bluuebunny/crossref_metadata_2025 huggingface dataset:
Comparison on Impact Toughness of High-Strength Metastable β Titanium Alloy with Bimodal and Lamellar Microstructures
Authors: Wang Jing , Zhao Yongqing , Zhao Qinyang , Lei Chao , Zhou Wei , Zeng Weidong
Published: February 2022

The impact toughness of a high-strength metastable β titanium alloy (Ti-5Cr-4Al-4Zr-3Mo-2W-0.8Fe) with two typical microstructures is studied by Charpy impact tests. The bimodal microstructure (BM) and the lamellar microstructure (LM) are obtained by the solution and aging treatments and the β annealing, slow cooling and aging treatments, respectively. In the impact crack initiation process, the deformation capacities of the primary α (αp) phase, secondary α (αs) phase and transformed β (βt) matrix in the BM are very different, and the stress gradient at the interface of the three causes the crack initiation. The lamellar α (αl) phase and βt in the LM satisfy the BOR relationship, and the effective slip transfer between α and β phases slows down the crack initiation. Meanwhile, the appearance of deformation twins in the LM improves the crack initiation energy. In the crack propagation process, the lack of coordinated deformation between the α and β phases in the BM leads to rapid crack propagation. In the LM, the deformation of αl and βt is relatively more coordinated, so the severe plastic deformation is only concentrated near the crack and at the interface. The secondary crack initiation and the crack propagation along the twin boundary reduce the stress concentration at the crack tip. The deformation twins and zigzag propagation path can improve the crack propagation energy. To summarize, the alloy with LM exhibits better impact toughness than the alloy with BM.
Programmed Shape-Morphing Material Using Single-Layer 4D Printing System
Authors: Lee Seonjin , Bang Doyeon , Park Jong-Oh , Choi Eunpyo
Published: February 2022

The single-layer 4D printing technology that can be controllable in response to external stimuli is a tremendous challenge in many areas, including smart materials, robotics, and drug delivery systems. The single-layer 4D printing technique was enabled by light-focusing, which results in the difference of mechanical properties such as the coefficient of thermal expansion or Young’s modulus between focused and unfocused regions. However, 4D printing to the desired shape using single-layered material is challenging. In this paper, we demonstrate the programmed shape morphing by patterning both the static and shape-morphing layers using a single-layer 4D printing system. A shape-morphing layer is formulated by short-time (<3 s) illumination in UV light. Then a static layer is formulated by longer-time (>3 s) illumination in UV light. We expect this technique to lead to the development of micro-scale soft robots.
Morphology, Electrical and Optical Properties of Cu Nanostructures Embedded in AZO: A Comparison between Dry and Wet Methods
Authors: Boscarino Stefano , Censabella Maria , Micali Melanie , Russo Marco , Terrasi Antonio , Grimaldi Maria Grazia , Ruffino Francesco
Published: February 2022

Herein, Cu nanostructures are obtained by solid-state dewetting of 9 nm copper layer (dry) or by ablating copper target, using a nanosecond pulsed laser at 1064 nm, in acetone and isopropyl alcohol (wet). The Cu nanostructures are embedded in aluminum-doped zinc oxide layer. Then, the electrical, optical, and morphological properties of the two kinds of systems, as a function of their synthesis parameters, are investigated. The aim is to compare the two fabrication methods and select the main conditions to achieve the best system for photovoltaic applications. The main differences, exhibited by the wet and dry processes, were in the shape and size of the Cu nanostructures. Dewetting in nitrogen produces faceted nanoparticles, with an average size below 150 nm, while laser ablation originates spherical and smaller nanoparticles, below 50 nm. Dry system underwent to thermal annealing, which improves the electrical properties, compared to the wet system, with a sheet resistance of 103 vs. 106 Ω/sq, respectively; finally, the dry system shows a maximum transmittance of 89.7% at 697 nm, compared to the wet system in acetone, 88.4% at 647 nm, as well as in isopropyl alcohol, 86.9% at 686 nm. Moreover, wet systems show higher transmittance in NUV.
Coconut Mesocarp-Based Lignocellulosic Waste as a Substrate for Cellulase Production from High Promising Multienzyme-Producing Bacillus amyloliquefaciens FW2 without Pretreatments
Authors: Pham Van Hong Thi , Kim Jaisoo , Shim Jeahong , Chang Soonwoong , Chung Woojin
Published: February 2022

Facing the crucial issue of high cost in cellulase production from commercial celluloses, inexpensive lignocellulosic materials from agricultural wastes have been attractive. Therefore, several studies have focused on increasing the efficiency of cellulase production by potential microorganisms capable of secreting a high and diversified amount of enzymes using agricultural waste as valuable substrates. Especially, extremophilic bacteria play an important role in biorefinery due to their high value catalytic enzymes that are active even under harsh environmental conditions. Therefore, in this study, we aim to investigate the ability to produce cellulase from coconut-mesocarp of the potential bacterial strain FW2 that was isolated from kitchen food waste in South Korea. This strain was tolerant in a wide range of temperature (−6–75 °C, pH range (4.5–12)) and at high salt concentration up to 35% NaCl. The molecular weight of the purified cellulase produced from strain FW2 was estimated to be 55 kDa. Optimal conditions for the enzyme activity using commercial substrates were found to be 40–50 °C, pH 7.0–7.5, and 0–10% NaCl observed in 920 U/mL of CMCase, 1300 U/mL of Avicelase, and 150 U/mL of FPase. It was achieved in 650 U/mL, 720 U/mL, and 140 U/mL of CMCase, Avicelase, and FPase using coconut-mesocarp, respectively. The results revealed that enzyme production by strain FW2 may have significant commercial values for industry, argo-waste treatment, and other potential applications.
Qualitative and Quantitative Analysis of Secondary Metabolites in Morphological Parts of Paulownia Clon In Vitro 112® and Their Anticoagulant Properties in Whole Human Blood
Authors: Stochmal Anna , Moniuszko-Szajwaj Barbara , Zuchowski Jerzy , Pecio Łukasz , Kontek Bogdan , Szumacher-Strabel Malgorzata , Olas Beata , Cieslak Adam
Published: February 2022

