bluuebunny/crossref_metadata_2025 huggingface dataset:
in silico Evaluation of 4-Amino-5-substituted-4H-1,2,4-triazole-3-thiol Derivatives against DNA Gyrase, COX-2 and Cathepsin B
Authors: Kumari V. Anitha , Begum Shaheen , Bharathi K.
Published: June 2019

Biological activities of 1,2,4-triazoles, in particular, anticancer, anti-inflammatory and antimicrobial activities are potentiated by the presence of thiol group and free amino groups. Enticed by this, a series of 1,2,4-triazole derivatives were designed by introducing different substituent groups at 5th position of 4-amino-4H-1,2,4-triazole-3-thiol ring and their binding affinities were determined by molecular docking studies with the targets associated with bacterial infections, inflammation and cancer (DNA gyrase, cyclooxygenase-II (COX-2) and cathepsin B; PBD IDs: 1KZN, 3LN1 and 1SP4). Results revealed that all the compounds displayed good binding affinity towards the selected targets. The designed compounds showed relatively good affinity for cathepsin B and DNA gyrase enzymes when compared to COX-2. In comparison to aromatic groups, substitution with long aliphatic chains at 5th position significantly improved the binding properties of the compounds towards the targets. 1,2,4-Triazole ring was found to be crucial to form hydrogen bonding interactions with the active site amino acid residues. Stearyl and oleayl substituted derivatives (B6 and B7) exhibited superior binding properties and thus disclosing their pharmacological significance. Interestingly none of the compound showed affinity for permeability glycoprotein (P-gp), suggesting that their cellular uptake will be good in cancer cells.
Structural, Biological and Photocatalytic Properties of Zirconium Oxide Nanoparticles Synthesized by Microwave Assisted Solution Method
Authors: Vijayalakshmi S. , Kumar E. , Durai S.C. Vella
Published: June 2019

Zirconium dioxide nanoparticles have been synthesized by microwave assisted solution method. The prepared nanoparticle have been characterized by powder X-ray diffraction, scanning electron microscope, Fourier transform infrared spectroscopy, ultraviolet- diffuse reflectance spectra, thermo gravimetric-differential thermal analysis and also evaluated for their antibacterial activity against bacterial strains. XRD pattern showed the prepared ZrO2 nanoparticles having monoclinic structure which shows the average crystalline size around 20 nm. SEM image showed the particles are spherical shape with agglomeration due to the intermolecular attraction for small particle size. From the UV-DRS,the energy band gap has found to be 4.9 eV. The results of antibacterial activity showed that the nanocrystalline zirconium dioxide had an important inhibitory activity against pseudomonas arginosa. Photocatalytic degradation of methylene blue dye in the presence of ZrO2 nanoparticle under sunlight has been investigated at various times. The 75 % of methylene blue dye has been degraded at 140 min of sunlight irradiation. The photocatalytic activity of catalyst has been high for 40 mg/50 mL sample concentration.
Spectral, Thermal, Crystal Structure, Hirshfeld Surface Analyses and Biological Activities of New Hydrazinium Dipicolinato Copper(II) Tetrahydrate
Authors: Naresh K. , Sivasankar B.N.
Published: June 2019

A new copper complex of pyridine-2,6-dicarboxylate containing hydrazinium cation, formulated as (N2H5)2[Cu(PDC)2]·4H2O (PDC = pyridine-2,6-dicarboxylate) has been synthesized from copper(II) nitrate, hydrazine hydrate and pyridine-2,6-dicarboxylic acid as a single crystal and characterized by elemental analysis and spectroscopic (IR and UV-visible), thermal (TG/DTG), single crystal X-ray diffraction and biological studies. A six-coordinate complex with a distorted octahedral geometry around Cu(II) ion is proposed and confirmed by X-ray single crystal method. The structure reveals that two pyridine-2,6-dicarboxylate species acting as tridentate ligands and hydrazinium cation present as a counter ion along with non-coordinated four water molecules. The structural units of copper(II) is mutually held by the hydrogen bonds and π···π and C–O···π interactions. The copper(II) complex is connected to one another via O–H···O hydrogen bonds, forming water clusters, which plays an important role in the stabilization of the crystal structure. In the water clusters, the water molecules are trapped by the cooperative association of coordination interactions as well as hydrogen bonds. Both cation and anion interactions and crystal from various types of intermolecular contacts and their importance were explored using Hirshfeld surface analysis. This indicates that O···H/H···O interactions are the superior interactions conforming excessive H-bond in the molecular structure. The interaction of copper(II) complex with calf thymus DNA (CT-DNA) was investigated by electronic absorption spectroscopic technique. The electronic evidence strongly shows that the compound interacts with calf thymus through intercalation with a binding constant of Kb = 5.7 × 104 M–1.
A Novel DNA and Dengue Virus Protein Binding of Antipyridine Based Copper and Zinc Metal Complexes through Molecular Docking Studies
Authors: Gita K.N. , Chandrasekaran V. , Akilan P.
Published: June 2019

The Cu(II) and Zn(II) complexes were synthesized using Schiff base ligand by refluxing with CuCl2 and ZnCl2. A Schiff base ligand (L) was synthesized by condensing o-vanillin and 4-aminoantipyrine. The synthesized ligand and metal complexes were characterized by IR and mass spectrometry. The synthesized Cu(II) and Zn(II) metal complexes were especially docked with human DNA (PDB I.D: 1BNA) and dengue protein virus (PDB ID: 2VBC) using auto dock software tools version 1.5.6 and pymol. The binding of the ligand and biomolecule in grid point value of x × y × z directions of 90 × 90 × 90 and a grid space group value of 0.380 Å. The binding energy values of Cu(II) and Zn(II) complexes were respectively -7.1 and -7.4 kcal mol–1 towards NS3 protease-helicase, while the binding energy values of Cu(II) and Zn(II) complexes were found to be -8.5 and -8.2 kcal mol–1, respectively towards B-DNA.
Molecular Orbital Study of Flouroaryl Substituted Amino-Borane Dimers: Geometry, Energetics and Reactivity
Authors: Gulati Shikha , Lamba Divya , Tandon H.C.
Published: June 2019

