bluuebunny/crossref_metadata_2025 huggingface dataset:
Bank Competition Using Networks: A Study on an Emerging Economy
Authors: Rahman Molla Ramizur , Misra Arun Kumar
Published: August 2021

Interconnectedness among banks is a key distinguishing feature of the banking system. It helps mitigate liquidity problems but on the other hand, acts as a curse in propagating systemic risk at times of distress. Thus, as banks cannot function in isolation, this study uses the Contemporary Theory of Networks to examine banking competition in India for five distinct economic phases, emphasizing upon the Global Financial Crisis (GFC) and the ongoing COVID-19 pandemic. This paper proposes a Market Power Network Index (MPNI), which uses network parameters to measure banks’ market power. This network structure shows a formation of bank clusters that are involved in competition. Specifically, network properties, such as centroid, average path length, the distance of a node from the centroid, the total number of connections in the inter-bank market, and network density, do go on to explain banking competition. It is interesting to note that crisis periods witness a lower level of competition, with GFC bearing the least competition. The ongoing COVID-19 pandemic shows a lower trend, but it is of a higher magnitude than GFC. It was also found that big-sized, profitable, capital adequate, and public banks dominate the banking system. Notably, this study was conducted on a sample of 33 listed Indian banks from April 2008 to December 2020.
Theoretical and Experimental Investigation of Warpage Evolution of Flip Chip Package on Packaging during Fabrication
Authors: Cheng Hsien-Chie , Tai Ling-Ching , Liu Yan-Cheng
Published: August 2021

This study attempts to investigate the warpage behavior of a flip chip package-on-package (FCPoP) assembly during fabrication process. A process simulation framework that integrates thermal and mechanical finite element analysis (FEA), effective modeling and ANSYS element death-birth technique is introduced for effectively predicting the process-induced warpage. The mechanical FEA takes into account the viscoelastic behavior and cure shrinkage of the epoxy molding compound. In order to enhance the computational and modeling efficiency and retain the prediction accuracy at the same time, this study proposes a novel effective approach that combines the trace mapping method, rule of mixture and FEA to estimate the effective orthotropic elastic properties of the coreless substrate and core interposer. The study begins with experimental measurement of the temperature-dependent elastic and viscoelastic properties of the components in the assembly, followed by the prediction of the effective elastic properties of the orthotropic interposer and substrate. The predicted effective results are compared against the results of the ROM/analytical estimate and the FEA-based effective approach. Moreover, the warpages obtained from the proposed process simulation framework are validated by the in-line measurement data, and good agreement is presented. Finally, key factors that may influence process-induced warpage are examined via parametric analysis.
Deformation and Phase Transformation of Disordered α Phase in the (α + γ) Two-Phase Region of a High-Nb TiAl Alloy
Authors: Zhou Haitao , Kong Fantao , Wang Yanbo , Hou Xiangwu , Cui Ning , Sun Jingli
Published: August 2021

In this paper, the deformation and phase transformation of disordered α phase in the (α + γ) two-phase region in as-forged Ti-44Al-8Nb-(W, B, Y) alloy were investigated by hot-compression and hot-packed rolling. The detailed microstructural evolution demonstrated that the deformed microstructure was significantly affected by the deformation conditions, and the microstructure differences were mainly due to the use of a lower temperature and strain rate. Finer α grains were formed by the continuous dynamic recrystallization of α lamellae and α grains distributed around lamellar colonies. Moreover, the grooved γ grains formed by the phase transformation from α lamellae during hot rolling cooperated with and decomposed α lamellae. A microstructure evolution model was built for the TiAl alloy at 1250 °C during hot rolling.
Additive Manufacturing of Plastics Used for Protection against COVID19—The Influence of Chemical Disinfection by Alcohol on the Properties of ABS and PETG Polymers
Authors: Grzelak Krzysztof , Łaszcz Julia , Polkowski Jakub , Mastalski Piotr , Kluczyński Janusz , Łuszczek Jakub , Torzewski Janusz , Szachogłuchowicz Ireneusz , Szymaniuk Rafał
Published: August 2021

In this paper, the influence of disinfection on structural and mechanical properties of additive manufactured (AM) parts was analyzed. All AM parts used for a fight against COVID19 were disinfected using available methods—including usage of alcohols, high temperature, ozonation, etc.—which influence on AM parts properties has not been sufficiently analyzed. During this research, three types of materials dedicated for were tested in four different disinfection times and two disinfection liquid concentrations. It has been registered that disinfection liquid penetrated void into material’s volume, which caused an almost 20% decrease in tensile properties in parts manufactured using a glycol-modified version of polyethylene terephthalate (PETG).
Plasma Modification of Carbon Coating Produced by RF CVD on Oxidized NiTi Shape Memory Alloy under Glow-Discharge Conditions
Authors: Witkowska Justyna , Tarnowski Michał , Choińska Emilia , Kulpa Marek , Szade Jacek , Raugh Gerhard , Święszkowski Wojciech , Wierzchoń Tadeusz
Published: August 2021