It is not easy to find data in the scientific literature on the quantitative content of individual phytochemicals. It is possible to find groups of compounds and even individual compounds rather easily, but it is not known what their concentration is in cultivated or wild plants. Therefore, the subject of this study was to determine the content of individual compounds in the new Paulownia species, Oxytree, developed in a biotechnology laboratory in 2008 at La Mancha University in Spain. Six secondary metabolites were isolated, and their chemical structure was confirmed by spectral methods. An analytical method was developed, which was then used to determine the content of individual compounds in leaves, twigs, flowers and fruits of Paulownia Clon in Vitro 112®. No flavonoids were found in twigs and fruits of Oxytree, while the highest phenylethanoid glycosides were found in twigs. In this study, we also focused on biological properties (anticoagulant or procoagulant) of extract and four fractions (A–D) of different chemical composition from Paulownia Clon in Vitro 112 leaves using whole human blood. These properties were determined based on the thrombus-formation analysis system (T-TAS), which imitates in vivo conditions to assess whole blood thrombogenecity. We observed that three fractions (A, C and D) from leaves decrease AUC10 measured by T-TAS. In addition, fraction D rich in triterpenoids showed the strongest anticoagulant activity. However, in order to clarify the exact mechanism of action of the active substances present in this plant, studies closer to physiological conditions, i.e., in vivo studies, should be performed, which will also allow to determine the effects of their long-term effects.
Microwave Synthesis of Copper Phyllosilicates as Effective Catalysts for Hydrogenation of C≡C Bonds
Authors: Shesterkina Anastasiya , Vikanova Kseniia , Kostyukhin Egor , Strekalova Anna , Shuvalova Elena , Kapustin Gennady , Salmi Tapio
Published: February 2022

For the first time, the new microwave-assisted method for the synthesis of copper phyllosilicates on a commercial SiO2 carrier was developed. The application of microwave synthesis allowed to decrease the synthesis time from 9 to 6 h compared to the traditional DPU method of preparing chrysocolla. The synthesized catalysts were studied by N2 adsorption, TEM and XRD methods. Catalysts prepared by microwave method are highly effective in the selective hydrogenation of the С≡С bond in 1,4-butynediol to 1,4-butenediol and 2-phenylethinylaniline with a selectivity of 96.5% and 100% at full conversion for 2 and 0.5 h of the reaction, respectively.
Lipid Droplets in Cancer: From Composition and Role to Imaging and Therapeutics
Authors: Antunes Patrícia , Cruz Adriana , Barbosa José , Bonifácio Vasco D. B. , Pinto Sandra N.
Published: February 2022

Cancer is the second most common cause of death worldwide, having its origin in the abnormal growth of cells. Available chemotherapeutics still present major drawbacks, usually associated with high toxicity and poor distribution, with only a small fraction of drugs reaching the tumour sites. Thus, it is urgent to develop novel therapeutic strategies. Cancer cells can reprogram their lipid metabolism to sustain uncontrolled proliferation, and, therefore, accumulate a higher amount of lipid droplets (LDs). LDs are cytoplasmic organelles that store neutral lipids and are hypothesized to sequester anti-cancer drugs, leading to reduced efficacy. Thus, the increased biogenesis of LDs in neoplastic conditions makes them suitable targets for anticancer therapy and for the development of new dyes for cancer cells imaging. In recent years, cancer nanotherapeutics offered some exciting possibilities, including improvement tumour detection and eradication. In this review we summarize LDs biogenesis, structure and composition, and highlight their role in cancer theranostics.
Investigation of Laser-Induced Periodic Surface Structures Using Synthetic Optical Holography
Authors: Neutsch Krisztian , Gurevich Evgeny L. , Hofmann Martin R. , Gerhardt Nils C.
Published: February 2022

In this paper, the investigation of laser-induced periodic surface structures (LIPSSs) on a polycrystalline diamond substrate using synthetic optical holography (SOH) is demonstrated. While many techniques for LIPSS detection operate with sample contact and/or require preparation or processing of the sample, this novel technique operates entirely non-invasively without any processing of or contact with the LIPSS sample at all. The setup provides holographic amplitude and phase images of the investigated sample with confocally enhanced and diffraction-limited lateral resolution, as well as three-dimensional surface topography images of the periodic structures via phase reconstruction with one single-layer scan only.
Dependence of Electrical Conductivity on Phase Morphology for Graphene Selectively Located at the Interface of Polypropylene/Polyethylene Composites
Authors: Tu Ce , Nagata Kenji , Yan Shouke
Published: February 2022