The electronic properties in terms of HOMO-LUMO energy, electronegativity, hardness and
electrophilicity index have been calculated and discussed in the framework of Unrestricted Hartee-Fock (UHF), semi-emperical parametric method (PM3) for six fluoro-substituted aminoborane dimers, viz. [Me2B-μ-N(H)ArF]2 (Ar: 4-C6H4F (1), 2-C6H5F (2); 3,5-C6H3F2 (3); 2,3,4,5-C6HF4 (4); 2,3,5,6-C6HF4 (5) and C6F5 (6)). The calculated parameters mentioned above have been compared with the available experimental and other theoretical estimates. The results are in excellent agreement with the reported estimates. The geometrical parameters calculated are also in good agreement with available experimental and theoretical values. The chemical reactivity is also discussed in terms of electrophilicity index (ω) values.
Isolation and Characterization of Secondary Metabilites and Evaluation of Antimicrobial, Antioxidant and Thrombolytic Potentials of Erythrina variegata L. Bark
Authors: Tabassum Fatema , Hasan Choudhury Mahmood , Masud Mohammad Mehedi , Nur Manik Md. Imran , Ahsan Monira
Published: June 2019

Six compounds, sitosta-4-en-3-one (1), 3β,28-dihydroxyolean-12-en (2), scandenone (3), alpinum isoflavone (4), stigmasterol (5) and lupeol (6) were isolated from the methanol soluble extract of the stem bark of Erythrina variegata. The structure of the compounds was established by extensive NMR studies as well as co-TLC with authentic sample. The petroleum ether, carbon tetrachloride, chloroform and aqueous soluble fractions of the methanolic extract of Erythrina variegata were evaluated for antimicrobial, antioxidant and thrombolytic properties. In the antimicrobial study, most of the fractions of the extract exhibited mild to moderate antimicrobial activity where the zone of inhibition were ranging from 7.69 to 19.51 mm. The chloroform soluble fraction showed significant antioxidant activity with IC50 value 66.28 μg/mL as compared to standard BHT (IC50 value 23.09 μg/mL). The thrombolytic property of different extracts of E. variegata exhibited moderate activity ranging from 31.25 to 57.78 %.
High Performance Liquid Chromatography Analysis Using Rutin Marker and Estimation of
Phenolic & Flavonoid Compounds in the Extracts of Indian Medicinal Plant Morus nigra L.
Authors: Singh Sunita , Tripathi Alka , Lal V.K. , Singh Dhananjay
Published: June 2019

Morus nigra L. (black mulberry) belongs to moraceae family of Indian medicinal plants. Black mulberry has significant anticancerous, antioxidant, antidiabetic, antimicrobial and antiobesity activities. Rutin marker was used for high performance liquid chromatography technique. We used gallic acid and quercetin for phenolic compound determination and flavonoid content determination in plant leaf extract. Plant extract of this species was analyzed quantitatively and qualitatively through high pressure liquid chromatography. Rutin compound was the main marker, which is a flavonoidal compound. Standard solution (1 mg/mL) of rutin was prepared by using CH3OH. Methanol:water (80:20, v/v) ratio was used to dissolve powdered M. nigra plant leaves (100 mg), in which 0.01 mg/g rutin content was found. Total phenolic content in M. nigra was found 43.15 ± 0.68 mg/g GAE (gallic acid equivalents). Total flavonoid content in M. nigra was found 5.8 ± 0.46 mg/g QE. It was found that the M. nigra has not significant rutin potency and found to be as 0.01 mg/g.
Green Synthesis and Characterization of α-Fe2O3 Nanoparticles using Leaf Extract of Syzygium cumini and their Suitability for Adsorption of Cu(II) and Pb(II) Ions
Authors: Joshi Naveen Chandra , Chodhary Akshita , Prakash Yashwini , Singh Ajay
Published: June 2019

In the present study, we have synthesized α-Fe2O3 nanoparticles by using the leaf extract of Syzygium cumini. The applying green synthetic process is very efficient, low cost and can be applicable in the large scale operations. The freshly synthesized dried nanoparticles were characterized by UV-visible, FT-IR, XRD and FESEM. The α-Fe2O3 (haematite) nanoparticles have now used as effective nano-adsorbents for the removal of Cu(II) and Pb(II) ions from synthetically prepared wastewater under batch conditions. The batch system included contact time, dosage, pH, concentration and temperature. The maximum adsorption efficiency was found at optimized conditions such as contact time 60 min, higher acidic pH 6, higher dosage of sorbent 1.0 g and lower metal ion concentration 10 mg/L. For Pb(II) ions, 59.79, 85.10, 51.39 and 36.81 % adsorption was found at contact time 60 minutes, pH 6, dosage 1 g and metal ion concentration 10 mg/L. Similarly, for Cu(II) ions at same conditions, the adsorption was found to be 49.88, 69.73, 53.77 and 20.68 %, respectively. The equilibrium data of adsorption have been tested by Langmuir, Freundlich and Temkin isotherm models. The adsorption data were best fitted to Langmuir isotherm model with the regression values R2 = 0.984 for Cu(II) ions and R2 = 0.9383 for Pb(II) ions. The adsorption capacity of α-Fe2O3 nanoparticles for Cu(II) and Pb(II) ions was found 7.535 and 6.480 mg/g, respectively.
Molecular Structure and Spectral Characterization of Diamagnetic Co(III) Complex Incorporating Hexaadentate Schiff Base Ligand
Authors: Al-Farraj Eida S. , Alturiqi Amani S. , Anazy Murefah M. , Ammar Reda A.
Published: June 2019

