage modulus at −90 °C, when compared to that of the pure g-PBAT matrix. The effects of the minor comonomer of the butylene terephthalate (BT) unit and the addition of m-LDH on the crystallization behavior, and the polymorphic crystals of the g-PBAT at numerous crystallization temperatures, were examined, using a differential scanning calorimeter (DSC). The data indicate that the minor comonomer of the BT unit into g-PBAT can significantly change the starting formation temperatures of the α-form and ꞵ-form crystals, while a change in the starting formation temperatures of the α-form and ꞵ-form crystals using the addition of m-LDH into g-PBAT is not evident.
Investigation of the Damping Capabilities of Different Resin-Based CAD/CAM Restorative Materials
Authors: Niem Thomas , Gonschorek Stefan , Wöstmann Bernd
Published: January 2022

The aim of the present study was to evaluate and quantify the damping properties of common resin-based computer-aided design and computer-aided manufacturing (CAD/CAM) restorative materials (CRMs) and assess their energy dissipation abilities. Leeb hardness (HLD), together with its deduced energy dissipation data (HLDdis), and loss tangent values recorded via dynamic mechanical analysis (DMA) were determined for six polymer, four composite, and one ceramic CRM as well as one metal. Data were statistically analyzed. Among resin-based CRMs, the significantly highest HLDdis data were detected for the fiber-reinforced composite FD (p < 0.001) directly followed by the filler-reinforced Ambarino High Class (p < 0.001). The significantly lowest HLDdis values were observed for the polymer-based CRM Telio CAD (p < 0.001). For loss tangent, both PEEK materials showed the significantly lowest data and the polymer-based M-PM the highest results with all composite CRMs in between. HLDdis data, which simultaneously record the energy dissipation mechanism of plastic material deformation, more precisely characterize the damping behavior of resin-based CRMs compared to loss tangent results that merely describe viscoelastic material behavior. Depending on material composition, resin-based CRMs reveal extremely different ratios of viscoelastic damping but frequently show enhanced HLDdis values because of plastic material deformation. Future developments in CAD/CAM restorative technology should focus on developing improved viscoelastic damping effects.
A Potential of New Untreated Bio-Reinforcement from Caesalpinia sappan L. Wood Fiber for Polybutylene Succinate Composite Film
Authors: Martwong Ekkachai , Tran Yvette , Natsrita Nattawadee , Kaewpang Chaithip , Kongsuk Kittisak , Nakaramontri Yeampon , Sukhawipat Nathapong
Published: January 2022

Natural cellulose-based Caesalpinia sappan L. wood fiber (CSWF) has been demonstrated to have significant promise as a new untreated bio-reinforcement of the polybutylene succinate (PBS) composite film. The morphology, mechanical characteristics, and biodegradation were investigated. The morphology, the fiber distribution, and the fiber aggregation has been discussed. The properties of the composite have been improved by the addition of CSWF from 5 phr to 10 phr, while with the addition of 15 phr, the properties were dropped. The result showed that CSWF could be used as a new reinforcement without any treatment, and 10 phr of CSWF was the best formulation of a new biocomposite film. The PBS/CSWF10 composite film had the highest mechanical strength, with a tensile strength of 12.21 N/mm2 and an elongation at break of 21.01%, respectively. It was completely degraded by soil bury in three months. Therefore, the PBS/CSWF10 composite film has the potential to be a green with a promising short-term degradation.
Applicability of Food Grade Modified Starches as a Carrier of Microelements
Authors: Śmigielska Hanna , Błaszczak Wioletta , Lewandowicz Grażyna
Published: January 2022

Growth in the human population and intensive, large-scale farming results in a lowering in the quality of nutrition. An oversupply of food energy is often accompanied with a deficiency in micronutrients. To address this problem, the food industry provides products enriched with bioactive substances. The main challenge of this technology is the even distribution of micronutrients in the matrix of the fortified food. A possible solution to this challenge is to use stable and effective carriers. The aim of this work was to verify the applicability of native potato starch and modified starches (commonly used in the food industry) as carriers for microelements. Adsorptions were carried out in starch suspensions at a temperature below gelatinisation. The native potato starch and the modified starches (E 1404, E 1412, E 1420, and E 1422) were assessed for their effectiveness in adsorbing copper, iron, and zinc sulphates or gluconates. Pasting characteristics were analysed using a Brabender viscograph and light microscopy. Furthermore, texture profile analysis of starch-based desserts was carried out with the use of the tested carriers. Starch in both its native and modified forms was able to effectively adsorb copper, iron, and zinc ions. Adsorption was more efficient when using modified starches containing hydrophilic carboxyl groups. The effectiveness of adsorption with oxidised starches increased with an increase in the degree of substitution. Starches containing more hydrophobic acetyl groups were less effective as adsorbents of microelements. The cation adsorption efficiency decreased in the order copper > iron > zinc, and sulphates were better adsorbed than gluconates. Copper ions influenced the pasting characteristics of the oxidised starches, and these effects were dependent on the degree of substitution with carboxyl groups. As observed by light microscopy, the presence of copper ions changes the interaction between the starch macromolecules and water. However, the above-mentioned changes did not significantly affect the texture of traditional sweet desserts. Starch, particularly its oxidised derivatives containing hydrophilic oxidised groups, can be recommended as a carrier of microelements for food fortification. The use of modified starches containing relatively hydrophobic acetyl groups is not appropriate because they absorb microelements less efficiently than native starch.
Temperature Control of Exothermic Reactions Using n-Octadecane@MF Resin microPCMs Based on Esterification Reactions
Authors: Li Chenghao , Ni Lei , Chen Qiang , Jiang Juncheng , Zhou Kuibin
Published: January 2022