Conductive composites of polypropylene (PP) and polyethylene (PE) filled with thermally reduced graphene oxide (TRG) were prepared using two different processing sequences. One was a one-step processing method in which the TRG was simultaneously melt blended with PE and PP, called TRG/PP/PE. The second was a two-step processing method in which the TRG and the PP were mixed first, and then the (TRG/PP) masterbatch was blended with PE, called (TRG/PP)/PE. The phase morphology and localization of the TRG in TRG/PP/PE and (TRG/PP)/PE composites with different PP/PE compositions were observed by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The TRG was found to be selectively dispersed in the PE phase of the TRG/PP/PE composites, resulting in a low percolation threshold near 2.0 wt%. In the (TRG/PP)/PE composites, the TRG was selectively located at the PP/PE blend interface, resulting in a percolation threshold that was lower than 1.0 wt%. With the addition of 2.0 wt% TRG, the (TRG/PP)/PE composites exhibited a wide range of electrical conductivities at PP/PE weight ratios of 10 w/90 w to 80 w/20 w. Moreover, electrical and rheological measurements of the composites revealed that the co-continuous phase structure is the most efficient candidate for the fabrication of conductive composites.
Stability and Bandgap Engineering of In1−xGaxSe Monolayer
Authors: Salomone Mattia , Raffone Federico , Re Fiorentin Michele , Risplendi Francesca , Cicero Giancarlo
Published: February 2022

Bandgap engineering of semiconductor materials represents a crucial step for their employment in optoelectronics and photonics. It offers the opportunity to tailor their electronic and optical properties, increasing the degree of freedom in designing new devices and widening the range of their possible applications. Here, we report the bandgap engineering of a layered InSe monolayer, a superior electronic and optical material, by substituting In atoms with Ga atoms. We developed a theoretical understanding of In1−xGaxSe stability and electronic properties in its whole compositional range (x=0−1) through first-principles density functional theory calculations, the cluster expansion method, and kinetic Monte Carlo simulations. Our findings highlight the possibility of modulating the InGaSe bandgap by ≈0.41 eV and reveal that this compound is an excellent candidate to be employed in many optoelectronic and photonic devices.
Exploiting Endocytosis for Non-Spherical Nanoparticle Cellular Uptake
Authors: Niaz Saad , Forbes Ben , Raimi-Abraham Bahijja Tolulope
Published: February 2022

Several challenges exist for successful nanoparticle cellular uptake—they must be able to cross many physical barriers to reach their target and overcome the cell membrane. A strategy to overcome this challenge is to exploit natural uptake mechanisms namely passive and endocytic (i.e., clathrin- and caveolin-dependent/-independent endocytosis, macropinocytosis and phagocytosis). The influence of nanoparticle material and size is well documented and understood compared to the influence of nanomaterial shape. Generally, nanoparticle shape is referred to as being either spherical or non-spherical and is known to be an important factor in many processes. Nanoparticle shape-dependent effects in areas such as immune response, cancer drug delivery, theranostics and overall implications for nanomedicines are of great interest. Studies have looked at the cellular uptake of spherical NPs, however, fewer in comparison have investigated the cellular uptake of non-spherical NPs. This review explores the exploitation of endocytic pathways for mainly inorganic non-spherical (shapes of focus include rod, triangular, star-shaped and nanospiked) nanoparticles cellular uptake. The role of mathematical modelling as predictive tools for non-spherical nanoparticle cellular uptake is also reviewed. Both quantitative structure-activity relationship (QSAR) and continuum membrane modelling have been used to gain greater insight into the cellular uptake of complex non-spherical NPs at a greater depth difficult to achieve using experimental methods.
Selenoproteins in the Human Placenta: How Essential Is Selenium to a Healthy Start to Life?
Authors: Hogan Claire , Perkins Anthony V.
Published: February 2022

Selenium is an essential trace element required for human health, and selenium deficiency has been associated with many diseases. The daily recommended intake of selenium is 60 µg/day for adults, which increases to 65 µg/day for women when pregnant. Selenium is incorporated into the 21st amino acid, selenocysteine (sec), a critical component of selenoproteins that plays an important role in a variety of biological responses such as antioxidant defence, reactive oxygen species (ROS) signalling, formation of thyroid hormones, DNA synthesis and the unfolded protein response in the endoplasmic reticulum (ER). Although 25 selenoproteins have been identified, the role of many of these is yet to be fully characterised. This review summarises the current evidence demonstrating that selenium is essential for a healthy pregnancy and that poor selenium status leads to gestational disorders. In particular, we focus on the importance of the placental selenoproteome, and the role these proteins may play in a healthy start to life.
Convenience Food Options and Adequacy of Nutrient Intake among School Children during the COVID-19 Pandemic
Authors: Rahman Nihaal , Ishitsuka Kazue , Piedvache Aurélie , Tanaka Hisako , Murayama Nobuko , Morisaki Naho
Published: February 2022