A novel Co(III) complex derived from hexaadentate Schiff base ligand, H3L was described. The ligand is prepared from the reaction of tris-2-aminoethyl amine and o-vanillin in 1:3 molar ratio. The structure of the ligand and its Co(III) complex was described by micro-analyses, FT-IR, NMR, ESI-MS and UV/visible and thermal stability. DFT study was carried out to get insights into the ligand and its Co(III) complex to compare the values of bond lengths and angles with each other. The electronic spectra, Mulliken atomic charge distribution, HOMO-LUMO energy and the thermodynamic parameters have been calculated.
Characterization of Natural Rubber/Polyethylene Oxide (NR/PEO) Block Copolymer-Metal Ion Chelates
Authors: Mrudula M.S. , Nair M.R. Gopinathan
Published: June 2019

Two shot solution polymerized natural rubber/polyethylene oxide (NR/PEO) block copolymers are used as chelating exchanger for the metal ions Mn(II) and Fe(II). The polymer - metal ion chelates are prepared via solution batch adsorption method and are subjected to various characterisation techniques. Adsorption studies shows 96 and 63 % complexation for Mn(II) and Fe(III) ions, respectively. The 72 helical conformation of PEO and metal-etheric oxygen coordination are confirmed by FT-IR spectroscopy. The XRD results revealed the complete miscibility of metal ions and semi-crystalline nature of samples. The EDX analysis confirmed the presence of metal ions in the polymer chelates. Surface morphology is also studied using SEM and TEM techniques.
Effect of Precursors on Structural and Optical Properties of Sol-Gel Synthesized ZnO Nanopowders
Authors: Vanaja A. , Jeevanandam Jaison , Suresh M.
Published: June 2019

The present work aims at evaluating the outcome of zinc precursors on the crystal structure, shape, surface and optical properties of ZnO nanopowders. Zinc oxide nanopowders are fabricated via simple, cost-effective, low-temperature, the sol-gel method using different zinc precursors such as zinc nitrate and zinc chloride. The structural properties of the obtained ZnO nanopowders are studied using X-ray diffraction spectra and their morphology from SEM micrographs. Further, Fourier transform infrared spectra reveals the existence of functional groups that supports the formation of zinc oxide. Moreover, optical absorption and emission of ZnO nanopowders were evaluate during ultraviolet-visible and photoluminescence spectra. The results of this study revealed that the precursor is significant in altering the crystallite size, shape, optical absorption and emission entities of nanopowders. In addition, the role of zinc precursors to fabricate nanopowders that is suitable for various optoelectronic device applications were also discussed.
Younis Rauf Dildar's Diary Between Biographies and Novelism
Authors: Abdulah Mohammed A. , Ghareeb Lanja A.
Published: June 2019

The emergence of writing biographies among Kurds has long history which began in the late of 19th century. Thus, started with Wafaey in 1895 who wrote down his biography but this wasn’t developed until the 90s of twentieth century and their number was countable. After 90s, writing biographies was focused more and developed. This investigation tries to care about biography and its title is (Younis Rauf –Dildar-'s diary between biographies and novelism). Due to lack of scientific investigation about biography in general and having no academic research specifically for Dildar and the importance of this biography in Kurdish literature was among the major reasons for choosing this topic. This article is specified for personal biography of Younis Rauf (Dildar). Although it is a personal biography, it is a highly texted literature and tries to specify the mechanisms which makes this biography to seem as a novel. The field of this investigation is two literature genre which are novel and personal biography.
Impacts of Capital Structure on Bank Performance
Authors: Ibrahim Sardar SH.
Published: June 2019

Purpose: This study studies the effect of capital structure on the performance of some Iraqi private banks. Six banks based in Iraq namely: Babylon Bank, Investment Bank, Credit Bank, Commercial Bank, Sharq Al-Awsat Bank, and Baghdad Bank were selected for the present study over the period 2005 to 2015. Methodology: Annual reports of these banks were studied and relevant ratios were calculated. The variables that were identified as independent for capital structure were total debt to capital, bank size and asset growth, while return on assets and return on equity were considered to be dependent variables for bank performance. The panel Least Square model has been used to examine the impact of capital structure on bank performance. Findings:  Outcomes indicate that none of the independent variables has a significant impact on return on assets (ROA), while total debt to capital (TDC) has a positive impact on return on equity (ROE). Reduction: Depending on this result, Iraqi banks should keep sufficient amount of capital to avoid any financial risks and increase the probability of survival.
Colour-Related Idiomatic Expressions in English and Kurdish
Authors: Kareem Najat O.
Published: June 2019

Colour is a powerful communication tool and can convey different positive and negative messages. Apart from their denotative meanings, colours have different connotations in different languages and cultures. Many of these connotations are very clearly observed in their use of colour idiomatic expressions.  This study explores the different meanings and connotations of the basic colour terms and their usage in idiomatic expressions in English and Kurdish to find out areas of similarity and difference between them.  To this end data were collected from different English dictionaries and from English idiom dictionaries; while for the Kurdish idiomatic expressions data were collected from Kurdish idiom booklets and sources (See methodology 4.1 &4.2). The findings obtained from the analysis of the data show that despite similarities in the number of the basic colour terms and their general meanings and connotations in the two languages, the symbolic use of the colour terms in idiomatic expressions is, to a great extent, culture and language specific.
جماليات المنافرة في أسلوب مسعود محمد
Authors: Ayoob Dhiya A.
Published: June 2019