Our previous work has shown that for cardiac applications, combining low-temperature plasma oxidation with an amorphous carbon coating (a-C:N:H type) constitutes a prospective solution. In this study, a short-term modification by low-temperature oxygen plasma is proposed as an example and a method for shaping the topography and surface energy of the outer amorphous carbon coating, produced via the Radio-Frequency Chemical Vapour Deposition (RFCVD) method on NiTi alloy oxidized under glow-discharge conditions. This treatment alters the chemical composition of the outer zone of the surface layer. A slight increase is also noted in the surface roughness at the nanoscale. The contact angles were shown to increase by about 20% for water and 30% for diiodomethane, while the surface free energy decreased by ca. 11%. The obtained results indicate that even short-term contact with low-temperature plasma can shape the surface properties of the carbon coating, an outcome which shows potential in terms of its use in medical applications.
Lanthanum and Manganese Co-Doping Effects on Structural, Morphological, and Magnetic Properties of Sol-Gel Derived BiFeO3
Authors: Karoblis Dovydas , Diliautas Ramunas , Mazeika Kestutis , Baltrunas Dalis , Niaura Gediminas , Talaikis Martynas , Beganskiene Aldona , Zarkov Aleksej , Kareiva Aivaras
Published: August 2021

In this work, lanthanum and manganese co-substitution effects on different properties of bismuth ferrite solid solutions Bi1-xLaxFe0.85Mn0.15O3 (x from 0 to 1) prepared by a sol-gel synthetic approach have been investigated. It was observed that the structural, morphological, and magnetic properties of obtained specimens are influenced by the amount of introduced La3+ ions. Surprisingly, only the compound with a composition of BiFe0.85Mn0.15O3 was not monophasic, and the presence of neighboring phases was determined from X-ray diffraction analysis and Mössbauer measurements. Structural transitions from orthorhombic to cubic and back to orthorhombic were also observed depending on the La3+ amount. Antiferromagnetic behaviour was observed for all of the samples, with the highest magnetisation values for Bi0.5La0.5Fe0.85Mn0.15O3. Additionally, structural attributes and morphological features were evaluated by Raman spectroscopy and scanning electron microscopy (SEM), respectively.
Analytical and Numerical Modelling of Creep Deformation of Viscoelastic Thick-Walled Cylinder with Fractional Maxwell Model
Authors: Ding Xiang , Chen Na , Zhang Yan , Zhang Fan
Published: August 2021

The deformation of a thick-walled cylinder under pressure is a classic elastic mechanics problem with various engineering applications. In this study, the displacement of a viscoelastic thick-walled cylinder under internal pressure is investigated via analytical as well as numerical modelling. The fractional Maxwell model is initially introduced to describe the creep deformation of high-strength Q460 steel. Subsequently, an analytical solution to the creep deformation of the thick-walled cylinder under both internal and external pressures is deduced with the corresponding principle. The analytical solution is examined with a numerical simulation that incorporates the fractional Maxwell model by a user-defined subroutine. The numerical simulation agrees well with the analytical solution. The limitations of the current study are also discussed.
On-Machine Measurement and Error Compensation for 6061 Aluminum Alloy Hexagonal Punch Using a Turn-Milling Machine
Authors: Kuo Cheng-Hsien , Chen Po-Cheng
Published: August 2021

For machining parts with complex shapes, consisting of computer numerical control (CNC) machine tools, different CNC machine tools will be used according to the machining method. If the workpiece is removed for off-machine measurement after machining, when the size is incorrect, it will need to be returned to the CNC machine tool for secondary machining. In this case, the workpiece surface quality and machining accuracy will be affected, which is very time-consuming. On-machine measurement and complex machine center is a key to solve this problem. In the recent researches that the touch probe was integrated on three or five axis machine for error compensation and shape construction based on on-machine measurement, but turning-milling machine was rare. In addition, the most types of parts were thin-walled parts or thin web parts. In this study, a contact measurement system is integrated into a CNC combined turning-milling machine for on-machine measuring. Macro-programming is used to design the machining path of A6061-T6 aluminum alloy hexagonal punch, and the action of probe measurement is added to the machining path. As the measured data exceed the tolerance range, the calculated data are fed back to the controller for machining improvement by compensation. The finished hexagonal punch is measured in a 3D coordinate measuring machine and the error is compared. The experimental results show that the contact probe needs to be corrected before machining, and the size of the corrected workpiece can reach the tolerance range of ±0.01 mm. The size error of rough machining is larger than that of fined machining, and the size error of rough machining will increase with the length of the workpiece.
Algebraic Analysis of Variants of Multi-State k-out-of-n Systems
Authors: Pascual-Ortigosa Patricia , Sáenz-de-Cabezón Eduardo
Published: August 2021

We apply the algebraic reliability method to the analysis of several variants of multi-state k-out-of-n systems. We describe and use the reliability ideals of multi-state consecutive k-out-of-n systems with and without sparse, and show the results of computer experiments on these kinds of systems. We also give an algebraic analysis of weighted multi-state k-out-of-n systems and show that this provides an efficient algorithms for the computation of their reliability.
Commutative Ideals of BCI-Algebras Using MBJ-Neutrosophic Structures
Authors: Song Seok-Zun , Öztürk Mehmet Ali , Jun Young-Bae
Published: August 2021

As a generalization of a neutrosophic set, the notion of MBJ-neutrosophic sets is introduced by Mohseni Takallo, Borzooei and Jun, and it is applied to BCK/BCI-algebras. In this article, MBJ-neutrosophic set is used to study commutative ideal in BCI-algebras. The concept of closed MBJ-neutrosophic ideal and commutative MBJ-neutrosophic ideal is introduced and their properties and relationships are studied. The conditions for an MBJ-neutrosophic ideal to be a commutative MBJ-neutrosophic ideal are given. The conditions for an MBJ-neutrosophic ideal to be a closed MBJ-neutrosophic ideal are provided. Characterization of a commutative MBJ-neutrosophic ideal is established. Finally, the extension property for a commutative MBJ-neutrosophic ideal is founded.
Modified Operators Interpolating at Endpoints
Authors: Acu Ana Maria , Raşa Ioan , Srivastava Rekha
Published: August 2021