The COVID-19 pandemic has caused changes in the family food environment, resulting in more families relying on convenience food options. This study aimed to investigate diet quality by convenience food options (namely instant, frozen, and take-out foods) among Japanese school children during the COVID-19 pandemic. We examined the relationship between the frequency of consumption of convenience food options and nutritional status of the school children. The participants (671 children, 10–14 years old) were chosen to form a nationally representative sample of the Japanese population. Using questionnaires completed by the participants’ guardians, information was collected on the frequency of instant, frozen, and take-out food consumption. Habitual food and nutrient intake were collected using a validated food frequency questionnaire, completed by the children with help from their guardian(s). “Frequent” consumption was defined as consumption of instant, frozen, and/or take-out foods on more than 5 days per week. Using 19 nutrients and their respective dietary reference intake (DRI) values, an index was created to label each child’s nutrient intake as “Adequate”, “Inadequate”, “Excess”, or “Deficient.” Compared to children with non-frequent consumption, school children with frequent instant food consumption had significantly higher rates of inadequate nutrient intake (risk ratio (RR) = 3.0 [95% CI: 1.6–5.6]) and excess nutrient intake (RR = 2.3 [95% CI: 1.3–4.2]), while school children with frequent take-out food consumption had significantly higher rates of inadequate nutrient intake (RR = 2.1 [95% CI: 1.3–3.3]). There were no significant differences for children with frequent frozen-food intake. These associations did not change when adjusting for sociodemographic factors. Our results suggest that the frequent consumption of instant or take-out foods among school children results in non-adequate nutritional intake.
A Four-Probiotics Regimen Combined with A Standard Helicobacter pylori-Eradication Treatment Reduces Side Effects and Increases Eradication Rates
Authors: Viazis Nikos , Argyriou Konstantinos , Kotzampassi Katerina , Christodoulou Dimitrios K. , Apostolopoulos Periklis , Georgopoulos Sotirios D. , Liatsos Christos , Giouleme Olga , Koustenis Kanellos , Veretanos Christos , Stogiannou Dimitris , Moutzoukis Miltiadis , Poutakidis Charalambos , Mylonas Ioannis Ioardanis , Tseti Ioulia , Mantzaris Gerassimos J.
Published: February 2022

Aim: To establish whether the addition of probiotics to a globally accepted Helicobacter pylori (H. pylori)-eradication scheme may reduce the rates of side effects and increase the eradication rates. Methods. Prospective, randomized, placebo-controlled trial of patients receiving eradication therapy for H. pylori in the eight participating centers. All patients received a 10-day proton pump inhibitor containing non-bismuth quadruple therapeutic regimen for H. pylori eradication (omeprazole 20 mg, amoxycillin 1 g, clarithromycin 500 mg, and metronidazole 500 mg all twice daily orally) and were randomized to receive either probiotics (group A) or placebo (group B). The probiotic used combined four probiotic strains, i.e., Lactobacillus Acidophilus, Lactiplantibacillus plantarum, Bifidobacterium lactis, and Saccharomyces boulardii. Results. Data were analyzed for 329 patients in group A and 335 patients in group B. Fifty six (17.0%) patients in group A and 170 (50.7%) patients in group B reported the occurrence of an H. pylori treatment-associated new symptom or the aggravation of a pre-existing symptom of any severity (p < 0.00001). H. pylori was successfully eradicated in 303 patients in group A (92.0%) and 291 patients in group B (86.8%), (p = 0.028). Conclusion: Adding probiotics to the 10-day concomitant non-bismuth quadruple H. pylori eradication regimen increases the eradication rate and decreases side effects.
Influence of Nutritional Intakes in Japan and the United States on COVID-19 Infection
Authors: Kagawa Yasuo
Published: February 2022

The U.S. and Japan are both democratic industrialized societies, but the numbers of COVID-19 cases and deaths per million people in the U.S. (including Japanese Americans) are 12.1-times and 17.4-times higher, respectively, than those in Japan. The aim of this study was to investigate the effects of diet on preventing COVID-19 infection. An analysis of dietary intake and the prevalence of obesity in the populations of both countries was performed, and their effects on COVID-19 infection were examined. Approximately 1.5-times more saturated fat and less eicosapentaenoic acid/docosahexaenoic acid are consumed in the U.S. than in Japan. Compared with food intakes in Japan (100%), those in the U.S. were as follows: beef 396%, sugar and sweeteners 235%, fish 44.3%, rice 11.5%, soybeans 0.5%, and tea 54.7%. The last four of these foods contain functional substances that prevent COVID-19. The prevalence of obesity is 7.4- and 10-times greater in the U.S. than in Japan for males and females, respectively. Mendelian randomization established a causal relationship between obesity and COVID-19 infection. Large differences in nutrient intakes and the prevalence of obesity, but not racial differences, may be partly responsible for differences in the incidence and mortality of COVID-19 between the U.S. and Japan.
First Detection and Genomic Characterization of Bovine Norovirus from Yak
Authors: Cui Yuchen , Chen Xi , Yue Hua , Tang Cheng
Published: February 2022