Reaction thermal runaway, caused by excessive temperatures of the reaction system, threatens the safety of operators. Latent heat storage by phase change materials (PCMs) has the advantages of high energy storage density and stable temperature during the energy storage process, which was widely applied in many fields and provides a new idea for the temperature control of thermal runaway reactions. In this study, microencapsulated phase change materials (microPCMs) with a melamine-formaldehybe (MF) resin shell was fabricated by in situ polymerization. The characterization of the micro morphology, chemical bonds, crystal structure, thermal properties, and thermal stability of microPCMs showed that the prepared microPCMs had integrated spherical morphologies and smooth surfaces, with an encapsulation ratio of approximately 70% and good thermal stability. Furthermore, taking the esterification of propionic anhydride (PA) and 2-butanol (2B) as examples, n-octadecane@MF resin microPCMs was used to control the reaction temperature under various operation conditions in semi-batch reactors. The experimental results showed that the mechanism of the n-octadecane@MF resin microPCMs on the control of reaction temperature in semi-batch reactors was the combination of both physical and chemical interactions. The applications of microPCMs for the control of reaction temperature hold great potential for use in industrial processes.
Acknowledgment to Reviewers of Publications in 2021
Authors:   Publications Editorial Office
Published: January 2022

Rigorous peer-reviews are the basis of high-quality academic publishing [...]
Predicting Ice Phenomena in a River Using the Artificial Neural Network and Extreme Gradient Boosting
Authors: Graf Renata , Kolerski Tomasz , Zhu Senlin
Published: January 2022

Forecasting ice phenomena in river systems is of great importance because these phenomena are a fundamental part of the hydrological regime. Due to the stochasticity of ice phenomena, their prediction is a difficult process, especially when data sets are sparse or incomplete. In this study, two machine learning models—Multilayer Perceptron Neural Network (MLPNN) and Extreme Gradient Boosting (XGBoost)—were developed to predict ice phenomena in the Warta River in Poland in a temperate climate zone. Observational data from eight river gauges during the period 1983–2013 were used. The performance of the model was evaluated using four model fit measures. The results showed that the choice of input variables influenced the accuracy of the developed models. The most important predictors were the nature of phenomena on the day before an observation, as well as water and air temperatures; river flow and water level were less important for predicting the formation of ice phenomena. The modeling results showed that both MLPNN and XGBoost provided promising results for the prediction of ice phenomena. The research results of the present study could also be useful for predicting ice phenomena in other regions.
Acknowledgment to Reviewers of Rheumato in 2021
Authors:   Rheumato Editorial Office
Published: January 2022

Rigorous peer-reviews are the basis of high-quality academic publishing [...]
UAV Oblique Imagery with an Adaptive Micro-Terrain Model for Estimation of Leaf Area Index and Height of Maize Canopy from 3D Point Clouds
Authors: Li Minhui , Shamshiri Redmond R. , Schirrmann Michael , Weltzien Cornelia , Shafian Sanaz , Laursen Morten Stigaard
Published: January 2022

Leaf area index (LAI) and height are two critical measures of maize crops that are used in ecophysiological and morphological studies for growth evaluation, health assessment, and yield prediction. However, mapping spatial and temporal variability of LAI in fields using handheld tools and traditional techniques is a tedious and costly pointwise operation that provides information only within limited areas. The objective of this study was to evaluate the reliability of mapping LAI and height of maize canopy from 3D point clouds generated from UAV oblique imagery with the adaptive micro-terrain model. The experiment was carried out in a field planted with three cultivars having different canopy shapes and four replicates covering a total area of 48 × 36 m. RGB images in nadir and oblique view were acquired from the maize field at six different time slots during the growing season. Images were processed by Agisoft Metashape to generate 3D point clouds using the structure from motion method and were later processed by MATLAB to obtain clean canopy structure, including height and density. The LAI was estimated by a multivariate linear regression model using crop canopy descriptors derived from the 3D point cloud, which account for height and leaf density distribution along the canopy height. A simulation analysis based on the Sine function effectively demonstrated the micro-terrain model from point clouds. For the ground truth data, a randomized block design with 24 sample areas was used to manually measure LAI, height, N-pen data, and yield during the growing season. It was found that canopy height data from the 3D point clouds has a relatively strong correlation (R2 = 0.89, 0.86, 0.78) with the manual measurement for three cultivars with CH90. The proposed methodology allows a cost-effective high-resolution mapping of in-field LAI index extraction through UAV 3D data to be used as an alternative to the conventional LAI assessments even in inaccessible regions.
Low-Cost Single-Frequency DGNSS/DBA Combined Positioning Research and Performance Evaluation
Authors: Wang Shengliang , Dong Xianshu , Liu Genyou , Gao Ming , Zhao Wenhao , Lv Dong , Cao Shilong
Published: January 2022