Some classical operators (e.g., Bernstein) preserve the affine functions and consequently interpolate at the endpoints. Other classical operators (e.g., Bernstein–Durrmeyer) have been modified in order to preserve the affine functions. We propose a simpler modification with the effect that the new operators interpolate at endpoints although they do not preserve the affine functions. We investigate the properties of these modified operators and obtain results concerning iterates and their limits, Voronovskaja-type results and estimates of several differences.
A New Algorithm for Computing Disjoint Orthogonal Components in the Parallel Factor Analysis Model with Simulations and Applications to Real-World Data
Authors: Martin-Barreiro Carlos , Ramirez-Figueroa John A. , Cabezas Xavier , Leiva Victor , Martin-Casado Ana , Galindo-Villardón M. Purificación
Published: August 2021

In this paper, we extend the use of disjoint orthogonal components to three-way table analysis with the parallel factor analysis model. Traditional methods, such as scaling, orthogonality constraints, non-negativity constraints, and sparse techniques, do not guarantee that interpretable loading matrices are obtained in this model. We propose a novel heuristic algorithm that allows simple structure loading matrices to be obtained by calculating disjoint orthogonal components. This algorithm is also an alternative approach for solving the well-known degeneracy problem. We carry out computational experiments by utilizing simulated and real-world data to illustrate the benefits of the proposed algorithm.
The Lengths of Certain Real Conjugacy Classes and the Related Prime Graph
Authors: Yang Siqiang , Li Xianhua
Published: August 2021

Let G be a finite group. In this paper, we study how certain arithmetical conditions on the conjugacy class lengths of real elements of G influence the structure of G. In particular, a new type of prime graph is introduced and studied. We obtain a series of theorems which generalize some existed results.
Herpes Infections in Suspected Cases of Yellow Fever in the Democratic Republic of the Congo
Authors: Makiala-Mandanda Sheila , Abbate Jessica L. , Pukuta-Simbu Elisabeth , Ahuka-Mundeke Steve , Muyembe-Tamfum Jean-Jacques , Leroy Eric M. , Becquart Pierre
Published: August 2021

In the battle to quickly identify potential yellow fever arbovirus outbreaks in the Democratic Republic of the Congo, active syndromic surveillance of acute febrile jaundice patients across the country is a powerful tool. However, patients who test negative for yellow fever virus infection are too often left without a diagnosis. By retroactively screening samples for other potential viral infections, we can both try to find sources of patient disease and gain information on how commonly they may occur and co-occur. Several human arboviruses have previously been identified, but there remain many other viral families that could be responsible for acute febrile jaundice. Here, we assessed the prevalence of human herpes viruses (HHVs) in these acute febrile jaundice disease samples. Total viral DNA was extracted from serum of 451 patients with acute febrile jaundice. We used real-time quantitative PCR to test all specimens for cytomegalovirus (CMV), herpes simplex virus (HSV), human herpes virus type 6 (HHV-6) and varicella-zoster virus (VZV). We found 21.3% had active HHV replication (13.1%, 2.4%, 6.2% and 2.4% were positive for CMV, HSV, HHV-6 and VZV, respectively), and that nearly half (45.8%) of these infections were characterized by co-infection either among HHVs or between HHVs and other viral infection, sometimes associated with acute febrile jaundice previously identified. Our results show that the role of HHV primary infection or reactivation in contributing to acute febrile jaundice disease identified through the yellow fever surveillance program should be routinely considered in diagnosing these patients.
Untargeted Metabolomics for the Diagnosis of Exocrine Pancreatic Insufficiency in Chronic Pancreatitis
Authors: Díaz Caridad , Jiménez-Luna Cristina , Diéguez-Castillo Carmelo , Martín Ariadna , Prados José , Martín-Ruíz José Luis , Genilloud Olga , Vicente Francisca , Pérez del Palacio José Pérez del , Caba Octavio
Published: August 2021

Background and Objectives: The clinical manifestations and course of chronic pancreatitis (CP) are often nonspecific and variable, hampering diagnosis of the risk of exocrine pancreatic insufficiency (EPI). Development of new, reproducible, and non-invasive methods to diagnose EPI is therefore a major priority. The objective of this metabolomic study was to identify novel biomarkers associated with EPI. Materials and Methods: We analyzed 53 samples from patients with CP, 32 with and 21 without EPI, using an untargeted metabolomics workflow based on hydrophilic interaction chromatography coupled to high-resolution mass spectrometry. Principal component and partial least squares-discriminant analyses showed significant between-group differentiation, and univariate and multivariate analyses identified potential candidate metabolites that significantly differed between samples from CP patients with EPI and those without EPI. Results: Excellent results were obtained using a six-metabolic panel to diagnose the presence of EPI in CP patients (area under the ROC curve = 0.785). Conclusions: This study confirms the usefulness of metabolomics in this disease setting, allowing the identification of novel biomarkers to differentiate between the presence and absence of EPI in CP patients.
Probiotic Endophytes for More Sustainable Banana Production
Authors: Beltran-Garcia Miguel J. , Martinez-Rodriguez America , Olmos-Arriaga Ileana , Valdez-Salas Benjamin , Chavez-Castrillon Yur Y. , Di Mascio Paolo , White James F.
Published: August 2021

