bluuebunny/crossref_metadata_2025 huggingface dataset:
Membrane Transporters in Citrus clementina Fruit Juice-Derived Nanovesicles
Authors: Stanly Christopher , Moubarak Maneea , Fiume Immacolata , Turiák Lilla , Pocsfalvi Gabriella
Published: December 2019

The cellular vesicle is a fluid-filled structure separated from the surrounding environment by a biological membrane. Here, we isolated nanovesicles (NVs) from the juice of clementines using a discontinuous density gradient ultracentrifugation method. To gain information about the protein content of vesicles, mass spectrometry-based organelle proteomics and bioinformatics were applied to the exosome-like vesicle fraction isolated in the 1 mol/L sucrose/D2O cushion. Analysis of 1018 identified proteins revealed a highly complex mixture of different intra, extracellular and artificially-formed vesicle populations. In particular, clathrin-coated vesicles were significantly expressed in this sample. Membrane transporters are significantly represented in clementines nanovesicles. We have found 162 proteins associated with the transport Gene Ontology term (GO: 0006810) which includes; 71 transmembrane transport related, 53 vesicle mediated and 50 intracellular transporters. Platellin-3 like carrier protein containing a Sec14 domain is known to have a role in plant-virus interaction and that is one of the most abundant proteins in our dataset. The presence of transmembrane transporters like ATPases, aquaporins, ATP Binding Cassette (ABC) transporters and tetraspanins, regulators of protein trafficking suggests that nanovesicles of clementines can actively interact with their environment in a controlled way.
Cell-Electrospinning and Its Application for Tissue Engineering
Authors: Hong Jiyoung , Yeo Miji , Yang Gi Hoon , Kim GeunHyung
Published: December 2019

Electrospinning has gained great interest in the field of regenerative medicine, due to its fabrication of a native extracellular matrix-mimicking environment. The micro/nanofibers generated through this process provide cell-friendly surroundings which promote cellular activities. Despite these benefits of electrospinning, a process was introduced to overcome the limitations of electrospinning. Cell-electrospinning is based on the basic process of electrospinning for producing viable cells encapsulated in the micro/nanofibers. In this review, the process of cell-electrospinning and the materials used in this process will be discussed. This review will also discuss the applications of cell-electrospun structures in tissue engineering. Finally, the advantages, limitations, and future perspectives will be discussed.
A Novel, Tumor-Induced Osteoclastogenesis Pathway Insensitive to Denosumab but Interfered by Cannabidiol
Authors: Tsuchiya Maiko , Kayamori Kou , Wada Akane , Komaki Motohiro , Ohata Yae , Hamagaki Miwako , Sakamoto Kei , Ikeda Tohru
Published: December 2019

Bone metabolism is strictly regulated, and impaired regulation caused by hormonal imbalances induces systemic bone loss. Local bone loss caused by tumor invasion into bone is suggested to be induced by the generation of cytokines, which affect bone metabolism, by tumor cells. The major cause of systemic and local bone losses is excess bone resorption by osteoclasts, which differentiate from macrophages by receptor activator of nuclear factor kappa-B ligand (RANKL) or tumor necrosis factor-alpha (TNF-α). We previously found a novel pathway for tumor-induced osteoclastogenesis targeting osteoclast precursor cells (OPCs). Tumor-induced osteoclastogenesis was resistant to RANKL and TNF-α inhibitors. In the present study, we confirmed that exosomes derived from oral squamous cell carcinoma (OSCC) cells induced osteoclasts from OPCs. We also showed that the depletion of exosomes from culture supernatants of OSCC cells partially interfered with osteoclastogenesis, and cannabidiol, an innoxious cannabinoid without psychotropic effects, almost completely suppressed tumor-induced osteoclastogenesis. Osteoclastogenesis and its interference by cannabidiol were independent of the expression of nuclear factor of T cell c1 (NFATc1). These results show that osteoclastogenesis induced by OSCC cells targeting OPCs is a novel osteoclastogenic pathway independent of NFATc1 expression that is partially caused by tumor-derived exosomes and suppressed by cannabidiol.
Staggered Herringbone Microfluid Device for the Manufacturing of Chitosan/TPP Nanoparticles: Systematic Optimization and Preliminary Biological Evaluation
Authors: Chiesa Enrica , Greco Antonietta , Riva Federica , Tosca Elena Maria , Dorati Rossella , Pisani Silvia , Modena Tiziana , Conti Bice , Genta Ida
Published: December 2019

Chitosan nanoparticles (CS NPs) showed promising results in drug, vaccine and gene delivery for the treatment of various diseases. The considerable attention towards CS was owning to its outstanding biological properties, however, the main challenge in the application of CS NPs was faced during their size-controlled synthesis. Herein, ionic gelation reaction between CS and sodium tripolyphosphate (TPP), a widely used and safe CS cross-linker for biomedical application, was exploited by a microfluidic approach based on a staggered herringbone micromixer (SHM) for the synthesis of TPP cross-linked CS NPs (CS/TPP NPs). Screening design of experiments was applied to systematically evaluate the main process and formulative factors affecting CS/TPP NPs physical properties (mean size and size distribution). Effectiveness of the SHM-assisted manufacturing process was confirmed by the preliminary evaluation of the biological performance of the optimized CS/TPP NPs that were internalized in the cytosol of human mesenchymal stem cells through clathrin-mediated mechanism. Curcumin, selected as a challenging model drug, was successfully loaded into CS/TPP NPs (EE% > 70%) and slowly released up to 48 h via the diffusion mechanism. Finally, the comparison with the conventional bulk mixing method corroborated the efficacy of the microfluidics-assisted method due to the precise control of mixing at microscales.
A Fuzzy Technique for On-Line Aggregation of POIs from Social Media: Definition and Comparison with Off-Line Random-Forest Classifiers
Authors: Psaila Giuseppe , Toccu Maurizio
Published: December 2019