In recent years, low-cost single-frequency GNSS receivers have been widely used in many fields such as mass navigation and deformation monitoring; however, due to the poor signal quality of low-cost patch antennae, it is difficult for carrier phase real-time kinematic (RTK) technology to fix the integer ambiguity. Differential GNSS (DGNSS) positioning with pseudorange can effectively meet the high robustness and reliability requirements for the submeter to the meter level positioning accuracy of UVA/vehicle/aerospace users. To improve the DGNSS positioning accuracy and reliability of low-cost single-frequency GNSS receivers in complex environments, we propose a differential barometric altimetry (DBA)-assisted DGNSS positioning algorithm, which solves the DGNSS observation equations jointly and rigorously with the Earth ellipsoidal constraint equations constructed by the DBA altitude. The DBA altitude accuracy at different baseline lengths was evaluated in detail, and the DGNSS positioning performance of the single-frequency low-cost u-blox receiver NEO-M8T with a patch antenna and DGNSS/DBA combined positioning performance with the BMP280 barometer was analyzed by several sets of static and dynamic experiments under different environments. The results show that the single-frequency NEO-M8T receiver with patch antenna DGNSS positioning accuracy is submeter level in the static environment and drops to meter level in the dynamic environment. GPS+BDS dual system has higher positioning accuracy than single GPS or single BDS. DGNSS/DBA combination has higher positioning accuracy than DGNSS, especially the root mean square error (RMSE) can be improved by 30% to 80% in the U direction and slightly improved in the N and E directions. This study can provide an effective solution reference for various applications of low-cost sensor fusion positioning in the mass consumer market.
Air-Ground Multi-Source Image Matching Based on High-Precision Reference Image
Authors: Zhang Yongxian , Ma Guorui , Wu Jiao
Published: January 2022

Robustness of aerial-ground multi-source image matching is closely related to the quality of the ground reference image. To explore the influence of reference images on the performance of air-ground multi-source image matching, we focused on the impact of the control point projection accuracy and tie point accuracy on bundle adjustment results for generating digital orthophoto images by using the Structure from Motion algorithm and Monte Carlo analysis. Additionally, we developed a method to learn local deep features in natural environments based on fine-tuning the pre-trained ResNet50 model and used the method to match multi-scale, multi-seasonal, and multi-viewpoint air-ground multi-source images. The results show that the proposed method could yield a relatively even distribution of feature corresponding points under different conditions, seasons, viewpoints, illuminations. Compared with state-of-the-art hand-crafted computer vision and deep learning matching methods, the proposed method demonstrated more efficient and robust matching performance that could be applied to a variety of unmanned aerial vehicle self- and target-positioning applications in GPS-denied areas.
A Simple Cloud-Native Spectral Transformation Method to Disentangle Optically Shallow and Deep Waters in Sentinel-2 Images
Authors: Lee Chengfa Benjamin , Traganos Dimosthenis , Reinartz Peter
Published: January 2022

This study presents a novel method to identify optically deep water using purely spectral approaches. Optically deep waters, where the seabed is too deep for a bottom reflectance signal to be returned, is uninformative for seabed mapping. Furthermore, owing to the attenuation of light in the water column, submerged vegetation at deeper depths is easily confused with optically deep waters, thereby inducing misclassifications that reduce the accuracy of these seabed maps. While bathymetry data could mask out deeper areas, they are not always available or of sufficient spatial resolution for use. Without bathymetry data and based on the coastal aerosol blue green (1-2-3) bands of the Sentinel-2 imagery, this study investigates the use of band ratios and a false colour HSV transformation of both L1C and L2A images to separate optically deep and shallow waters across varying water quality over four tropical and temperate submerged sites: Tanzania, the Bahamas, the Caspian Sea (Kazakhstan) and the Wadden Sea (Denmark and Germany). Two supervised thresholds based on annotated reference data and an unsupervised Otsu threshold were applied. The band ratio group usually featured the best overall accuracies (OA), F1 scores and Matthews correlation coefficients, although the individual band combination might not perform consistently across different sites. Meanwhile, the saturation and hue band yielded close to best performance for the L1C and L2A images, featuring OA of up to 0.93 and 0.98, respectively, and a more consistent behaviour than the individual band ratios. Nonetheless, all these spectral methods are still susceptible to sunglint, the Sentinel-2 parallax effect, turbidity and water colour. Both supervised approaches performed similarly and were superior to the unsupervised Otsu’s method—the supervised methods featuring OA were usually over 0.70, while the unsupervised OA were usually under 0.80. In the absence of bathymetry data, this method could effectively remove optically deep water pixels in Sentinel-2 imagery and reduce the issue of dark pixel misclassification, thereby improving the benthic mapping of optically shallow waters and their seascapes.