Climatic factors and pathogenic fungi threaten global banana production. Moreover, bananas are being cultivated using excessive amendments of nitrogen and pesticides, which shift the microbial diversity in plants and soil. Advances in high-throughput sequencing (HTS) technologies and culture-dependent methods have provided valuable information about microbial diversity and functionality of plant-associated endophytic communities. Under stressful (biotic or abiotic) conditions, plants can recruit sets of microorganisms to alleviate specific potentially detrimental effects, a phenomenon known as “cry for help”. This mechanism is likely initiated in banana plants infected by Fusarium wilt pathogen. Recently, reports demonstrated the synergistic and cumulative effects of synthetic microbial communities (SynComs) on naturally occurring plant microbiomes. Indeed, probiotic SynComs have been shown to increase plant resilience against biotic and abiotic stresses and promote growth. This review focuses on endophytic bacterial diversity and keystone taxa of banana plants. We also discuss the prospects of creating SynComs composed of endophytic bacteria that could enhance the production and sustainability of Cavendish bananas (Musa acuminata AAA), the fourth most important crop for maintaining global food security.
Biorefinery Concept Employing Bacillus coagulans: LX-Lignin and L-(+)-Lactic Acid from Lignocellulose
Authors: Schroedter Linda , Streffer Friedrich , Streffer Katrin , Unger Peter , Venus Joachim
Published: August 2021

A new biorefinery concept is proposed that integrates the novel LX-Pretreatment with the fermentative production of L-(+)-lactic acid. Lignocellulose was chosen as a substrate that does not compete with the provision of food or feed. Furthermore, it contains lignin, a promising new chemical building material which is the largest renewable source for aromatic compounds. Two substrates were investigated: rye straw (RS) as a residue from agriculture, as well as the fibrous digestate of an anaerobic biogas plant operated with energy corn (DCS). Besides the prior production of biogas from energy corn, chemically exploitable LX-Lignin was produced from both sources, creating a product with a low carbohydrate and ash content (90.3% and 88.2% of acid insoluble lignin). Regarding the cellulose fraction of the biomass, enzymatic hydrolysis and fermentation experiments were conducted, comparing a separate (SHF), simultaneous (SSF) and prehydrolyzed simultaneous saccharification and fermentation (PSSF) approach. For this purpose, thermophilic B. coagulans 14-300 was utilized, reaching 38.0 g L−1 LA in 32 h SSF from pretreated RS and 18.3 g L−1 LA in 30 h PSSF from pretreated DCS with optical purities of 99%.
Presence of Human Pathogens of the Borrelia burgdorferi sensu lato Complex Shifts the Sequence Read Abundances of Tick Microbiomes in Two German Locations
Authors: Hoffmann Angeline , Müller Thomas , Fingerle Volker , Noll Matthias
Published: August 2021

The distribution of human Lyme borreliosis (LB) is assumed random in Germany, indicating that the human pathogenic species of the Borrelia burgdorferi sensu lato complex (Bb) are similarly distributed as part of the tick microbiome. The aim of this study was to differentiate if the presence of Bb occurs with a defined tick microbiome composition. Furthermore, the effect of location on tick microbiome composition was addressed for two German locations. Therefore, nucleic acid extracts from 82 Borrelia-positive and 118 Borrelia-negative Ixodes ricinus ticks sampled from human hosts in both districts were selected. Nucleic acid extracts were used for human pathogenic Bb species diagnostics based on qPCR and multilocus sequence typing (MLST) and bacterial 16S rRNA gene amplicon sequencing followed by network analyses. As a result, the presence of Bb shifted the sequence read abundances of Candidatus Midichloria, Rickettsia, Pseudomonas, Staphylococcus, and Candidatus Neoehrlichia and their topological roles in the tick microbiome. Moreover, the location was less important in the tick microbiome composition but shifted significantly sequence read abundances of Pseudomonas and Wolbachia as well as the topological role of microbial members. Since the presence of human pathogenic Bb species with other tick-associated pathogens varies regionally, we suggest that a bacterial 16S rRNA gene-based microbiome survey should be implemented in the routine diagnostics for both tick and host if human pathogenic species of Bb were detected. This diagnostic extension will help to optimize therapeutic approaches against Bb infection and co-occurring pathogens.
Coumarins as Tool Compounds to Aid the Discovery of Selective Function Modulators of Steroid Hormone Binding Proteins
Authors: Niinivehmas Sanna , Pentikäinen Olli
Published: August 2021

Steroid hormones play an essential role in a wide variety of actions in the body, such as in metabolism, inflammation, initiating and maintaining sexual differentiation and reproduction, immune functions, and stress response. Androgen, aromatase, and sulfatase pathway enzymes and nuclear receptors are responsible for steroid biosynthesis and sensing steroid hormones. Changes in steroid homeostasis are associated with many endocrine diseases. Thus, the discovery and development of novel drug candidates require a detailed understanding of the small molecule structure–activity relationship with enzymes and receptors participating in steroid hormone synthesis, signaling, and metabolism. Here, we show that simple coumarin derivatives can be employed to build cost-efficiently a set of molecules that derive essential features that enable easy discovery of selective and high-affinity molecules to target proteins. In addition, these compounds are also potent tool molecules to study the metabolism of any small molecule.
Abietane Diterpenoids from the Hairy Roots of Salvia corrugata
Authors: Kentsop Roméo Arago Dougué , Iobbi Valeria , Donadio Giuliana , Ruffoni Barbara , De Tommasi Nunziatina , Bisio Angela
Published: August 2021