Social media represent an inexhaustible source of information concerning public places (also called points of interest (POIs)), provided by users. Several social media own and publish huge and independently-built corpora of data about public places which are not linked each other. An aggregated view of information concerning the same public place could be extremely useful, but social media are not immutable sources, thus the off-line approach adopted in all previous research works cannot provide up-to-date information in real time. In this work, we address the problem of on-line aggregating geo-located descriptors of public places provided by social media. The on-line approach makes impossible to adopt machine-learning (classification) techniques, trained on previously gathered data sets. We overcome the problem by adopting an approach based on fuzzy logic: we define a binary fuzzy relation, whose on-line evaluation allows for deciding if two public-place descriptors coming from different social media actually describe the same public place. We tested our technique on three data sets, describing public places in Manchester (UK), Genoa (Italy) and Stuttgart (Germany); the comparison with the off-line classification technique called “random forest” proved that our on-line technique obtains comparable results.
Bacterial Semiochemicals and Transkingdom Interactions with Insects and Plants
Authors: Calcagnile Matteo , Tredici Salvatore Maurizio , Talà Adelfia , Alifano Pietro
Published: December 2019

A peculiar feature of all living beings is their capability to communicate. With the discovery of the quorum sensing phenomenon in bioluminescent bacteria in the late 1960s, it became clear that intraspecies and interspecies communications and social behaviors also occur in simple microorganisms such as bacteria. However, at that time, it was difficult to imagine how such small organisms—invisible to the naked eye—could influence the behavior and wellbeing of the larger, more complex and visible organisms they colonize. Now that we know this information, the challenge is to identify the myriad of bacterial chemical signals and communication networks that regulate the life of what can be defined, in a whole, as a meta-organism. In this review, we described the transkingdom crosstalk between bacteria, insects, and plants from an ecological perspective, providing some paradigmatic examples. Second, we reviewed what is known about the genetic and biochemical bases of the bacterial chemical communication with other organisms and how explore the semiochemical potential of a bacterium can be explored. Finally, we illustrated how bacterial semiochemicals managing the transkingdom communication may be exploited from a biotechnological point of view.
Basis of PD1/PD-L1 Therapies
Authors: Seliger Barbara
Published: December 2019

It is obvious that tumor cells have developed a number of strategies to escape immune surveillance including an altered expression of various immune checkpoints, such as the programmed death-1 receptor (PD-1) and its ligands PD-L1 and PD-L2. The interaction between PD-1 and PD-L1 results in an activation of self-tolerance pathways in both immune cells as well as tumor cells. Thus, these molecules represent excellent targets for T cell-based immunotherapies. However, the efficacy of therapies using checkpoint inhibitors is variable and only a limited number of patients receive a long-term response, while others develop resistances. Therefore, a better insight into the constitutive expression levels and their control as well as the predictive and prognostic value of PD-1/PD-L1, which are controversially discussed due to the methodological assessment, the dynamic and time-related variable expression of these molecules, is urgently required. In this review, the current knowledge of the PD-L1 and PD-1 genes, their expression in immune and tumor cells, the underlying molecular mechanisms of their regulation and their association with clinical parameters and therapy responses are summarized.
Synaptic Pruning by Microglia in Epilepsy
Authors: Andoh Megumi , Ikegaya Yuji , Koyama Ryuta
Published: December 2019

Structural and functional collapse of the balance between excitatory (E) and inhibitory (I) synapses, i.e., synaptic E/I balance, underlies the pathogeneses of various central nervous system (CNS) disorders. In epilepsy, the synaptic E/I balance tips toward excitation; thus, most of the existing epileptic remedies have focused on how to directly suppress the activity of neurons. However, because as many as 30% of patients with epilepsy are drug resistant, the discovery of new therapeutic targets is strongly desired. Recently, the roles of glial cells in epilepsy have gained attention because glial cells manipulate synaptic structures and functions in addition to supporting neuronal survival and growth. Among glial cells, microglia, which are brain-resident immune cells, have been shown to mediate inflammation, neuronal death and aberrant neurogenesis after epileptic seizures. However, few studies have investigated the involvement of synaptic pruning—one of the most important roles of microglia—in the epileptic brain. In this review, we propose and discuss the hypothesis that synaptic pruning by microglia is enhanced in the epileptic brain, drawing upon the findings of previous studies. We further discuss the possibility that aberrant synaptic pruning by microglia induces synaptic E/I imbalance, promoting the development and aggravation of epilepsy.
Pseudoerosions of Hands and Feet in Rheumatoid Arthritis: Anatomic Concepts and Redefinition
Authors: Hirtler Lena , Rath Claus , Platzgummer Hannes , Aletaha Daniel , Kainberger Franz
Published: December 2019