Yak are a unique free-grazing bovine species in high-altitude areas. The objective of this study was to investigate the presence and molecular characteristics of BNoV in yak. A total of 205 diarrheal samples of yak (aged ≤ 3 months) were collected from 10 farms in Sichuan Province, China, from May 2018 to October 2020, and four samples were detected as BNoV-positive with RT-PCR. Moreover, a nearly full-length genome of SMU-YAK-J1 containing three complete ORFs was successfully sequenced. Sequence analysis with only nine genome sequences of the GIII genogroup showed that SMU-YAK-J1 was most closely related with GIII.P2 GIII.4, sharing 90.9% gnomic nucleotide identity, but only shared 71.6–85.9% with other genotypes, which confirmed that SMU-YAK-J1 belongs to genotype GIII.P2 GIII.4. However, compared with the sole genome of GIII.4 in GenBank, the BNoV in this study also exhibited many unique amino acid changes among all the three ORFs, which may represent the unique genetic evolution of BNoV in yak. This study first determined the presence of BNoV in yak, contributing to a better understanding of the prevalence and genetic evolution of BNoV.
Priority Activities in Child and Adolescent Tuberculosis to Close the Policy-Practice Gap in Low- and Middle-Income Countries
Authors: du Preez Karen , Gabardo Betina Mendez Alcântara , Kabra Sushil K. , Triasih Rina , Lestari Trisasi , Kal Margaret , Tsogt Bazarragchaa , Dorj Gantsetseg , Purev Enkhtsetseg , Nguyen Thu Anh , Naidoo Lenny , Mvusi Lindiwe , Schaaf Hendrik Simon , Hesseling Anneke C. , de Oliveira Rossoni Andrea Maciel , Carvalho Anna Cristina Calçada , Cardoso Claudete Aparecida Araújo , Sant’Anna Clemax Couto , Orti Danielle Gomes Dell’ , Costa Fernanda Dockhorn , Vega Liliana Romero , Sant’Anna Maria de Fátima Pombo , Hoa Nguyen Binh , Phuc Phan Huu , Fiogbe Attannon Arnauld , Affolabi Dissou , Badoum Gisèle , Ouédraogo Abdoul Risgou , Saouadogo Tandaogo , Combary Adjima , Kuate Kuate Albert , Prudence Bisso Ngono Annie , Magassouba Aboubakar Sidiki , Bangoura Adama Marie , Soumana Alphazazi , Hermana Georges , Gando Hervé , Fall Nafissatou , Gning Barnabé , Dogo Mohammed Fall , Mbitikon Olivia , Deffense Manon , Zimba Kevin , Chabala Chishala , Sekadde Moorine Penninah , Luzze Henry , Turyahabwe Stavia , Dongo John Paul , Lopes Constantino , dos Santos Milena , Francis Joshua Reginald , Arango-Loboguerrero Magnolia , Perez-Velez Carlos M. , Koura Kobto Ghislain , Graham Stephen M.
Published: February 2022

Over the past 15 years, and despite many difficulties, significant progress has been made to advance child and adolescent tuberculosis (TB) care. Despite increasing availability of safe and effective treatment and prevention options, TB remains a global health priority as a major cause of child and adolescent morbidity and mortality—over one and a half million children and adolescents develop TB each year. A history of the global public health perspective on child and adolescent TB is followed by 12 narratives detailing challenges and progress in 19 TB endemic low and middle-income countries. Overarching challenges include: under-detection and under-reporting of child and adolescent TB; poor implementation and reporting of contact investigation and TB preventive treatment services; the need for health systems strengthening to deliver effective, decentralized services; and lack of integration between TB programs and child health services. The COVID-19 pandemic has had a significant negative impact on case detection and treatment outcomes. Child and adolescent TB working groups can address country-specific challenges to close the policy–practice gaps by developing and supporting decentral ized models of care, strengthening clinical and laboratory diagnosis, including of multidrug-resistant TB, providing recommended options for treatment of disease and infection, and forging strong collaborations across relevant health sectors.
Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease Mpro
Authors: Bassani Davide , Pavan Matteo , Bolcato Giovanni , Sturlese Mattia , Moro Stefano
Published: February 2022

In the latest few decades, molecular docking has imposed itself as one of the most used approaches for computational drug discovery. Several docking benchmarks have been published, comparing the performance of different algorithms in respect to a molecular target of interest, usually evaluating their ability in reproducing the experimental data, which, in most cases, comes from X-ray structures. In this study, we elucidated the variation of the performance of three docking algorithms, namely GOLD, Glide, and PLANTS, in replicating the coordinates of the crystallographic ligands of SARS-CoV-2 main protease (Mpro). Through the comparison of the data coming from docking experiments and the values derived from the calculation of the solvent exposure of the crystallographic ligands, we highlighted the importance of this last variable for docking performance. Indeed, we underlined how an increase in the percentage of the ligand surface exposed to the solvent in a crystallographic complex makes it harder for the docking algorithms to reproduce its conformation. We further validated our hypothesis through molecular dynamics simulations, showing that the less stable protein–ligand complexes (in terms of root-mean-square deviation and root-mean-square fluctuation) tend to be derived from the cases in which the solvent exposure of the ligand in the starting system is higher.
Delivery of Oligonucleotides: Efficiency with Lipid Conjugation and Clinical Outcome
Authors: Tran Phuc , Weldemichael Tsigereda , Liu Zhichao , Li Hong-yu
Published: February 2022

Oligonucleotides have shifted drug discovery into a new paradigm due to their ability to silence the genes and inhibit protein translation. Importantly, they can drug the un-druggable targets from the conventional small-molecule perspective. Unfortunately, poor cellular permeability and susceptibility to nuclease degradation remain as major hurdles for the development of oligonucleotide therapeutic agents. Studies of safe and effective delivery technique with lipid bioconjugates gains attention to resolve these issues. Our review article summarizes the physicochemical effect of well-studied hydrophobic moieties to enhance the cellular entry of oligonucleotides. The structural impacts of fatty acids, cholesterol, tocopherol, and squalene on cellular internalization and membrane penetration in vitro and in vivo were discussed first. The crucial assays for delivery evaluation within this section were analyzed sequentially. Next, we provided a few successful examples of lipid-conjugated oligonucleotides advanced into clinical studies for treating patients with different medical backgrounds. Finally, we pinpointed current limitations and outlooks in this research field along with opportunities to explore new modifications and efficacy studies.
Long-Term Changes in Macrophyte Distribution and Abundance in a Lowland River
Authors: Peternel Andrej , Gaberščik Alenka , Zelnik Igor , Holcar Matej , Germ Mateja
Published: February 2022