تناولت الدراسة جانبًا فنيًا مهمًا في تجربة الكاتب الكوردي مسعود محمد ولا سيَّما في كتابه(اعادة التوازن إلى ميزان مختل)، تمثَّل في ظاهرة المنافرة التي استثمر الكاتب تجلياتها الفنية، وفاعليتها الدلالية، وأبعادها الجمالية، لتشكيل لغته على نحو يكسبها طاقات إيحائية، وإمكانات تعبيرية، قادرة على تجسيد رؤيته التجديدية، والإيحاء بحالاته الانفعالية،، إذ ينزع نصُّه إلى تحقيق هويته من خلال الاختلاف عن الخطاب الشائع، والتعالي على مرتكزات التعبير التقليدي، وتمثَّلت تلك التجليات بالمنافرة بين المضاف والمضاف إليه، وبين الصفة وموصوفها، وبين المسند والمسند إليه.  وقد شكَّلت نصوص مسعود محمد خرقا لافتا في بناء لغته عن طريق المنافرة، ويتجلى المظهر الأبرز من مظاهرها في أشكال متعددة تأتي في مقدمتها الاضافة، إذ طغى هذا النمط من المنافرة على بقية الأنواع، وأسهم في بناء نصوص الكاتب، وإعلاء شعريتها، وتدعيم الدوال بمدلولات جديدة. وحرص الكاتب على توليد دلالات جديدة للمفردات في إحداثه تشكيلات متميزة عن سابقاتها عن طريق التنافر بين الصفة وموصوفها. وسعت المنافرة بين المسند والمسند إليه في أسلوب مسعود محمد _على الرغم من قلتها-إلى تجديد الوظائف النحوية المألوفة، وتحقيق قدر عال من التطور الدلالي، واكساب النص خصوبة دلالية منبثقة عن تباعد الأطراف، أو عدم تجانسها، وهذا يفسح المجال واسعا أمام آفاق تأويلية متجددة، لتحقيق قدر عالٍ من الشعرية.
Financial deepening in a two-sector endogenous growth model with productivity heterogeneity
Authors: Nguyen Quoc Hung
Published: June 2019

This paper studies the effects of financial deepening and fiscal policy on human capital formation, working hours and growth in a model with financial frictions and productivity heterogeneity. The paper first shows that in the range of capital tax rates that attains a balanced growth path, taxation exerts inverted U-shaped effects on growth. The paper then analytically derives and shows that the growth maximizing tax rate and the corresponding growth are increasing concave functions of the financial deepening level. Finally, it is shown that theoretical predictions of the model are in line with data from OECD countries.
Is unemployment on steroids in advanced economies?
Authors: Bella Gabriel Di , Grigoli Francesco , Ramírez Francisco
Published: June 2019

Conventional macroeconomic theory is based on the idea that demand shocks can only have temporary effects on unemployment, however several European economies display highly persistent unemployment dynamics. The theory of hysteresis points out that, under certain conditions, demand disturbances can have permanent effects. We find strong evidence of unemployment hysteresis in advanced economies since the 1990s. Relying on an identification scheme instigated by an insider/outsider model, we exploit the heterogeneity in impulse responses to demand shocks to investigate what labor institutions soften or amplify these responses. Our results indicate that strengthening labor institutions that promote a faster adjustment of real wages, removing disincentives for firms to hire and for workers to be employed, and improving the matching between labor supply and demand can lessen the effects of adverse demand shocks and lead to a faster reversion of unemployment rates to pre-shock levels.
IT-Kernkompetenzen im Bachelorstudiengang „Informationswissenschaften“ an der Hochschule der Medien Stuttgart
Authors: Pfeffer Magnus
Published: July 2019

Die Lehrangebote im Bereich der informationstechnischen Grundlagen im Studiengang „Informationswissenschaften“ an der HdM Stuttgart wurden in den vergangenen Jahren grundlegend überarbeitet und völlig neu strukturiert. Sie werden nun im „flipped classroom“ Modell unterrichtet und adressieren neben fachlichen Inhalten wie Programmierung, Datenstrukturen und -verarbeitung sowie webbasierte Angebote auch nicht-fachliche Kompetenzen wie Frustrationstoleranz im Umgang mit IT, eigenständiges Arbeiten und Lernen sowie allgemeine Problemlösungsstrategien. Das Konzept konnte erfolgreich im Lehrbetrieb umgesetzt werden und wird im neu angebotenen Schwerpunkt „Daten- und Informationsmanagement“ des Studiengangs weiter ausgebaut.
A comparative analysis of the organic and inorganic carbon content of Halimeda and Penicillus (Chlorophyta, Bryopsidales) in a coastal subtropical lagoon
Authors: Hatt Danielle Catherine , Collado-Vides Ligia
Published: June 2019

