bluuebunny/crossref_metadata_2025 huggingface dataset:
Work engagement and burnout: Testing the theoretical continuums of identification and energy
Authors: Nimon Kim , Shuck Brad
Published: November 2019

Using meta‐analytic correlations from Cole et al. (2012), we conducted secondary data analysis to further explore the empirical overlap between measures of work engagement (Utretch Work Engagement Scale) and burnout (Maslach Burnout Inventory). We found that the dimensions of work engagement and burnout did not align with previously positioned theoretical continuums. In addition to finding a negative association between the aspects of dedication and inefficacy, we found that aspects of vigor and absorption were positively related to cynicism and exhaustion, respectively. We also found that very little of the shared variance between the measures of work engagement and burnout were the result of semantic equivalence between item sets.
Effectiveness of an oral versus sublingual loading dose of nifedipine for tocolysis
Authors: Leal‐Júnior Carlos C. , Amorim Melania M.R. , Souza Gustavo F.A. , Lima Anna K.S. , Souza Alex S.R.
Published: November 2019

Objective

To determine the effectiveness of an oral versus sublingual loading dose of nifedipine for tocolysis.

Methods

An open, randomized clinical trial conducted between March 1, 2013, and April 31, 2014. Participants were pregnant women with a diagnosis of premature labor, single live fetus, topical pregnancy, gestational age 24–36 weeks, normal fetal vitality, cervical dilatation less than or equal to 4 cm, cervical effacement less than or equal to 80%, and intact amniotic membranes. They were randomized into two groups, oral and sublingual nifedipine, 20 mg loading dose, repeated every 30 minutes (maximum dose of 60 mg). The primary endpoint was the time until tocolysis and the secondary endpoints were the effectiveness of tocolysis within 90 minutes, 12 hours, and 48 hours; premature delivery within 48 hours; and maternal hemodynamic parameters and side effects.

Results

There were 80 patients randomized to oral (n=40) and sublingual (n=40) nifedipine. The time required for tocolysis was significantly less with sublingual nifedipine (160 minutes vs 340 minutes; P=0.0003). Sublingual nifedipine was also more successful than oral nifedipine at inhibiting premature labor within 90 minutes (n=8 [20.0%] vs n=1 [2.5%], P=0.014). There was no statistically significant difference between the groups for the other secondary endpoints.

Conclusion

Compared with oral administration, a sublingual loading dose of nifedipine resulted in faster tocolysis in patients with premature labor.

Brazilian Clinical Trials Registry (ReBEC): U1111‐11566186.
Designing laser‐modified surface structures on titanium alloy custom medical implants using a hybrid manufacturing technology
Authors: Komorowski Piotr , Sokołowska Paulina , Siatkowska Małgorzata , Elgalal Marcin , Rosowski Marcin , Makowski Krzysztof , Lipińska Lidia , Leszczewicz Martyna , Styczyński Andrzej , Fogel Kasper , Walkowiak Bogdan
Published: November 2019

The hybrid technology combines an efficient material‐removal process and implant surface treatment by the laser reducing time of manufacture process compared to currently used machining technologies. It also permits precise structuring of the implant material surface. Six structures of the Ti6Al4V ELI surface were designed and studied how the structure topography prepared with the hybrid technology affected the Escherichia coli adhesion to the surface and viability, as well as the growth, adhesion, and viability of human osteogenic Saos‐2 cells cultured on the investigated surfaces. Results have confirmed that the microtopography of medical titanium alloy plays a beneficial role in bacterial adhesion and viability (number of bacteria found on reference surface: [5.9 ± 0.44] × 106 CFU/ml, sample no. 3: [8.8 ± 0.93] × 104 CFU/ml, and sample no. 5: [1.2 ± 0.23] × 107 CFU/ml; CFU ‐ Colony Forming Unit). All tested structured surfaces enabled good cell attachment and proliferation of Saos‐2 cells (viability of Saos‐2 cells [% of control] for reference surface: 81.93%; sample no. 3: 75% and sample no. 5: 100%). Transcriptome analysis of genes commonly expressed in the process of osseointegration demonstrated that the use of hybrid technology allows designing structures that enhance osseointegration but it should be coupled with other methods of preventing bacterial growth, or with a different strategy to limit microbial colonization with the satisfactory osseointegration potential.
Synthesis of 2,3‐dihydroquinazolin‐4(1H)‐ones in the presence of Fe3O4@nano‐cellulose–OPO3H as a bio‐based magnetic nanocatalyst
Authors: Mirjalili Bi Bi Fatemeh , Zaghaghi Zahra , Monfared Aazam
Published: November 2019

In this research, we have used Fe3O4@nano‐cellulose–OPO3H as magnetic bio‐based nanocatalyst for the synthesis of 2,3‐dihydroquinazolin‐4(1H)‐ones via condensation of 2‐aminobenzamide and different aldehydes. The major advantages of the present methodology are good yields, ecofriendly catalyst, and easy workup.
Practical application of Six Sigma management in analytical biochemistry processes in clinical settings
Authors: Zhou Bingfei , Wu Yi , He Hanlin , Li Cunyan , Tan Liming , Cao Youde
Published: November 2019

Background

Six Sigma methodology with a zero‐defect goal has long been applied in commercial settings and was utilized in this study to assure/improve the quality of various analytes.