Rheumatoid arthritis is a chronic inflammatory disease characterized by the development of osseous and cartilaginous damage. The correct differentiation between a true erosion and other entities—then often called “pseudoerosions”—is essential to avoid misdiagnosing rheumatoid arthritis and to correctly interpret the progress of the disease. The aims of this systematic review were as follows: to create a definition and delineation of the term “pseudoerosion”, to point out morphological pitfalls in the interpretation of images, and to report on difficulties arising from choosing different imaging modalities. A systematic review on bone erosions in rheumatoid arthritis was performed based on the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. The following search terms were applied in PubMed and Scopus: “rheumatoid arthritis”, “bone erosion”, “ultrasonography”, “radiography”, “computed tomography” and “magnetic resonance imaging”. Appropriate exclusion criteria were defined. The systematic review registration number is 138826. The search resulted ultimately in a final number of 25 papers. All indications for morphological pitfalls and difficulties utilizing imaging modalities were recorded and summarized. A pseudoerosion is more than just a negative definition of an erosion; it can be anatomic (e.g., a normal osseous concavity) or artefact-related (i.e., an artificial interruption of the calcified zones). It can be classified according to their configuration, shape, content, and can be described specifically with an anatomical term. “Calcified zone” is a term to describe the deep components of the subchondral, subligamentous and subtendinous bone, and may be applied for all non-cancellous borders of a bone, thus representing a third type of the bone matrix beside the cortical and the trabecular bone.
Hybrid Geopolymeric Foams for the Removal of Metallic Ions from Aqueous Waste Solutions
Authors: Roviello Giuseppina , Chianese Elena , Ferone Claudio , Ricciotti Laura , Roviello Valentina , Cioffi Raffaele , Tarallo Oreste
Published: December 2019

For the first time, hybrid organic–inorganic geopolymeric foams were successfully used as monolithic adsorbents for the removal of metallic ions pollutants from wastewaters. The foams were realized by the in situ foaming of a hybrid geopolymer obtained by a reaction of metakaolin and polysiloxane oligomers under strong alkaline conditions and then cured at room temperature. In this way, porous materials with densities ranging from 0.4 to 0.7 g/cm3 and showing good mechanical properties were produced. With the aim of producing self-standing monolithic adsorbents for the removal of metallic ions pollutants from wastewaters, these porous hybrid geopolymers were subjected to a washing pretreatment with ultrapure water, dried, and then used for absorption tests by dipping them into an aqueous solution with an initial concentration of 20 ppm of Pb2+, Cd2+, Cu2+, and Zn2+ ions. Preliminary results indicated that all the tested materials are effective in the adsorption of the tested metal ions and do not release the removed metal ions upon sinking in ultrapure water, even for a very long time. Interestingly, compressive strength tests performed before and after the washing treatments show that the foamed samples remain intact and maintain their physical–mechanical characteristics, suggesting that these kinds of materials are promising candidates for the production of self-standing, monolithic adsorbent substrates that can be easily collected when exhausted, which is a major advantage in comparison with the use of powdered adsorbents. Moreover, since these materials can be obtained by a simple and versatile experimental procedure, they could be easily shaped or directly foamed into precast molds to be used in packed beds as membranes.
Evaluation of the Mechanical Properties of a 3D-Printed Mortar
Authors: Lee Hojae , Kim Jang-Ho Jay , Moon Jae-Heum , Kim Won-Woo , Seo Eun-A
Published: December 2019

The mechanical properties of 3D-printed mortars are determined in terms of their compressive and direct tensile bond strengths. To determine such properties using existing methods, a preliminary experiment was conducted. The compressive strength of the printed mortar was compared to mold-casted specimens and it was found that the compressive strength decreased by ~30%. Among the fabrication variables, an increase in nozzle height negatively influenced the direct tensile bond strength. For the same conditions and age, the direct tensile strength decreased by as much as 16–29% when the number of layers increased from 2 to 6. When the specimens were fabricated using a specially designed stainless steel frame and core drill, followed by extraction and the application of physical impact, the 28 days compressive strength of the specimen decreased by ~50%.
Polylactide-Based Stent Coatings: Biodegradable Polymeric Coatings Capable of Maintaining Sustained Release of the Thrombolytic Enzyme Prourokinase
Authors: Baikin Alexander S. , Kolmakov Alexey G. , Shatova Lyudmila A. , Nasakina Elena O. , Sharapov Mars G. , Baymler Ilya V. , Gudkov Sergey V. , Sevostyanov Mikhail A.
Published: December 2019

The novelty of the study is the development, creation, and investigation of biodegradable polymeric membranes based on polylactide, that are capable of directed release of large molecular weight biomolecules, particularly, prourokinase protein (MW = 46 kDa). Prourokinase is a medication with significant thrombolytic activity. The created membranes possess the required mechanical properties (relative extension value from 2% to 10%, tensile strength from 40 to 85 MPa). The membranes are biodegradable, but in the absence of living cells in a water solution they decompose by less than 10% in half a year. The created membranes are capable of controlled prourokinase release into intercellular space, and the total enzymatic activity of prourokinase does not decrease by more than 12%. The daily release of prourokinase from one square centimeter of the membrane ranges from 1 to 40 μg per day depending on the technique of membrane preparation. The membranes have no acute toxic effect on cells accreting these surfaces de novo. The number of viable cells is at least 96%−97% of the overall cell count. The mitotic index of the cells growing on the surface of the polymeric films comprised around 1.5%. Histological examination did not reveal any disorders in tissues of the animals after the implantation of polymer membranes based on polylactide, both alone and as components of stent cover. Implantation of stents covered with prourokinase-containing polymers led to the formation of a mature connective tissue capsule that is thicker than in the case of uncovered stents. Thus, various polylactide-based biodegradable polymeric membranes possessing the required mechanical properties and capable of prolonged and directed release of prourokinase macromolecules are developed and investigated in the study.
Effects of Nb on the Microstructure and Compressive Properties of an As-Cast Ni44Ti44Nb12 Eutectic Alloy
Authors: Liu Shifeng , Han Song , Wang Liqiang , Liu Jingbo , Tang Huiping
Published: December 2019