Standing stocks of the calcifying algae, Halimeda and Penicillus, have remained stable over the 10 years surveyed (2007–2017) in Florida Bay (USA), a subtropical lagoon. The maximum contribution of calcium carbonate (CaCO3; 779.75 g m−2) was lower compared to tropical lagoons. Halimeda was more abundant and had higher inorganic:organic carbon ratios compared to Penicillus. The abundance of Penicillus varied across the surveyed sites, Sprigger Bank, Bob Allen Keys, and Duck Key, while its inorganic:organic carbon ratios did not vary significantly. Our long-term study provides a critical baseline that can help understand fluctuations in carbonate sediment production by calcareous algae in subtropical coastal waters.
Enhanced oral bioavailability of linagliptin by the influence of gallic acid and ellagic acid in male Wistar albino rats: involvement of p-glycoprotein inhibition
Authors: Shaik Munthaj , Vanapatla Swaroopa Rani
Published: June 2019

Background

Linagliptin is an antidiabetic drug used for the treatment of type-2 diabetes. The oral bioavailability of linagliptin is low (29.5%) due to its first pass metabolism in the intestine and liver. Gallic acid and ellagic acid are natural polyphenols which are widely distributed in fruits and medicinal plants. Gallic acid and ellagic acid have been reported to inhibit p-glycoprotein (p-gp) and enhance the bioavailability of p-gp substrate drugs. Hence, the purpose of the study was to evaluate the effect of gallic acid and ellagic acid on intestinal transport and bioavailability of linagliptin, a p-gp substrate in diabetic rats.

Methods

The intestinal transport of linagliptin was assessed by conducting anin situsingle-pass intestinal perfusion study. The oral pharmacokinetics was evaluated by conducting oral bioavailability study in diabetic rats.

Results

After pretreatment with gallic acid and ellagic acid, no significant change in effective permeability of linagliptin was observed at the ileum part of the rat intestine. A significant improvement in the peak serum concentration (Cmax) and area under the serum concentration time profile (AUC), AUMC, AUCtotaland decrease in clearance were observed in rats pretreated with gallic acid and ellagic acid.

Conclusions

This study demonstrates that gallic acid and ellagic acids increase the bioavailability of oral linagliptin in rats due to the inhibition of p-gp. These animal data need to be confirmed in a clinical setting to determine whether linagliptin dosing should be adjusted when given concomitantly with these phytochemicals or gallic acid/ellagic acid-containing dietary supplements.
Balancing confidence and humility in the diagnostic process
Authors: Wu Jianni , Lowenstein Eve
Published: June 2019

Humility in medicine can be difficult to achieve, yet arguably is one of the most important competencies to master. Overconfidence, on the contrary, is a natural tendency, having established its roots in evolution where quicker and more confident decisions likely conferred a selective advantage. Moreover, humility may evoke an image of weakness and vulnerability, antithetical to contemporary medicine, whose culture is dominated by overconfidence. Nevertheless, humility can be learned, and is important because overconfident behavior can be detrimental to our patients medically, psychosocially and legally, when it results in delayed or missed diagnoses. To achieve humility requires a great deal of metacognition, normalizing doubt and not being afraid to utilize tools that may feel beneath us. To practice humility requires strength and emotional resilience. In this paper we explore the definitions, roles and implications of humility in medicine, and we pose suggestions of how to accomplish this in the diagnostic process.
The lysosomal aminopeptidase tripeptidyl peptidase 1 displays increased activity in malignant pancreatic cysts
Authors: Ivry Sam L. , Knudsen Giselle M. , Caiazza Francesco , Sharib Jeremy M. , Jaradeh Katrin , Ravalin Matthew , O’Donoghue Anthony J. , Kirkwood Kimberly S. , Craik Charles S.
Published: June 2019

Incidental detection of pancreatic cysts has increased dramatically over the last decade, but risk stratification and clinical management remain a challenge. Mucinous cysts are precursor lesions to pancreatic cancer, however, the majority are indolent. Current diagnostics cannot identify mucinous cysts that harbor cancer or reliably differentiate these lesions from nonmucinous cysts, which present minimal risk of malignant progression. We previously determined that activity of two aspartyl proteases was increased in mucinous cysts. Using a global protease activity profiling technology, termed multiplex substrate profiling by mass spectrometry (MSP-MS), we now show that aminopeptidase activity is also elevated in mucinous cysts. The serine aminopeptidase, tripeptidyl peptidase 1 (TPP1), was detected by proteomic analysis of cyst fluid samples and quantitation using targeted MS demonstrated that this protease was significantly more abundant in mucinous cysts. In a cohort of 110 cyst fluid samples, TPP1 activity was increased more than 3-fold in mucinous cysts relative to nonmucinous cysts. Moreover, TPP1 activity is primarily associated with mucinous cysts that harbor high-grade dysplasia or invasive carcinoma. Although only 59% accurate for differentiating these lesions, measurement of TPP1 activity may improve early detection and treatment of high-risk pancreatic cysts when used in conjunction with other promising biomarkers.
Homo- and heterodimerization is a common feature of the solute carrier family SLC10 members
Authors: Noppes Saskia , Müller Simon Franz , Bennien Josefine , Holtemeyer Matthias , Palatini Massimo , Leidolf Regina , Alber Jörg , Geyer Joachim
Published: June 2019