The aim of this study was to reveal the changes of macrophyte community over time and along the course of the Ižica River. In 1996, 2000, and 2016, we surveyed the distribution and abundance of macrophyte species in the lowland Ižica River, which originates in the town of Ig and then flows through an agricultural landscape. We calculated the River Macrophyte Index (RMI), which reflects the ecological status of the river. In 2016, ecomorphological conditions of the river, using the Riparian, Channel and Environmental inventory, were also assessed. In just 10.5 km of the river, we identified 27 taxa of macrophytes, among which Potamogeton natans, Sagittaria sagittifolia, and P. perfoliatus were the most abundant. Detrended correspondence analysis showed that, in 1996, the surveyed stretches differed more according to macrophyte composition than in the following years. The assessed environmental parameters explained 43% of the variability of the macrophyte species; riverbank stability explained 20%, riverbed structure 10%, while vegetation type of the riparian zone and bottom type explained 7 and 5%, respectively. The species composition of the macrophyte community revealed significant changes over the years of the riverine ecosystem. Comparison of RMIs in 1996 revealed better conditions in the upper and middle part of the river, while in 2016, the situation was the opposite, since the conditions in the upper part deteriorated significantly over time, while the lower part of the river had the best ecological status. These changes may be due to a considerable increase in the population of the settlement Ig, while better status in the lower course of the river may be a consequence of improvements in the infrastructure and the use of sustainable agricultural practices in the catchment due to the establishment of a formal area of protection.
Phylloplane Biodiversity and Activity in the City at Different Distances from the Traffic Pollution Source
Authors: Ivashchenko Kristina V. , Korneykova Maria V. , Sazonova Olesya I. , Vetrova Anna A. , Ermakova Anastasia O. , Konstantinov Pavel I. , Sotnikova Yulia L. , Soshina Anastasia S. , Vasileva Maria N. , Vasenev Viacheslav I. , Gavrichkova Olga
Published: February 2022

The phylloplane is an integrated part of green infrastructure which interacts with plant health. Taxonomic characterization of the phylloplane with the aim to link it to ecosystem functioning under anthropogenic pressure is not sufficient because only active microorganisms drive biochemical processes. Activity of the phylloplane remains largely overlooked. We aimed to study the interactions among the biological characteristics of the phylloplane: taxonomic diversity, functional diversity and activity, and the pollution grade. Leaves of Betula pendula were sampled in Moscow at increasing distances from the road. For determination of phylloplane activity and functional diversity, a MicroResp tool was utilized. Taxonomic diversity of the phylloplane was assessed with a combination of microorganism cultivation and molecular techniques. Increase of anthropogenic load resulted in higher microbial respiration and lower DNA amount, which could be viewed as relative inefficiency of phylloplane functioning in comparison to less contaminated areas. Taxonomic diversity declined with road vicinity, similar to the functional diversity pattern. The content of Zn in leaf dust better explained the variation in phylloplane activity and the amount of DNA. Functional diversity was linked to variation in nutrient content. The fraction of pathogenic fungi of the phylloplane was not correlated with any of the studied elements, while it was significantly high at the roadsides. The bacterial classes Gammaproteobacteria and Cytophagia, as well as the Dothideomycetes class of fungi, are exposed to the maximal effect of distance from the highway. This study demonstrated the sensitivity of the phylloplane to road vicinity, which combines the effects of contaminants (mainly Zn according to this study) and potential stressful air microclimatic conditions (e.g., low relative air humidity, high temperature, and UV level). Microbial activity and taxonomic diversity of the phylloplane could be considered as an additional tool for bioindication.
Study of the Influence of the Manufacturing Parameters on Tensile Properties of Thermoplastic Elastomers
Authors: Adrover-Monserrat Bàrbara , Llumà Jordi , Jerez-Mesa Ramón , Travieso-Rodriguez J. Antonio
Published: February 2022

Additive manufacturing (AM) has increased its field of application, not only for prototypes but also for final parts. Therefore, the need to study new materials is currently growing. This paper aims to study the effect of the printing parameters used in two different thermoplastic elastomers (PEBA 90A and TPU 98A) subjected to tensile tests, evaluating a competent alternative to the currently most used 3D printed materials. To achieve it, a full factorial design experiment is applied to analyze the influence on the tensile responses of two printing parameters: the layer height and the fill density. In addition, an analysis of variance (ANOVA) is used to describe the relations among the parameters and the mechanical responses obtained. Moreover, assessment of damping properties was done. Results show that each thermoplastic elastomer should be studied separately, although the proposed methodology can be used for each material independently of their nature. Finally, a correlation between the printing parameters and the mechanical behavior of TPU 98A and PEBA 90A was found: the layer height and the infill are statistically influential parameters for both materials.
Shaping Macromolecules for Sensing Applications—From Polymer Hydrogels to Foldamers
Authors: Giuffrida Simone Giuseppe , Forysiak Weronika , Cwynar Pawel , Szweda Roza
Published: February 2022