The addition of Nb can form a eutectic phase with a NiTi matrix in a NiTi-based shape memory alloy, improving the transition hysteresis of the NiTi alloy. A Ni44Ti44Nb12 ingot was prepared using the vacuum induction melting technique. Under compression deformation, the yield strength of the NiTi–Nb alloy is about 1000 MPa, the maximum compressive strength and strain can reach 3155 MPa and 43%, respectively. Ni44Ti44Nb12 exhibited a superelastic recovery similar to that of the as-cast NiTi50. Meanwhile, the loading–unloading cycle compression shows that the superelastic recovery strain reached a maximum value (2.32%) when the total strain was about 15%, and the superelasticity tends to rise first and then decrease as the strain increases.
Variation of Crystal Orientation and Dendrite Array Generated in the Root of SX Turbine Blades
Authors: Bogdanowicz Włodzimierz , Krawczyk Jacek , Paszkowski Robert , Sieniawski Jan
Published: December 2019

The variation of the crystal orientation and the dendrite array generated in the root of the single-crystalline (SX) turbine blades made of CMSX-4 superalloy were studied. The blades with an axial orientation of the [001] type were solidified by the industrial Bridgman technique using a spiral selector at a withdrawal rate of 3 mm/min. The analysis of the crystal orientation and dendrite arrangement was carried out using scanning electron microscopy, X-ray diffraction topography, and Laue diffraction. It was found that the lateral growth of such secondary dendrite arms, which are defined as “leading” and grow in the root at first, is related to the rotation of their crystal lattice, which is the reason for creation of the low-angle boundary (LAB) type defects. The primary crystal orientation of the selector extension (SE) area determines the areas and directions of the lateral growth of the leading arms. Additionally, it was found that in the SE areas of the root, near the connection with the selector, the spatial distribution of the [001]γ′ crystallographic direction has a complex wave-like character and may be related to the shape of the crystallization front.
Conscious Sedation in Dentistry
Authors: Fiorillo Luca
Published: December 2019

Invasive dental procedures can be performed only with local anesthesia; in some cases, it may be useful to combine the administration of drugs to obtain anxiolysis with local anesthesia. Sedation required level should be individually adjusted to achieve a proper balance between the needs of the patient, the operator, and the safety of the procedure. Surgical time is an important factor for post-operative phases, and this could be greatly increased by whether the patient interrupts the surgeon or if it is not collaborative. In this manuscript some dentistry-used methods to practice conscious sedation have been evaluated. This manuscript could be a useful reading on the current state of conscious sedation in dentistry and an important starting point for future perspectives. Surely the search for safer drugs for our patients could have beneficial effects for them and for the clinicians.
Single-Center Study of Lymphoepithelioma-Like Carcinoma of Uterine Cervix over a 10-Year Period
Authors: Yordanov Angel , Karamanliev Martin , Karcheva Milena , Konsoulova Assia , Vasileva-Slaveva Mariela , Strashilov Strahil
Published: December 2019

Background and objectives: Lymphoepithelioma-like carcinoma (LELC) is a histological type of malignant tumor arising from the uncontrolled mitosis of transformed cells originating in epithelial tissue. It is a rare subtype of squamous cell carcinoma of the uterine cervix. There are significant differences in frequency, mean age, viral status, and outcomes in Asian or Caucasian patients. Materials and Methods: A retrospective study of all cases of lymphoepithelioma-like carcinoma of the cervix at the Clinic of Oncogynecology, University Hospital, Pleven, Bulgaria between 1 January 2007 and 31 December 2016 was performed. All patients were followed-up till March 2019. We analyzed some clinical characteristics of the patients, calculated the frequency of lymphoepithelioma-like carcinoma of the cervix from all patients with stage I cervical cancer, and looked at the overall survival rate, the 5-year survival rate, and the correlation between overall survival, lymph node status, and the size of the tumor. Results: The frequency of lymphoepithelioma-like carcinoma was 3.3% for all cases with cervical carcinoma at stage I. The mean age of the patients with LELC was 49.6 years (range 32–67). Fourteen patients (82.4%) were in the FIGO IB1 stage, three patients (17.6%) were in the FIGO IB2 stage. Lymph nodes were metastatic in three patients (17.6%), non-metastatic in 13 patients (76.5%), and unknown in one patient. The overall survival rate was 76.47% for the study period and the 5-year survival rate of the patients that were followed-up until the 5th year (14 patients) was 69.23%. Conclusions: Lymphoepithelioma-like carcinoma is a rare SCC subtype, but it could be more frequent among western patients than previously thought. Our results do not confirm the data showing low risk of lymph metastasis and good prognosis of LELC, which is why we think that the treatment in these cases has to be more aggressive than is reported in the literature.
Proteomic and Phosphoproteomic Analysis Reveals that Neurokinin-1 Receptor (NK1R) Blockade with Aprepitant in Human Keratinocytes Activates a Distinct Subdomain of EGFR Signaling: Implications for the Anti-Pruritic Activity of NK1R Antagonists
Authors: Kwatra Shawn G. , Boozalis Emily , Huang Amy H. , Nanni Cory , Khanna Raveena , Williams Kyle A. , Semenov Yevgeniy R. , Roberts Callie M. , Burns Robert F. , Krischak Madison , Kwatra Madan M.
Published: December 2019