The solute carrier family SLC10 consists of seven members, including the bile acid transporters Na+/taurocholate co-transporting polypeptide (NTCP) and apical sodium-dependent bile acid transporter (ASBT), the steroid sulfate transporter SOAT as well as four orphan carriers (SLC10A3, SLC10A4, SLC10A5 and SLC10A7). Previously, homodimerization of NTCP, ASBT and SOAT was described and there is increasing evidence that carrier oligomerization is an important regulatory factor for protein sorting and transport function. In the present study, homo- and heterodimerization were systematically analyzed among all SLC10 carriers (except for SLC10A3) using the yeast-two-hybrid membrane protein system. Strong homodimerization occurred for NTCP/NTCP, ASBT/ASBT and SLC10A7/SLC10A7. Heterodimerization was observed for most of the SLC10 carrier combinations. Heterodimerization of NTCP was additionally investigated by co-localization of NTCP-GFP and NTCP-mScarlet with respective SLC10 carrier constructs. NTCP co-localized with SLC10A4, SLC10A5, SOAT and SLC10A7. This co-localization was most pronounced for SLC10A4 and was additionally confirmed by co-immunoprecipitation. Interestingly, SLC10 carrier co-expression decreased the taurocholate transport function of NTCP for most of the analyzed constructs, indicating that SLC10 carrier heterodimerization is of functional relevance. In conclusion, homo- and heterodimerization is a common feature of the SLC10 carriers. The relevance of this finding for regulation and transport function of the SLC10 carriers in vivo needs further investigation.
Regulating the development of pulmonary Group 2 innate lymphoid cells
Authors: Helfrich Sofia , Duerr Claudia U.
Published: June 2019

Group 2 innate lymphoid cells (ILC2s) are members of the family of innate lymphoid cells and are innately committed to type 2 immune responses. In the lungs, ILC2s are the predominant population of innate lymphoid cells (ILCs) and their development is orchestrated by several different transcription factors ensuring lineage commitment by intrinsic regulation. ILC2s are present in the lungs from the foetal period onwards and are thus exposed to extrinsic regulation due to the airways’ continuous morphological changes upon birth. In this review, we will briefly summarise the dependence of ILC2s on transcription factors and discuss recently described characteristics and function of early life ILC2s in the lungs.
Cushing disease in a patient with nonbullous congenital ichthyosiform erythroderma: lessons in avoiding glucocorticoids in ichthyosis
Authors: Hartley Iris R. , Costa Beber Nunes Julia , Lodish Maya , Stratakis Constantine A.
Published: June 2019

Nonbullous congenital ichthyosis erythroderma (CIE) is an autosomal recessive disorder of ineffective keratinization. We present a unique case of a 16-year-old female with CIE who developed Cushing disease (CD) at age 13 with concomitant worsening of her skin disease. After transsphenoidal resection of her pituitary adenoma, she had both resolution of her Cushing symptoms and significantly milder skin manifestations of her CIE. To the best of our knowledge, this is the first reported case of a patient with both CD and CIE, one that is important in demonstrating the role of glucocorticoids in this disorder.
Synthesis and biological evaluation of Piroxicam derivative as a lead chelator
Authors: Hosseini Sayed Masoud , Imani Ali , Rahimzadegan Milad , Mohammadi Saeid , Golaghaei Alireza
Published: June 2019

Lead as a potent environmental and occupational pollutant, exerts its toxic effect mainly through oxidative stress induction. Currently, chelation therapy is the only medical management of metal intoxications in clinic, but its administration is associated with various side effects as well. In this study the protective effect of synthetized Piroxicam derivative was evaluated against lead toxicity in vitro. First the chelating activity of Piroxicam derivative was studied through Jobs method and 13C{1H} NMR spectroscopy. Then the cytoprotective effect of Piroxicam derivative (10, 20, 50, 100 and 200 μg/mL) was evaluated and compared with that of EDTA (30 μg/mL) in the presence of lead nitrate (30 μg/mL). The EC50 value of Piroxicam derivative was calculated as well. Finally, the chelation efficacy and antioxidant effects of Piroxicam derivative in EC50 and 2EC50 values was assessed and compared with that of EDTA. Results showed that Piroxicam derivative chelates lead ion as much as EDTA. Moreover, Piroxicam derivative prevented lead-induced cells death more effectively than EDTA which is may due to its potent innate antioxidant activity. In conclusion, the synthetized Piroxicam derivative with possessing potent chelating activity as well as potent antioxidant activity, could be considered as potential drug target in management of toxic metals poisoning.
The stabilities and geometries of Re-encapsulated Sin(n=16, 20, 24, 28, 32, 36, and 40) clusters: A computational investigation
Authors: Zhao Run-Ning , Chen Rui , Lin Fan , Sun Zhen-Wu
Published: June 2019

Geometry optimization of the mixed SinRe (n=12, 16, 20, 24, 28, 32, 36, and 40) cages with doublet, quartet, and sextet spin configurations is carried out systematically at the UHF/LanL2DZ level. Equilibrium structures, total energies, and stabilities of Re@Sin cages are presented and discussed. The calculated results show that all Re@Sin cages of highest symmetry undergo slight distortion into much more stable structures of lower symmetry. The Re atom in the Re@Sin (n=12, 16, 20, 24, 28, 32, 36, and 40) cages deviates from the cage center site of Sin fullerenes. Charge-transfer between Re and Si atoms makes a contribution to the stability of the Sin fullerenes; In addition, the relative stability is discussed, the most stable geometry is assigned.
Bio-inspired plasmonic leaf for enhanced light-matter interactions
Authors: Liu Changxu , Mao Peng , Guo Qinghua , Han Min , Zhang Shuang
Published: June 2019

The mathematical concept of fractals is widely applied to photonics as planar structures ranging from terahertz resonators, optical antennas, to photodetectors. Here, instead of a direct mathematical abstract, we design a plasmonic leaf with fractal geometry from the outline of a leaf from Wargrave Pink. The enhanced light-matter interactions are observed numerically from the improvement in both absorption and near-field intensification. To demonstrate the effect experimentally, a three-dimensional fractal structure is realised through direct laser writing, which significantly improves the photothermal conversion. By virtue of the self-similarity in geometry, the artificial leaf improves the absorption of a 10-nm-thick gold film with 14 ×  temperature increment compared to flat Au film. Not limited to the proof-of-concept photothermal experiment demonstrated here, the fractal structure with improved light-matter interactions can be utilised in a variety of applications ranging from non-linear harmonic generation, plasmonic-enhanced fluorescence, to hot electron generation for photocatalysis.
On the modeling of tensile index from larger data sets
Authors: Karlström Anders , Johansson Lars , Hill Jan
Published: June 2019