Salvia corrugata Vahl. is an interesting source of abietane and abeo-abietane compounds that showed antibacterial, antitumor, and cytotoxic activities. The aim of the study was to obtain transformed roots of S. corrugata and to evaluate the production of terpenoids in comparison with in vivo root production. Hairy roots were initiated from leaf explants by infection with ATCC 15834 Agrobacterium rhizogenes onto hormone-free Murashige and Skoog (MS) solid medium. Transformation was confirmed by polymerase chain reaction analysis of rolC and virC1 genes. The biomass production was obtained in hormone-free liquid MS medium using Temporary Immersion System bioreactor RITA®. The chromatographic separation of the methanolic extract of the untransformed roots afforded horminone, ferruginol, 7-O-acetylhorminone and 7-O-methylhorminone. Agastol and ferruginol were isolated and quantified from the hairy roots. The amount of these metabolites indicated that the hairy roots of S. corrugata can be considered a source of these compounds.
Enhancement of Activity and Development of Low Pt Content Electrocatalysts for Oxygen Reduction Reaction in Acid Media
Authors: Kostuch Aldona , Rutkowska Iwona A. , Dembinska Beata , Wadas Anna , Negro Enrico , Vezzù Keti , Di Noto Vito , Kulesza Pawel J.
Published: August 2021

Platinum is a main catalyst for the electroreduction of oxygen, a reaction of primary importance to the technology of low-temperature fuel cells. Due to the high cost of platinum, there is a need to significantly lower its loadings at interfaces. However, then O2-reduction often proceeds at a less positive potential, and produces higher amounts of undesirable H2O2-intermediate. Hybrid supports, which utilize metal oxides (e.g., CeO2, WO3, Ta2O5, Nb2O5, and ZrO2), stabilize Pt and carbon nanostructures and diminish their corrosion while exhibiting high activity toward the four-electron (most efficient) reduction in oxygen. Porosity of carbon supports facilitates dispersion and stability of Pt nanoparticles. Alternatively, the Pt-based bi- and multi-metallic catalysts, including PtM alloys or M-core/Pt-shell nanostructures, where M stands for certain transition metals (e.g., Au, Co, Cu, Ni, and Fe), can be considered. The catalytic efficiency depends on geometric (decrease in Pt–Pt bond distances) and electronic (increase in d-electron vacancy in Pt) factors, in addition to possible metal–support interactions and interfacial structural changes affecting adsorption and activation of O2-molecules. Despite the stabilization of carbons, doping with heteroatoms, such as sulfur, nitrogen, phosphorus, and boron results in the formation of catalytically active centers. Thus, the useful catalysts are likely to be multi-component and multi-functional.
Effects of Combination Treatments with Astaxanthin-Loaded Microparticles and Pentoxifylline on Intracellular ROS and Radiosensitivity of J774A.1 Macrophages
Authors: Binatti Eleonora , Zoccatelli Gianni , Zanoni Francesca , Donà Giulia , Mainente Federica , Chignola Roberto
Published: August 2021

Radiation-induced fibrosis (RIF) is a serious, yet incurable, complication of external beam radiation therapy for the treatment of cancer. Macrophages are key cellular actors in RIF because of their ability to produce reactive oxidants, such as reactive oxygen species (ROS) and inflammatory cytokines that, in turn, are the drivers of pro-fibrotic pathways. In a previous work, we showed that phagocytosis could be exploited to deliver the potent natural antioxidant astaxanthin specifically to macrophages. For this purpose, astaxanthin encapsulated into µm-sized protein particles could specifically target macrophages that can uptake the particles by phagocytosis. In these cells, astaxanthin microparticles significantly reduced intracellular ROS levels and the secretion of bioactive TGFβ and increased cell survival after radiation treatments. Here we show that pentoxifylline, a drug currently used for the treatment of muscle pain resulting from peripheral artery disease, amplifies the effects of astaxanthin microparticles on J774A.1 macrophages. Combination treatments with pentoxifylline and encapsulated astaxanthin might reduce the risk of RIF in cancer patients.
Insights into Conformational Dynamics and Allostery in DNMT1-H3Ub/USP7 Interactions
Authors: Zhu Yu , Ye Fei , Zhou Ziyun , Liu Wanlin , Liang Zhongjie , Hu Guang
Published: August 2021

DNA methyltransferases (DNMTs) including DNMT1 are a conserved family of cytosine methylases that play crucial roles in epigenetic regulation. The versatile functions of DNMT1 rely on allosteric networks between its different interacting partners, emerging as novel therapeutic targets. In this work, based on the modeling structures of DNMT1-ubiquitylated H3 (H3Ub)/ubiquitin specific peptidase 7 (USP7) complexes, we have used a combination of elastic network models, molecular dynamics simulations, structural residue perturbation, network modeling, and pocket pathway analysis to examine their molecular mechanisms of allosteric regulation. The comparative intrinsic and conformational dynamics analysis of three DNMT1 systems has highlighted the pivotal role of the RFTS domain as the dynamics hub in both intra- and inter-molecular interactions. The site perturbation and network modeling approaches have revealed the different and more complex allosteric interaction landscape in both DNMT1 complexes, involving the events caused by mutational hotspots and post-translation modification sites through protein-protein interactions (PPIs). Furthermore, communication pathway analysis and pocket detection have provided new mechanistic insights into molecular mechanisms underlying quaternary structures of DNMT1 complexes, suggesting potential targeting pockets for PPI-based allosteric drug design.
Structure and Properties of Electrochemically Synthesized Silver Nanoparticles in Aqueous Solution by High-Resolution Techniques
Authors: Gasbarri Carla , Ronci Maurizio , Aceto Antonio , Vasani Roshan , Iezzi Gianluca , Florio Tullio , Barbieri Federica , Angelini Guido , Scotti Luca
Published: August 2021