Background: Epidermal growth factor receptor (EGFR) inhibitors can cause serious cutaneous toxicities, including pruritus and papulopustular acneiform skin eruptions. Increasingly, the neurokinin-1 receptor (NK1R) antagonist aprepitant is being utilized as an anti-pruritic agent in the treatment of EGFR-inhibitor induced pruritus. Aprepitant is believed to reduce itching by blocking NK1R on the surface of dermal mast cells. However, the effects of aprepitant on human keratinocytes remains unexplored. Methods: Herein, we examine the effects of aprepitant on EGFR stimulation in HaCaT cells using a phosphoproteomic approach including reverse phase protein arrays and Ingenuity Pathway Analysis. Changes in EGFR phosphorylation were visualized using Western blotting and the effect of EGF and aprepitant on the growth of HaCaT cells was determined using the WST-1 Cell Proliferation Assay System. Results: We found that aprepitant increased the phosphorylation of EGFR, as well as 10 of the 23 intracellular proteins phosphorylated by EGF. Analysis of phosphoproteomic data using Ingenuity Pathway Analysis software revealed that 5 of the top 10 pathways activated by EGF and aprepitant are shared. Conclusions: We propose that aprepitant produces its antipruritic effects by partially activating EGFR. Activation of EGFR by aprepitant was also seen in primary human keratinocytes. In addition to itch reduction through partial activation of shared EGFR pathways, aprepitant exerts a dose-dependent cytotoxicity to epithelial cells, which may contribute to its antitumor effects.
Structure and Stability of the Stoichiometric Al3Fe Phase
Authors: Xia Zheng , Wen Bin , Fan Changzeng
Published: December 2019

A disordered stoichiometric Al3Fe phase was obtained when synthesizing Al8Fe3 by the spark plasma sintering (SPS) approach and its crystal structure was determined by the single-crystal X-ray diffraction (SXRD) techniques. The refined structure is an isotype of the reported Al5Fe2 phase, only different in the site occupation factors (s. o. f.) of Al2 and Al3 atoms, which was refined to be 0.431 (13) and 0.569 (13), respectively. Stimulated by the structural refinement results, an ordered stoichiometric Al3Fe phase was established. First-principles calculations reveal that the ordered Al3Fe phase is mechanically and dynamically stable and has a much lower value of enthalpy of formation than any other proposed Al3Fe phases, although it is also metallic and metastable.
Welding Window: Comparison of Deribas’ and Wittman’s Approaches and SPH Simulation Results
Authors: Émurlaeva Yulia Yu. , Bataev Ivan A. , Zhou Qiang , Lazurenko Daria V. , Ivanov Ivan V. , Riabinkina Polina A. , Tanaka Shigeru , Chen Pengwan
Published: December 2019

A welding window is one of the key concepts used to select optimal regimes for high-velocity impact welding. In a number of recent studies, the method of smoothed particle hydrodynamics (SPH) was used to find the welding window. In this paper, an attempt is made to compare the results of SPH simulation and classical approaches to find the boundaries of a welding window. The experimental data on the welding of 6061-T6 alloy obtained by Wittman were used to verify the simulation results. Numerical simulation of high-velocity impact accompanied by deformation and heating was carried out by the SPH method in Ansys Autodyn software. To analyze the cooling process, the heat equation was solved using the finite difference method. Numerical simulation reproduced most of the explosion welding phenomena, in particular, the formation of waves, vortices, and jets. The left, right, and lower boundaries found using numerical simulations were in good agreement with those found using Wittman’s and Deribas’s approaches. At the same time, significant differences were found in the position of the upper limit. The results of this study improve understanding of the mechanism of joint formation during high-velocity impact welding.
The Effect of Ca Content on the Formation Behavior of Inclusions in the Heat Affected Zone of Thick High-Strength Low-Alloy Steel Plates after Large Heat Input Weldings
Authors: Zhang Yinhui , Yang Jian , Xu Longyun , Qiu Yunlong , Cheng Guoguang , Yao Meiyi , Dong Jianxin
Published: December 2019

Ca deoxidation has been acknowledged recently as an effective oxide metallurgy technology that improves the toughness of the heat affected zone (HAZ) in high-strength low-alloy (HSLA) steel plates after large heat input welding. This paper describes the effect of Ca concentrations on the formation behavior of the non-metallic inclusions in the HAZs of a series of thick HSLA steel plates after large heat input welding at 400 kJ cm−1. The quantitative statistics on the inclusions show that the Ca addition significantly decreases the quantity of the pure MnS sulfide, but increases that of the complex oxysulfide. The pure MnS sulfide precipitates below the solidus temperature, while the complex oxysulfide forms in the molten liquid, leading to the core (oxide) and shell (sulfide) structure. The Ca addition proportionally improves the HAZ toughness of these thick HSLA steel plates, primarily owing to the positive effect of the complex oxysulfides on the refinement of the HAZ microstructure.
My Career as a Mineral Physicist at Stony Brook: 1976–2019
Authors: Liebermann Robert Cooper
Published: December 2019