The objective of this study is to analyze and foresee potential outliers in pulp and handsheet properties for larger data sets. The method is divided into two parts comprising a generalized Extreme Studentized Deviate (ESD) procedure for laboratory data followed by an analysis of the findings using a multivariable model based on internal variables (i. e. process variables like consistency and fiber residence time inside the refiner) as predictors. The process data used in this has been obtained from CD-82 refiners and from a laboratory test program perspective, the test series were extensive. In the procedure more than 290 samples were analyzed to get a stable outlier detection. Note, this set was obtained from pulp at one specific operating condition. When comparing such “secured data sets” with process data it is shown that an extended procedure must be performed to get data sets which cover different operating points. Here 100 pulp samples at different process conditions were analyzed. It is shown that only about 60 percent of all tensile index measurements were accepted in the procedure which indicates the need to oversample when performing extensive trials to get reliable pulp and handsheet properties in TMP and CTMP processes.
The Jahn-Teller effect in mixed aqueous solution: the solvation of Cu2+ in 18.6% aqueous ammonia obtained from ab initio quantum mechanical charge field molecular dynamics
Authors: Saputri Wahyu Dita , Wijaya Karna , Pranowo Harno Dwi , Hofer Thomas S.
Published: June 2019

The solvation structure and dynamics of Cu2+ in 18.6 % aqueous ammonia have been investigated using an ab initio quantum mechanical charge field molecular dynamics (QMCF MD) simulation approach at the Hartree–Fock (HF) level of theory applying the LANL2DZ ECP and Dunning DZP basis sets for Cu2+, ammonia and water, respectively. During a simulation time of 20 ps, only NH3 molecules are observed within the first solvation shell of Cu2+, resulting in the formation of an octahedral [Cu(NH3)6]2+ complex. While no exchange of these ligands with the second solvation shell are observed along the simulation, the monitoring of the associated N-Ntrans distances highlight the dynamics of the associated Jahn-Teller distortions, showing on average 2 elongated axial (2.19 Å) and 4 equatorial Cu–N bonds (2.39 Å). The observed structural properties are found in excellent agreement with experimental studies. In addition, an NBO analysis was carried out, confirming the strong electrostatic character of the Cu2+–NH3 interaction.
An overview of tools, software, and methods for natural product fragment and mass spectral analysis
Authors: Moumbock Aurélien F. A. , Ntie-Kang Fidele , Akone Sergi H. , Li Jianyu , Gao Mingjie , Telukunta Kiran K. , Günther Stefan
Published: June 2019

One major challenge in natural product (NP) discovery is the determination of the chemical structure of unknown metabolites using automated software tools from either GC–mass spectrometry (MS) or liquid chromatography–MS/MS data only. This chapter reviews the existing spectral libraries and predictive computational tools used in MS-based untargeted metabolomics, which is currently a hot topic in NP structure elucidation. We begin by focusing on spectral databases and the general workflow of MS annotation. We then describe software and tools used in MS, particularly those used to predict fragmentation patterns, mass spectral classifiers, and tools for fragmentation trees analysis. We then round up the chapter by looking at more advanced approaches implemented in tools for competitive fragmentation modeling and quantum chemical approaches.
Mass transfer in falling film microreactors: measurement techniques and effect of operational parameters
Authors: Mohammed Ali Alhafiz , Lokhat David
Published: June 2019

Falling film microreactors have contributed to the pursuit of process intensification strategies and have, over the years, been recognized for their potential in performing demanding reactions. In the last few decades, modifications in the measurement techniques and operational parameters of these microstructured devices have been the focus of many research studies with a common target on process improvement. In this work, we present a review dedicated to falling film microreactors, focusing on the recent advances in their design and operation, with particular emphasis on mass transfer enhancement. Analysis of the recent techniques for the measurement of mass transfer as well as the operational parameters used and their effect on the target objective, particularly in the liquid phase (being the limiting phase reactant), are included in the review. The relationship between the hydrodynamics of falling thin liquid films and the microreactor design, the discrepancies between measured and model results, the major challenges, and the future outlook for these promising microreactors are also presented.
Analysis of the effect of DEK overexpression on the survival and proliferation of bone marrow stromal cells
Authors: Çakar Türkan , Kandilci Ayten
Published: June 2019

Objective

DEK is ubiquitously expressed and encodes a nuclear protein, which is also released from some cells. Overexpression of DEK suppresses proliferation of some blood cell progenitors whereas it increases proliferation of epithelial tumors. We showed that DEK is overexpressed in BM cells of 12% of multiple myeloma (MM) patients. Here, we aimed to test if DEK overexpression effects the proliferation and viability of BM stromal cells or MM cells co-cultured with DEK-overexpressing stromal cells, mimicking the BM microenvironment.

Methods

DEK is stably overexpressed in the BM stromal cell line HS27A. Periodic growth curve and fluorescent activated cell sorting (FACS) analysis was performed to determine the effect of DEK overexpression on HS27A cells and MM cell lines (RPMI-8226 and U266) that are co-cultured with these HS27A cells.