The aim of this work was to deeply investigate the structure and properties of electrochemically synthesized silver nanoparticles (AgNPs) through high-resolution techniques such as transmission electron microscopy (TEM), scanning electron microscopy (SEM), Zeta Potential measurements, and matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS). Strong brightness, tendency to generate nanoclusters containing an odd number of atoms, and absence of the free silver ions in solution were observed. The research also highlighted that the chemical and physical properties of the AgNPs seemed to be related to their peculiar oxidative state as suggested by X-ray photoelectron spectroscopy (XPS) and X-ray powder diffraction (XRPD) analyses. Finally, the MTT assay tested the low cytotoxicity of the investigated AgNPs.
Ultrasound-Assisted Microencapsulation of Soybean Oil and Vitamin D Using Bare Glycogen Nanoparticles
Authors: Cimino Rita , Bhangu Sukhvir Kaur , Baral Anshul , Ashokkumar Muthupandian , Cavalieri Francesca
Published: August 2021

Ultrasonically synthesized core-shell microcapsules can be made of synthetic polymers or natural biopolymers, such as proteins and polysaccharides, and have found applications in food, drug delivery and cosmetics. This study reports on the ultrasonic synthesis of microcapsules using unmodified (natural) and biodegradable glycogen nanoparticles derived from various sources, such as rabbit and bovine liver, oyster and sweet corn, for the encapsulation of soybean oil and vitamin D. Depending on their source, glycogen nanoparticles exhibited differences in size and ‘bound’ proteins. We optimized various synthetic parameters, such as ultrasonic power, time and concentration of glycogens and the oil phase to obtain stable core-shell microcapsules. Particularly, under ultrasound-induced emulsification conditions (sonication time 45 s and sonication power 160 W), native glycogens formed microcapsules with diameter between 0.3 μm and 8 μm. It was found that the size of glycogen as well as the protein component play an important role in stabilizing the Pickering emulsion and the microcapsules shell. This study highlights that native glycogen nanoparticles without any further tedious chemical modification steps can be successfully used for the encapsulation of nutrients.
Distribution of Triterpenoids and Steroids in Developing Rugosa Rose (Rosarugosa Thunb.) Accessory Fruit
Authors: Dashbaldan Soyol , Rogowska Agata , Pączkowski Cezary , Szakiel Anna
Published: August 2021

Triterpenoids and steroids are considered to be important for the fruit quality and health-promoting properties for the consumers. The aim of the study was the determination of the changes in triterpenoid and steroid biosynthesis and the accumulation in hypanthium and achenes of rugosa rose (Rosa rugosa Thunb.) hip during fruit development and ripening at three different phenological stages (young fruits, fully developed unripe fruits, and matured fruits). Triterpenoids and steroids were also determined in the peel and the pulp of the matured hips. The obtained results indicated that the distribution of the analyzed compounds in different fruit tissues is a selective process. The increased rate of hydroxylation of triterpenoids, the deposition of hydroxylated acids in fruit surface layer, and the continuous biosynthesis of phytosterols in achenes versus its gradual repression in hypanthium accompanied by the accumulation of their biosynthetic intermediates and ketone derivatives seem to be characteristic metabolic features of maturation of rugosa rose accessory fruit. These observations, apart from providing the important data on metabolic modifications occurring in developing fruits, might have a practical application in defining fruit parts, particularly rich in bioactive constituents, to enable the development of novel functional products.
Induction of G2/M Cell Cycle Arrest via p38/p21Waf1/Cip1-Dependent Signaling Pathway Activation by Bavachinin in Non-Small-Cell Lung Cancer Cells
Authors: Pai Jih-Tung , Hsu Ming-Wei , Leu Yann-Lii , Chang Kuo-Ting , Weng Meng-Shih
Published: August 2021

Lung cancer is the most commonly diagnosed malignant cancer in the world. Non-small-cell lung cancer (NSCLC) is the major category of lung cancer. Although effective therapies have been administered, for improving the NSCLC patient’s survival, the incident rate is still high. Therefore, searching for a good strategy for preventing NSCLC is urgent. Traditional Chinese medicine (TCM) are brilliant materials for cancer chemoprevention, because of their high biological safety and low cost. Bavachinin, which is an active flavanone of Proralea corylifolia L., possesses anti-inflammation, anti-angiogenesis, and anti-cancer activities. The present study’s aim was to evaluate the anti-cancer activity of bavachinin on NSCLC, and its regulating molecular mechanisms. The results exhibited that a dose-dependent decrease in the cell viability and colony formation capacity of three NSCLC cell lines, by bavachinin, were through G2/M cell cycle arrest induction. Meanwhile, the expression of the G2/M cell cycle regulators, such as cyclin B, p-cdc2Y15, p-cdc2T161, and p-wee1, was suppressed. With the dramatic up-regulation of the cyclin-dependent kinase inhibitor, p21Waf1/Cip1, the expression and association of p21Waf1/Cip1 with the cyclin B/cdc2 complex was observed. Silencing the p21Waf1/Cip1 expression significantly rescued bavachinin-induced G2/M cell accumulation. Furthermore, the expression of p21Waf1/Cip1 mRNA was up-regulated in bavachinin-treated NSCLC cells. In addition, MAPK and AKT signaling were activated in bavachinin-added NSCLC cells. Interestingly, bavachinin-induced p21Waf1/Cip1 expression was repressed after restraint p38 MAPK activation. The inhibition of p38 MAPK activation reversed bavachinin-induced p21Waf1/Cip1 mRNA expression and G2/M cell cycle arrest. Collectively, bavachinin-induced G2/M cell cycle arrest was through the p38 MAPK-mediated p21Waf1/Cip1-dependent signaling pathway in the NSCLC cells.
Seven Conformations of the Macrocycle Cyclododecanone Unveiled by Microwave Spectroscopy
Authors: Burevschi Ecaterina , Sanz M. Eugenia
Published: August 2021