In 1976, I took up a faculty position in the Department of Geosciences of Stony Brook University. Over the next half century, in collaboration with graduate students from the U.S., China and Russia and postdoctoral colleagues from Australia, France and Japan, we pursued studies of the elastic properties of minerals (and their structural analogues) at high pressures and temperatures. In the 1980s, together with Donald Weidner, we established the Stony Brook High Pressure Laboratory and the Mineral Physics Institute. In 1991, in collaboration with Alexandra Navrotsky at Princeton University and Charles Prewitt at the Geophysical Laboratory, we founded the NSF Science and Technology Center for High Pressure Research.
Effect of Auxiliary Donors on 3,8-Phenothiazine Dyes for Dye-Sensitized Solar Cells
Authors: Buene Audun Formo , Christensen Mats , Hoff Bård Helge
Published: December 2019

Phenothiazines are one of the more common dye scaffolds for dye-sensitized solar cells. However, these sensitizers are exclusively based on a 3,7-substitution pattern. Herein, we have synthesized and characterized novel 3,8-substituted phenothiazine dyes in order to evaluate the effect of auxiliary donor groups on the performance of this new dye class. The power conversion efficiency increased by 7%–10% upon insertion of an auxiliary donor in position 8 of the phenothiazine, but the structure of the auxiliary donor (phenyl, naphthyl, pyrene) had a low impact when electrodes were stained with chenodeoxycholic acid (CDCA) additive. In the absence of CDCA, the highest power conversion efficiency was seen for the phenyl-based sensitizer attributed to a higher quality dye-monolayer. By comparing the novel dyes to their previously reported 3,7- analogues, only subtle differences were seen in photophysical, electrochemical, and performance measurements. The most notable difference between the two geometries is a lowering of the oxidation potentials of the 3,8-dyes by 40–50 mV compared to the 3,7-analogues. The best auxiliary donor for the 3,8-phenothiazine dyes was found to be pyrenyl, with the best device delivering a power conversion efficiency of 6.23% (99 mW cm−2, 10 eq. CDCA, JSC = 10.20 mA cm−2, VOC = 791 mV, and FF = 0.765).
Housefly Pupae-Derived Antioxidant Peptides Exerting Neuroprotective Effects on Hydrogen Peroxide-Induced Oxidative Damage in PC12 Cells
Authors: Sun Tingting , Zhang Sichen , Yang Wenzhe , Zhao Zhimin , Yang Depo
Published: December 2019

In this study, two antioxidant peptides were identified and characterized from the alcalase-hydrolysate of housefly (Musca domestica L.) pupae guided by ABTS cation radical scavenging activity. Peptides sequences were identified as DFTPVCTTELGR (DR12, 1338.48 Da) and ARFEELCSDLFR (AR12, 1485.66 Da) using nano-liquid chromatography-tandem mass spectrometry (LC-MS/MS). Both DR12 and AR12 exert strong ABTS cation radical scavenging ability with EC50 values of 0.39 and 0.35 mM, respectively. Moreover, AR12 can effectively protect PC12 cells from oxidative damage induced by hydrogen peroxide (H2O2) by decreasing intracellular reactive oxygen species (ROS) and malonaldehyde (MDA), recovering cellular mitochondrial membrane potential (MMP), and increasing the activity of intracellular superoxide dismutase (SOD). Stability tests suggest that AR12 is competent for the challenge of heating, acid, alkali or simulated gastrointestinal (GI) digestion and exhibits great activity to remove ABTS cation radical. DR12 shows a great stability against heating, but its antioxidative ability declines after being treated with acid, alkali or simulated GI digestion. In general, both DR12 and AR12 identified from housefly pupae hydrolysate stand a chance of being potential antioxidants or precursors to antioxidants and AR12 might be applied in the field of neuroprotection.
Preparation and Characterisation of Polyphenol-HP-β-Cyclodextrin Inclusion Complex that Protects Lamb Tripe Protein against Oxidation
Authors: Li Wenhui , Ran Lidan , Liu Fei , Hou Ran , Zhao Wei , Li Yingbiao , Wang Chunyan , Dong Juan
Published: December 2019

Grape seed extract (GSE) displays strong antioxidant activity, but its instability creates barriers to its applications. Herein, three HP-β-CD/GSE inclusion complexes with host–guest ratios of 1:0.5, 1:1, and 1:2 were successfully prepared by co-precipitation method to improve stability. Successful embedding of GSE in the HP-β-CD cavity was confirmed by fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), differential scanning calorimetry (DSC), and scanning electron microscopy (SEM) analyses. The Autodock Tools 1.5.6 was used to simulate the three-dimensional supramolecular structure of the inclusion complex of 2-hydroxypropyl-β-cyclodextrin and grape seed extract (HP-β-CD/GSE) by molecular docking. The MALDI-TOF-MS technology and chemical database Pubchem, and structural database PDB were combined to reconstitute the three-dimensional structure of target protein. The binding mode of the HP-β-CD/GSE inclusion complex to target protein was studied at the molecular level, and the antioxidant ability of the resulting HP-β-CD/GSE inclusion complexes was investigated by measuring 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging. The effects of HP-β-CD/GSE on myofibrillar protein from lamb tripe were also investigated under oxidative conditions. The positions and interactions of the binding sites of HP-β-CD/GSE inclusion complexes and target protein receptors were simulated by molecular docking. The results showed that HP-β-CD/GSE inclusion complexes were successfully prepared, optimally at a molar ratio of 1:2. At low (5 μmol/g) to medium (105 μmol/g) concentrations, HP-β-CD/GSE inclusion complexes decreased the carbonyl content, hydrophobicity, and protein aggregation of myofibrillar protein from lamb tripe, and increased the sulphydryl content. Furthermore, high concentration (155 μmol/g) of HP-β-CD/GSE inclusion complexes promoted protein oxidation.
Methyltransferase Inhibitors: Competing with, or Exploiting the Bound Cofactor
Authors: Ferreira de Freitas Renato , Ivanochko Danton , Schapira Matthieu
Published: December 2019