Sensors are tools for detecting, recognizing, and recording signals from the surrounding environment. They provide measurable information on chemical or physical changes, and thus are widely used in diagnosis, environment monitoring, food quality checks, or process control. Polymers are versatile materials that find a broad range of applications in sensory devices for the biomedical sector and beyond. Sensory materials are expected to exhibit a measurable change of properties in the presence of an analyte or a stimulus, characterized by high sensitivity and selectivity of the signal. Signal parameters can be tuned by material features connected with the restriction of macromolecule shape by crosslinking or folding. Gels are crosslinked, three-dimensional networks that can form cavities of different sizes and forms, which can be adapted to trap particular analytes. A higher level of structural control can be achieved by foldamers, which are macromolecules that can attain well-defined conformation in solution. By increasing control over the three-dimensional structure, we can improve the selectivity of polymer materials, which is one of the crucial requirements for sensors. Here, we discuss various examples of polymer gels and foldamer-based sensor systems. We have classified and described applied polymer materials and used sensing techniques. Finally, we deliberated the necessity and potential of further exploration of the field towards the increased selectivity of sensory devices.
Improving Layer Adhesion of Co-Extruded Polymer Sheets by Inducing Interfacial Flow Instabilities
Authors: Rathner Raffael , Leimhofer Claudia , Roland Wolfgang , Hammer Alexander , Löw-Baselli Bernhard , Steinbichler Georg , Hild Sabine
Published: February 2022

Co-extrusion is commonly used to produce polymer multilayer products with different materials tailoring the property profiles. Adhesion between the individual layers is crucial to the overall performance of the final structure. Layer adhesion is determined by the compatibility of the polymers at the interface and their interaction forces, causing for example the formation of adhesive or chemical bonds or an interdiffusion layer. Additionally, the processing conditions, such as temperature, residence time, cooling rate, and interfacial shear stress, have a major influence on the interactions and hence resulting layer adhesion. Influences of temperature and residence time are already quite well studied, but influence of shear load on the formation of an adhesion layer is less explored and controversially discussed in existing literature. In this work, we investigated the influence of different processing conditions causing various shear loads on layer adhesion for a two-layer co-extruded polymer sheet using a polypropylene and polypropylene talc compound system. Therefore, we varied the flow rates and the flow geometry of the die. Under specific conditions interfacial flow instabilities are triggered that form micro layers in the transition regime between the two layers causing a major increase in layer adhesion. This structure was analyzed using confocal Raman microscopy. Making use of these interfacial flow instabilities in a controlled way enables completely new opportunities and potentials for multi-layer products.
Polysaccharides Used in Biosorbents Preparation for Organic Dyes Retaining from Aqueous Media
Authors: Suteu Daniela , Blaga Alexandra Cristina , Zaharia Carmen , Cimpoesu Ramona , Puițel Adrian Cătălin , Tataru-Farmus Ramona-Elena , Tanasă Alexandra Maria
Published: February 2022

Natural polymers can themselves be efficient as materials with biosorptive properties but can also be used to transform microbial biomass into an easy-to-handle form, respectively, into biosorbents, through immobilization. The article aims to study biosorbents based on residual microbial biomass (Saccharomyces pastorianus yeast, separated after the brewing process by centrifugation and dried at 80 °C) immobilized in sodium alginate. The biosorptive properties of this type of biosorbent (spherical particles 2 and 4 mm in diameter) were studied for removal of reactive dye Brilliant Red HE-3B (with concentration in range of 16.88–174.08 mg/L) from aqueous media. The paper aims at three aspects: (i) the physico-chemical characterization of the biosorbent (Scanning Electron Microscopy (SEM), Energy-dispersive X-ray spectroscopy (EDX) and Fourier Transform Infrared (FTIR) spectra); (ii) the modeling of biosorption data in order to calculate the quantitative characteristic parameters using three equilibrium isotherms (Langmuir, Freundlich, and Dubinin–Radushkevich—DR); and (iii) the evaluation of thermal effect and the possible mechanism of action. The results of the study showed that biosorption capacity evaluated by Langmuir (I) model is 222.22 mg/g (ϕ = 2 mm) and 151.51 mg/g (ϕ = 4 mm) at 30 °C, and the free energy of biosorption (E) is in the range of 8.45–13.608 KJ/mol (from the DR equation). The values of thermodynamic parameters suggested an exothermic process due the negative value of free Gibbs energy (ΔG0 = −9.031 kJ/mol till −3.776 kJ/mol) and enthalpy (about ΔH0 = −87.795 KJ/mol). The obtained results underline our finding that the immobilization in sodium alginate of the residual microbial biomass of Saccharomyces pastorianus led to an efficient biosorbent useful in static operating system in the case of effluents with moderate concentrations of organic dyes.
Stabilization and Anticancer Enhancing Activity of the Peptide Nisin by Cyclodextrin-Based Nanosponges against Colon and Breast Cancer Cells
Authors: Khazaei Monfared Yousef , Mahmoudian Mohammad , Cecone Claudio , Caldera Fabrizio , Zakeri-Milani Parvin , Matencio Adrián , Trotta Francesco
Published: February 2022