Results

We showed that, on the contrary to blood progenitors or ephitelial cells, DEK overexpression doesn’t alter the viability or proliferation of the HS27A cells, or the MM cell lines which are co-cultured with DEK-overexpressing HS27A cells.

Conclusions

Our results suggest that effect of DEK overexpression on the proliferation is cell type and context dependent and increased DEK expression is tolerable by the stromal cells and the co-cultured MM cell lines without effecting proliferation and viability.
Assessment of Flexural and Splitting Strength of Fiber-Reinforced Concrete Using Artificial Intelligence
Authors: Paul Suvash Chandra , Panda Biranchi , Liu Junwei , Zhu Hong-Hu , Kumar Himanshu , Bordoloi Sanandam , Garg Ankit
Published: June 2019

Flexural and splitting strength behavior of conventional concrete can be significantly improved by incorporating fibers into it. A significant number of research studies have been conducted on various types of fibers and their influence on the tensile capacity of concrete. However, as an important property, tensile capacity of fiber-reinforced concrete (FRC) is not modeled properly. Therefore, this article intends to formulate an artificial neural network (ANN) model based on experiments that show the relationship between the fiber properties such as the aspect ratio (length/diameter), fiber content, compressive strength, flexural strength, and splitting strength of FRC. For ANN modeling, various FRC mixes with only steel fiber are adopted from the existing research papers. An artificial intelligence approach such as artificial neural network (ANN) is developed and used to investigate the effect of input parameters such as fiber content, aspect ratio, and compressive strength to the output parameters of flexural and splitting strength of FRC. It is found that the ANN model can be used to predict the flexural and splitting strength of FRC with sensible precision.
Avaliação das apreensões e composição química de pasta base apreendidas em Recife – PE
Authors: Castro Neto Antonio Gome de , Silva Diogo Marques da , Freire Mialtyan Galindo , Silva Nadjane teixeira Ribeiro da
Published: June 2019

A cocaína é uma das drogas mais consumidas no mundo, sendo o Brasil uma importante rota do tráfico internacional de droga e também um grande mercado consumidor. As várias formas de apresentação da cocaína são feitas a partir da pasta base, a qual também pode ser consumida como droga de abuso. Por passar por diversos atravessadores a pasta base pode sofrer diversas adulterações até chegar ao seu destino final. O objetivo deste trabalho foi avaliar o perfil das apreensões de pasta base na cidade de Recife – PE no período de 2001 a 2015, tendo como base os dados do Instituto de Criminalística Prof. Armando Samico (ICPAS) e também determinar a composição química da droga. Os primeiros casos de apreensão de pasta base ocorreram no ano de 2006 e o ano de 2010 foi o ano que apresentou o maior número de casos de apreensão da droga. A composição química revelou que a pasta base possui em média 51% de cocaína na sua composição e a fenacetina foi o adulterante mais encontrado presente em 31% dos casos. As políticas públicas impactam diretamente nos resultados das apreensões de drogas, sobretudo de pasta base. Mudanças nas políticas de redução da demanda de drogas ao longo dos anos em Pernambuco ocasionou mudança nos perfis das apreensões. A determinação da composição química pode auxiliar tanto no combate ao tráfico como também no tratamento dos usuários de drogas.AbstractCocaine is one of the most consumed drugs in the world, being Brazil an important route of international drug trafficking and also a large consumer market. The many forms of cocaine presentation are made from cocaine base, which can also be consumed as an abuse drug. By passing through several crossings the cocaine base can undergo several adulterations until reaching its final destination. The objective of this work was to evaluate the profile of cocaine base seizures in the city of Recife – PE in the period from 2001 to 2015, based on data of the Institute of Criminalistics Prof. Armando Samico (ICPAS) and also determine the drug chemical composition. The first cases cocaine base seizures occurred in the year of 2006 and the year 2010 presented the largest number of drug seizure cases. Chemical composition revealed that cocaine base has on average 51% cocaine in its composition and phenacetin was the most commonly found adulterant present in 31% of the cases. Public policies have a direct impact on the results of drug seizures, especially of cocaine base. Changes in drug demand reduction policies over the years in Pernambuco have caused changes in seizure patterns. Determination of chemical composition can help both in combating drug trafficking and in drug users treatment.
Practice and Exploration of Cultivating Students’ Critical Thinking by Using Problem-Based Learning
Authors: Wu Jianguo , Wang Weiwei
Published: June 2019

Currently, the English teaching at elementary schools in China is generally lack of training of students’ thinking ability. However, critical thinking is the most important and valuable ability for learning. In order to develop students’ critical thinking skill, teachers introduced problem-based learning into English teaching at elementary schools by taking three stages as setting prior-, during-, and post-reading as an example, explored students’ critical thinking ability through creating a questioning atmosphere, setting up a thinking platform, and improving the quality of problems. Our practical performance showed that problem-based learning can significantly improve students’ thinking quality.
How to Achieve a Balance between Teacher-Lead and Student-Independent Inquiry in A Digital Class?- A Case Study Based on Chinese Middle School Mathematics Teaching
Authors: Feng Yuejiao
Published: June 2019

How to integrate digital information technology into classroom is not only a challenge, but also a test for both teaching and learning. Getting involvement of digital information technology into classroom extends students’ learning in time and space, and alters teachers’ teaching status. However, how can we achieve a balance between teacher-led and student-independent inquiry in a digital classroom? I hereby used “Reviewing the Image and Nature of Quadratic Function” as an example, compared and recorded the behavioral performance and results of teachers and students in an experimental comparison, and found that both teachers’ leading and students’ independent inquiring were indispensable, and a balance between them was a must-be goal if a maximal teaching effectiveness was expected.