Protein methyltransferases (PMTs) are enzymes involved in epigenetic mechanisms, DNA repair, and other cellular machineries critical to cellular identity and function, and are an important target class in chemical biology and drug discovery. Central to the enzymatic reaction is the transfer of a methyl group from the cofactor S-adenosylmethionine (SAM) to a substrate protein. Here we review how the essentiality of SAM for catalysis is exploited by chemical inhibitors. Occupying the cofactor binding pocket to compete with SAM can be hindered by the hydrophilic nature of this site, but structural studies of compounds now in the clinic revealed that inhibitors could either occupy juxtaposed pockets to overlap minimally, but sufficiently with the bound cofactor, or induce large conformational remodeling leading to a more druggable binding site. Rather than competing with the cofactor, other inhibitors compete with the substrate and rely on bound SAM, either to allosterically stabilize the substrate binding site, or for direct SAM-inhibitor interactions.
Unexpected Rearrangement of N-Allyl-2-phenyl-4,5-Dihydrooxazole-4-Carboxamides to Construct Aza-Quaternary Carbon Centers
Authors: Choi Goyeong , Jo Seoyoung , Mun Juyeon , Jeong Yonguk , Kim Seok-Ho , Jung Jong-Wha
Published: December 2019

The unexpected rearrangement of N-allyl-2-phenyl-4,5-dihydrooxazole-4-carboxamides in the presence of LiHMDS has been found. The key features are: (1) the net reaction consisted of 1,3-migration of the N-allyl group, (2) the rearrangement produced a congested aza-quaternary carbon center, (3) both cyclic and acyclic substrates underwent the unexpected rearrangement to afford products in moderate to high yields, and (4) the reaction seemed to be highly stereoselective. In addition, a plausible mechanism has been discussed.
Scalable Preparation of Enantioenriched (S)-5-methylhept-2-en-4-one. Synthesis and Aroma Properties of Achiral Analogues Thereof
Authors: Puchľová Eva , Dendys Michal , Špánik Ivan , Szolcsányi Peter
Published: December 2019

(S)-5-Methylhept-2-en-4-one is a key flavour compound in hazelnuts. We have performed its chiral-pool-based chemoenzymatic synthesis with 39% overall yield (73% ee). The four-step aldol-based sequence avoids the use of highly reactive and/or toxic reagents, does not require anhydrous conditions and uses only distillation as the purification method. Thus, such methodology represents a green and scalable alternative to only two stereoselective approaches towards this natural product known so far. In addition, we have designed and prepared a set of new (di)enones as achiral synthetic analogues of the title compound. The results of their sensory analyses clearly show that relatively minor structural changes of the natural molecule significantly alter its olfactory properties. Thus, simple (poly)methylation completely changes the original hazelnut aroma of (S)-5-methylhept-2-en-4-one and shifts the odour of its analogues to eucalyptus, menthol, camphor, and sweet aroma.
Characterization of Intact Eukaryotic Cells with Subcellular Spatial Resolution by Photothermal-Induced Resonance Infrared Spectroscopy and Imaging
Authors: Quaroni Luca
Published: December 2019

Photothermal-induced resonance (PTIR) spectroscopy and imaging with infrared light has seen increasing application in the molecular spectroscopy of biological samples. The appeal of the technique lies in its capability to provide information about IR light absorption at a spatial resolution better than that allowed by light diffraction, typically below 100 nm. In the present work, we tested the capability of the technique to perform measurements with subcellular resolution on intact eukaryotic cells, without drying or fixing. We demonstrate the possibility of obtaining PTIR images and spectra from the nucleus and multiple organelles with high resolution, better than that allowed by diffraction with infrared light. We obtain particularly strong signal from bands typically assigned to acyl lipids and proteins. We also show that while a stronger signal is obtained from some subcellular structures, other large subcellular components provide a weaker or undetectable PTIR response. The mechanism that underlies such variability in response is presently unclear. We propose and discuss different possibilities, addressing thermomechanical, geometrical, and electrical properties of the sample and the presence of cellular water, from which the difference in response may arise.
The Potential Use of Resveratrol for Cancer Prevention
Authors: Vervandier-Fasseur Dominique , Latruffe Norbert
Published: December 2019

In addition to the traditional treatments of cancer and cancer prevention, the use of natural compounds, especially those found in food, should be considered. To clarify if resveratrol has the potential for cancer prevention and the possibility of use in therapy, the following must be taken into account: data from epidemiology, clinical protocol (case and control), preclinical studies (lab animals), use of established cell lines as models of cancer cells, test tube assays (enzymes activities), and requirements of nanotechnologies in order to discover new drugs to fight cancer. From this perspective and future expected advances, more information is needed such as improved efficacy, methods of application, and the synergistic sensitization of resveratrol as an adjuvant. In addition, resveratrol nanoformulation is considered to overcome its weak bioavailability.
Chasing ChEs-MAO B Multi-Targeting 4-Aminomethyl-7-Benzyloxy-2H-Chromen-2-ones
Authors: Rullo Mariagrazia , Catto Marco , Carrieri Antonio , de Candia Modesto , Altomare Cosimo Damiano , Pisani Leonardo
Published: December 2019