The great variability of cancer types demands novel drugs with broad spectrum, this is the case of Nisin, a polycyclic antibacterial peptide that recently has been considered for prevention of cancer cells growth. As an accepted food additive, this drug would be very useful for intestinal cancers, but the peptide nature would make easier its degradation by digestion procedures. For that reason, the aim of present study to investigate the protective effect of two different β-cyclodextrin-based nanosponges (carbonyl diimidazole and pyromellitic dianhydride) and their anti-cancer enhancement effect of Nisin-Z encapsulated with against colon cancer cells (HT-29). To extend its possible use, a comparison with breast (MCF-7) cancer cell was carried out. The physicochemical properties, loading efficiency, and release kinetics of Nisin complex with nanosponges were studied. Then, tricin-SDS-PAGE electrophoresis was used to understand the effect of NSs on stability of Nisin-Z in the presence of gastric peptidase pepsin. In addition, the cytotoxicity and cell membrane damage of Nisin Z were evaluated by using the MTT and LDH assay, which was complemented via Annexin-V/ Propidium Iodide (PI) by using flowcytometry. CD-NS are able to complex Nisin-Z with an encapsulation efficiency around 90%. A protective effect of Nisin-Z complexed with CD-NSs was observed in presence of pepsin. An increase in the percentage of apoptotic cells was observed when the cancer cells were exposed to Nisin Z complexed with nanosponges. Interestingly, Nisin Z free and loaded on PMDA/CDI-NSs is more selectively toxic towards HT-29 cells than MCF-7 cancer cells. These results indicated that nanosponges might be good candidates to protect peptides and deliver drugs against intestinal cancers.
Chemical Stabilization behind Cardamom Pickering Emulsion Using Nanocellulose
Authors: Souza Alana Gabrieli , Ferreira Rafaela Reis , de Oliveira Eder Ramin , Kato Maurício M. , Mitra Sushanta K. , Rosa Derval dos Santos
Published: February 2022

Cardamom essential oil (EO) is a rare oil of high scientific and economic interest due to its biofunctionality. This work aims to stabilize the EO by Pickering emulsions with nanocellulose, in the form of nanocrystals (CNC) or nanofibers (CNF), and to investigate the stability and chemical and physical interactions involved in the process. The emulsions were characterized by droplet size, morphology, stability, surface charges, Fourier transform infrared spectroscopy, FT-Raman, nuclear magnetic resonance, and scanning electron microscopy. Stable emulsions were prepared with cellulose morphologies and CNCs resulted in a 34% creaming index, while CNFs do not show instability. Emulsions indicate a possible interaction between nanocellulose, α-terpinyl acetate, and 1,8-cineole active essential oil compounds, where α-terpinyl acetate would be inside the drop and 1,8-cineole is more available to interact with cellulose. The interaction intensity depended on the morphology, which might be due to the nanocellulose’s self-assembly around oil droplets and influence on oil availability and future application. This work provides a systematic picture of cardamomum derived essential oil Pickering emulsion containing nanocellulose stabilizers’ formation and stability, which can further be extended to other value-added oils and can be an alternative for the delivery of cardamom essential oil for biomedical, food, cosmetics, and other industries.
Chemical Interaction of Cr-Al-Cu Metal Powders in Aluminum-Assisted Transfer of Chromium in Submerged Arc Welding of Carbon Steel
Authors: Coetsee Theresa , De Bruin Frederik
Published: February 2022

In submerged arc welding (SAW) of chromium containing steels, the chromium in the weld metal is usually sourced from weld wire. Manufacturing of precise weld wire compositions for alloying of the weld metal is expensive. In addition, alloying of weld metal with high levels of copper via weld wire is hindered by work hardening of the weld wire. In the SAW process, a large quantity of oxygen is added to the weld pool. Because chromium has a high affinity for oxygen, the oxygen partial pressure at the weld pool-molten flux interface must be controlled to ensure high recovery of chromium to the weld metal. This study illustrates the application of copper as stabilizer, in conjunction with aluminum, to enhance chromium transfer to the weld pool. The stabilizer effect occurs because the Cr-Al-Cu alloy liquidus temperatures are much lower than the pure Cr liquidus temperature. The result is an increase in the total quantity of Cr, Al, and Cu powder melted into the weld pool. The application of Al powder additions to control the partial oxygen pressure at the molten flux-weld pool interface is confirmed in the presence of Cr and Cu metal powders to ensure the weld metal ppm O content is maintained at the acceptable level of 300 ppm.
Reconstructing Paleoflood Occurrence and Magnitude from Lake Sediments
Authors: Wilhelm Bruno , Amann Benjamin , Corella Juan Pablo , Rapuc William , Giguet-Covex Charline , Merz Bruno , Støren Eivind
Published: February 2022

Lake sediments are a valuable archive to document past flood occurrence and magnitude, and their evolution over centuries to millennia. This information has the potential to greatly improve current flood design and risk assessment approaches, which are hampered by the shortness and scarcity of gauge records. For this reason, paleoflood hydrology from lake sediments received fast-growing attention over the last decade. This allowed an extensive development of experience and methodologies and, thereby, the reconstruction of paleoflood series with increasingly higher accuracy. In this review, we provide up-to-date knowledge on flood sedimentary processes and systems, as well as on state-of-the-art methods for reconstructing and interpreting paleoflood records. We also discuss possible perspectives in the field of paleoflood hydrology from lake sediments by highlighting the remaining challenges. This review intends to guide the research interest in documenting past floods from lake sediments. In particular, we offer here guidance supported by the literature in how: to choose the most appropriate lake in a given region, to find the best suited sedimentary environments to take the cores, to identify flood deposits in the sedimentary sequence, to distinguish them from other instantaneous deposits, and finally, to rigorously interpret the flood chronicle thus produced.