The physicochemical properties and reactivity of macrocycles are critically shaped by their conformations. In this work, we have identified seven conformations of the macrocyclic ketone cyclododecanone using chirped-pulse Fourier transform microwave spectroscopy in combination with ab initio and density functional theory calculations. Cyclododecanone is strongly biased towards adopting a square configuration of the heavy atom framework featuring three C–C bonds per side. The substitution and effective structures of this conformation have been determined through the observation of its 13C isotopologues. The minimisation of transannular interactions and, to a lesser extent, HCCH eclipsed configurations drive conformational preferences. Our results contribute to a better understanding of the intrinsic forces mediating structural choices in macrocycles.
A Highly Efficient Environmental-Friendly Adsorbent Based on Schiff Base for Removal of Cu(II) from Aqueous Solutions: A Combined Experimental and Theoretical Study
Authors: Tighadouini Said , Roby Othmane , Radi Smaail , Lakbaibi Zouhair , Saddik Rafik , Mabkhot Yahia N. , Almarhoon Zainab M. , Garcia Yann
Published: August 2021

Removal of heavy metals from drinking water sources and rivers is of strategic health importance and is essential for sustainable ecosystem development, in particular in polluted areas around the globe. In this work, new hybrid inorganic-organic material adsorbents made of ortho- (Si-o-OR) or para-Schiff base silica (Si-p-OR) were synthesized and characterized in depth. These hybrid adsorbents show a high selectivity to Cu(II), even in the presence of competing heavy metals (Zn(II), Cd(II), and Pb(II)), and also demonstrate great reusability after five adsorption-desorption cycles. Maximum sorption capacity for Cu(II) was found for Si-o-OR (79.36 mg g−1) and Si-p-OR (36.20 mg g−1) in no less than 25 min. Energy dispersive X-ray fluorescence and Fourier transform-infrared spectroscopy studies demonstrate that this uptake occurs due to a chelating effect, which allows these adsorbents to trap Cu(II) ions on their surfaces; this result is supported by a theoretical study for Si-o-OR. The new adsorbents were tested against real water samples extracted from two rivers from the Oriental region of Morocco.
A New Biotechnology Method of Bioelements’ Accumulation Monitoring in In Vitro Culture of Agaricus bisporus
Authors: Krakowska Agata , Reczyński Witold , Krakowski Tomasz , Szewczyk Karolina , Opoka Włodzimierz , Muszyńska Bożena
Published: August 2021

Agaricus bisporus (J.E. Lange) Imbach is one the most popular species of edible mushrooms in the world because of its taste and nutritional properties. In the research, repeatability of accumulation of bioelements and biomass yield in experimentally chosen in vitro culture medium, was confirmed. The in vitro cultures were conducted on the modified Oddoux medium enriched with bioelements (Mg, Zn, Cu, Fe). The aim of the study was to create an effective method of sampling, which enabled non-invasive monitoring of metals concentrations changes in the medium, during increase of biomass in in vitro cultures. The first, indirect method of sampling was applied. The non-invasive probe (a dipper) for in vitro culture was used; hence, the highest biomass increase and metals accumulation were gained. The method also guaranteed culture sterility. The second method, a direct one, interfered the in vitro culture conditions and growth of mycelium, and as a consequence the lower biomass increase and metals’ accumulation were observed. Few cases of contaminations of mycelium in in vitro cultures were observed. The proposed method of non-invasive sampling of the medium can be used to monitor changes in the concentrations of metals in the medium and their accumulation in the mycelium in natural environment. Changes in concentrations of the selected metals over time, determined by the method of atomic absorption spectrometry, made it possible to correlate the obtained results with the specific stages of A. bisporus mycelium development and to attempt to explain the mechanism of sampling metals from the liquid substrate.
The Coffee Diterpene, Kahweol, Ameliorates Pancreatic β-Cell Function in Streptozotocin (STZ)-Treated Rat INS-1 Cells through NF-kB and p-AKT/Bcl-2 Pathways
Authors: El-Huneidi Waseem , Anjum Shabana , Bajbouj Khuloud , Abu-Gharbieh Eman , Taneera Jalal
Published: August 2021