A series of 4-aminomethyl-7-benzyloxy-2H-chromen-2-ones was investigated with the aim of identifying multiple inhibitors of cholinesterases (acetyl- and butyryl-, AChE and BChE) and monoamine oxidase B (MAO B) as potential anti-Alzheimer molecules. Starting from a previously reported potent MAO B inhibitor (3), we studied single-point modifications at the benzyloxy or at the basic moiety. The in vitro screening highlighted triple-acting compounds (6, 8, 9, 16, 20) showing nanomolar and selective MAO B inhibition along with IC50 against ChEs at the low micromolar level. Enzyme kinetics analysis toward AChE and docking simulations on the target enzymes were run in order to get insight into the mechanism of action and plausible binding modes.
Oxidation of Sodium Deoxycholate Catalyzed by Gold Nanoparticles and Chiral Recognition Performances of Bile Salt Micelles
Authors: Wang Jing , Xu Xu , Chen Hao , Zhang Shuai-Shuai , Peng Yin-Xian
Published: December 2019

Au nanoparticles (NPs) were prepared by UV light irradiation of a mixed solution of HAuCl4 and sodium deoxycholate (NaDC) under alkaline condition, in which NaDC served as both reducing agent and capping agent. The reaction was monitored by circular dichroism (CD) spectra, and it was found that the formed gold NPs could catalyze the oxidation of NaDC. A CD signal at ~283 nm in the UV region was observed for the oxidation product of NaDC. The intensity of the CD signal of the oxidation product was enhanced gradually with the reaction time. Electrospray ionization (ESI) mass spectra and nuclear magnetic resonance (NMR) spectra were carried out to determine the chemical composition of the oxidation product, revealing that NaDC was selectively oxidized to sodium 3-keto-12-hydroxy-cholanate (3-KHC). The chiral discrimination abilities of the micelles of NaDC and its oxidation product, 3-KHC, were investigated by using chiral model molecules R,S-1,1′-Binaphthyl-2,2′-diyl hydrogenphosphate (R,S-BNDHP). Compared with NaDC, the micelles of 3-KHC displayed higher binding ability to the chiral model molecules. In addition, the difference in binding affinity of 3-KHC micelles towards R,S-isomer was observed, and S-isomer was shown to preferentially bind to the micelles.
Pt Cluster Modified h-BN for Gas Sensing and Adsorption of Dissolved Gases in Transformer Oil: A Density Functional Theory Study
Authors: Gui Yingang , Li Tao , He Xin , Ding Zhuyu , Yang Pingan
Published: December 2019

Hexagonal-Boron nitride nanotubes (h-BN) decorated with transition metals have been widely studied due to their enhanced physicochemical properties. In this paper, Pt cluster-modified h-BN is proposed as a sensitive material for a novel gas sensor for the online malfunction monitoring of oil-immersed transformers. The inner oil is ultimately decomposed to various gases during the long-term use of oil-immersed transformers. Exposure to excessively high temperatures produces the alkanes CH4 and C2H6, whereas different degrees of discharge generate H2 and C2H2. Therefore, the identification of H2, CH4, and C2H2 gas efficiently measures the quality of transformers. Based on the density functional theory, the most stable h-BN doped with 1–4 Pt atoms is employed to simulate its adsorption performance and response behavior to these typical gases. The adsorption energy, charge transfer, total density of states, projected density of states, and orbital theory of these adsorption systems are analyzed and the results show high consistency. The adsorption ability for these decomposition components are ordered as follows: C2H2 > H2 > CH4. Pt cluster-modified h-BN shows good sensitivity to C2H2, H2, with decreasing conductivity in each system, but is insensitive to CH4 due to its weak physical sorption. The conductivity change of Ptn-h-BN is considerably larger upon H2 than that upon C2H2, but is negligible upon CH4. Our calculations suggest that Pt cluster modified h-BN can be employed in transformers to estimate their operation status.
Herbal Teas and Drinks: Folk Medicine of the Manoor Valley, Lesser Himalaya, Pakistan
Authors: Rahman Inayat Ur , Afzal Aftab , Iqbal Zafar , Hart Robbie , Abd_Allah Elsayed Fathi , Hashem Abeer , Alsayed Mashail Fahad , Ijaz Farhana , Ali Niaz , Shah Muzammil , Bussmann Rainer W. , Calixto Eduardo Soares
Published: December 2019

In spite of the remarkable achievements in the healthcare sector over recent decades, inequities in accessibility and affordability of these facilities coexist throughout Pakistan. Thus, we aimed to explore and document the cultural knowledge of herbal teas used medicinally by the local community members of Manoor Valley, Pakistan. Field investigations were undertaken during the summer season of 2015–2017, and cultural practices of medicinal plant usage for treating various ailments were gathered through interviews of the local inhabitants. Ethnomedicinal insights of the medicinal plants used in herbal teas were gained with different indexes. Our results revealed 27 plant species, comprising of herbs (70%), shrubs (26%), and trees (4%), which were used for treating 21 diseases. Plants belonged to 18 families: Asteraceae and Lamiaceae were the leading families used for treating diseases. Diarrhea and gas troubles were the most frequent diseases. Based on indexes values, Cannabis sativa was the dominant species used. The results revealed that 57% of medicinal uses are new to literature. This ethnomedicinal study is providing the first insights into the traditional medication system of Lesser Himalaya, Pakistan, through ethnomedicinal teas.