Kahweol is a diterpene molecule found in coffee that exhibits a wide range of biological activity, including anti-inflammatory and anticancer properties. However, the impact of kahweol on pancreatic β-cells is not known. Herein, by using clonal rat INS-1 (832/13) cells, we performed several functional experiments including; cell viability, apoptosis analysis, insulin secretion and glucose uptake measurements, reactive oxygen species (ROS) production, as well as western blotting analysis to investigate the potential role of kahweol pre-treatment on damage induced by streptozotocin (STZ) treatment. INS-1 cells pre-incubated with different concentrations of kahweol (2.5 and 5 µM) for 24 h, then exposed to STZ (3 mmol/L) for 3 h reversed the STZ-induced effect on cell viability, apoptosis, insulin content, and secretion in addition to glucose uptake and ROS production. Furthermore, Western blot analysis showed that kahweol downregulated STZ-induced nuclear factor kappa B (NF-κB), and the antioxidant proteins, Heme Oxygenase-1 (HMOX-1), and Inhibitor of DNA binding and cell differentiation (Id) proteins (ID1, ID3) while upregulated protein expression of insulin (INS), p-AKT and B-cell lymphoma 2 (BCL-2). In conclusion, our study suggested that kahweol has anti-diabetic properties on pancreatic β-cells by suppressing STZ induced apoptosis, increasing insulin secretion and glucose uptake. Targeting NF-κB, p-AKT, and BCL-2 in addition to antioxidant proteins ID1, ID3, and HMOX-1 are possible implicated mechanisms.
Penetration and Displacement Behavior of N2 in Porous Interlayer Structures Containing Water/Salt Component by Molecular Dynamics Simulation
Authors: Jiang Zhibin , Sima Liqiang , Qi Lisha , Wang Xiaoguang , Wang Jie , Leng Zhenpeng , Zhao Tianpeng
Published: August 2021

The penetration and displacement behavior of N2 molecules in porous interlayer structures containing a water/salt component with porosities of 4.29%, 4.73%, 5.17%, 7.22%, and 11.38% were explored using molecular dynamics simulations. The results demonstrated that the large porosity of the interlayer structures effectively enhanced the permeation and diffusion characteristics of N2. The water and salt in the interlayer structures were displaced during the injection of N2 in the porosity sequence of 4.29% < 4.73% < 5.17% < 7.22% < 11.38%. The high permeance of 7.12 × 10−6 indicated that the interlayer structures with a porosity of 11.38% have better movability. The strong interaction of approximately 15 kcal/mol between N2 and H2O had a positive effect on the diffusion of N2 and the displacement of H2O before it reached a stable equilibrium state. The distribution of N2 in porous interlayer structures and the relationship between the logarithm of permeability and breakthrough pressure were presented. This work highlighted the effects of porosity on the permeability and diffusion of N2/H2O in the interlayer, thus providing theoretical guidance for the development of petroleum resources.
Synthesis, Characterization, and Reaction Studies of Pd(II) Tripeptide Complexes
Authors: Monger Lindsey J. , Razinkov Dmitrii , Bjornsson Ragnar , Suman Sigridur G.
Published: August 2021

The aqueous synthesis of Pd(II) complexes with alkylated tripeptides led to the hydrolysis of the peptides at low pH values and mixtures of complexed peptides were formed. A non-aqueous synthetic route allowed the formation and isolation of single products and their characterization. Pd(II) complexes with α-Asp(OR)AlaGly(OR), β-Asp(OR)AlaGly(OR), and TrpAlaGly(OR) (R = H or alkyl) as tri and tetradentate chelates were characterized. The tridentate coordination mode was accompanied by a fourth monodentate ligand that was shown to participate in both ligand exchange reactions and a direct removal to form the tetradentate coordination mode. The tetradentate coordination revealed a rare a hemi labile carbonyl goup coordination mode to Pd(II). Reactivity with small molecules such as ethylene, acids, formate, and episulfide was investigated. Under acidic conditions and in the presence of ethylene; acetaldehyde was formed. The Pd(II) is a soft Lewis acid and thiophilic and the complexes abstract sulfur from episulfide at apparent modest catalytic rates. The complexes adopt a square planar geometry according to a spectroscopic analysis and DFT calculations that were employed to evaluate the most energetically favorable coordination geometry and compared with the observed infrared and NMR data.
Synthetic Strategies of Pyrimidine-Based Scaffolds as Aurora Kinase and Polo-like Kinase Inhibitors
Authors: Jadhav Mrunal , Sankhe Kaksha , Bhandare Richie R. , Edis Zehra , Bloukh Samir Haj , Khan Tabassum Asif
Published: August 2021

The past few decades have witnessed significant progress in anticancer drug discovery. Small molecules containing heterocyclic moieties have attracted considerable interest for designing new antitumor agents. Of these, the pyrimidine ring system is found in multitude of drug structures, and being the building unit of DNA and RNA makes it an attractive scaffold for the design and development of anticancer drugs. Currently, 22 pyrimidine-containing entities are approved for clinical use as anticancer drugs by the FDA. An exhaustive literature search indicates several publications and more than 59 patents from the year 2009 onwards on pyrimidine derivatives exhibiting potent antiproliferative activity. These pyrimidine derivatives exert their activity via diverse mechanisms, one of them being inhibition of protein kinases. Aurora kinase (AURK) and polo-like kinase (PLK) are protein kinases involved in the regulation of the cell cycle. Within the numerous pyrimidine-based small molecules developed as anticancer agents, this review focuses on the pyrimidine fused heterocyclic compounds modulating the AURK and PLK proteins in different phases of clinical trials as anticancer agents. This article aims to provide a comprehensive overview of synthetic strategies for the preparation of pyrimidine derivatives and their associated biological activity on AURK/PLK. It will also present an overview of the synthesis of the heterocyclic-2-aminopyrimidine, 4-aminopyrimidine and 2,4-diaminopyrimidine scaffolds, and one of the pharmacophores in AURK/PLK inhibitors is described systematically.