Methods

Daily internal quality control (QC) and external quality assessment data were collected and analyzed by calculating the sigma (σ) values for 19 analytes based on the coefficient of variation, bias, and total error allowable. Standardized QC sigma charts were established with these parameters. Quality goal index (QGI) analysis and root cause analysis (RCA) were used to discover potential problems for the analytes.

Results

Five analytes with σ ≥ 6 achieved world‐class performance, and only the Westgard rule (13s) with one control measurement at two QC material levels (N2) per QC event and a run size of 1000 patient samples between QC events (R1000) was needed for QC. In contrast, more control rules (22s/R4s/41s) along with high N values and low R values were needed for quality assurance for five analytes with 4 ≤ σ < 6. However, the sigma levels of nine analytes were σ < 4 at one or more QC levels, and a more rigorous QC procedure (13s/22s/R4s/41s/8x with N4 and R45) was implemented. The combination of QGI analysis and RCA further revealed inaccuracy or imprecision problems for these analytes with σ < 4 and discovered five aspects of potential causes considered for quality improvement.

Conclusions

Six Sigma methodology is an effective tool for evaluating the performance of biochemical analytes and is conducive to quality assurance and improvement.
A tumor suppressor DLC1: The functions and signal pathways
Authors: Zhang Yang , Li Guorong
Published: November 2019

Deleted in liver cancer‐1 (DLC1), a potential tumor suppressor, acts as a GTPase‐activating protein for Rho family members. In many human cancers, the DLC1 expression is frequently downregulated or inactivated, which allows cancer cells to proliferate and disseminate. In this review, we describe the characteristics and other members of the DLC1 family and delineate the signal pathways DLC1 involved in regulating cancer cell growth, colony formation, apoptosis, senescence, autophagy, migration and invasion. In addition, we explore the clinical data of DLC1 and the mechanisms that natural products upregulate the DLC1 expression to inhibit cancer. Despite these insights, many important unanswered questions remain about the exact mechanisms of DLC1‐mediated cancer suppression.
Oxidative properties of Moringa oleifera kernel oil from different extraction methods during storage
Authors: Mat Yusoff Masni , Niranjan Keshavan , Mason Onyinye A. , Gordon Michael H.
Published: November 2019

BACKGROUND

Moringa oleifera (MO) kernel oil is categorized as a high‐oleic oil that resembles olive oil. However, unlike olive trees, MO trees are largely present in most subtropical and tropical countries. In these countries, therefore, the benefits of oleic acid can be obtained at a cheaper price through the consumption of MO kernel oil. This study reports on the effect of different extraction methods on oxidative properties of MO kernel oil during storage for 140 days at 13, 25, and 37 °C.

RESULTS

All aqueous enzymatic extraction (AEE)‐based methods generally resulted in oil with better oxidative properties and higher tocopherol retention than the use of solvent. Prior to AEE, boiling pre‐treatment deactivated the hydrolytic enzymes and preserved the oil's quality. In contrast, high‐pressure processing (HPP) pre‐treatment accelerated hydrolytic reaction and resulted in an increase in free fatty acids after 140 days at all temperatures. No significant changes were detected in the oils' iodine values and fatty acid composition. The tocopherol content decreased significantly at both 13 and 25 °C after 60 days in the oil from SE method, and after 120 days in oils from AEE‐based methods.

CONCLUSION

These findings are significant in highlighting the extraction methods resulting in crude MO kernel oil with greatest oxidative stability in the storage conditions tested. Subsequently, the suitable storage condition of the oil prior to refining can be determined. Further studies are recommended in determining the suitable refining processes and parameters for the MO kernel oil prior to application in variety food products. © 2019 Society of Chemical Industry
Human primary middle ear epithelial cell culture: A novel in vitro model to study otitis media
Authors: Chen Yajun , Val Stéphanie , Krueger Anna , Zhong Lydia , Panigrahi Aswini , Nino Gustavo , Wolf Seth , Preciado Diego
Published: November 2019

Objectives

Otitis media (OM) is a ubiquitous pediatric disease leading to a significant health care burden. There is no medication beneficial to resolving COM fluid, highlighting the need for research in the field. Crucially, current human middle ear epithelial cell models are transformed cells not recapitulating physiological functions. Herein, we describe a new method to proliferate and differentiate pediatric primary middle ear epithelial cells (pMEEC) from patients as a physiological model for the study of OM.

Methods

We adapted a cell reprogramming protocol using irradiated fibroblast feeder medium in addition to Rho kinase inhibitor to proliferate pMEEC collected during cochlear implant surgery. Cells were plated on transwell membranes, proliferated with conditionally reprogrammed culture medium, and transferred to air–liquid interface (ALI). Cultures were maintained for 4 weeks at ALI, photos were taken and cell lysates and secretions were collected over time for characterization analysis using quantitative polymerase chain reaction, Western bolt, and proteomics. Keratins, MUC5B and MUC5AC mucins, and beta tubulin (TUBB) were analyzed at the mRNA and protein level.

Results

Cultures took a mean of 2 weeks to proliferate before transwell plating and forming a tight epithelium at ALI from 2 to 4 weeks. Although mRNA expression of MUC5B, MUC5AC, TUBB, and keratin 5 (KRT5) were variable depending on the differentiation stage and the patient, both TUBB and KRT5 proteins were detected until week 2.

Conclusion

We demonstrate a novel method to proliferate and differentiate pMEECs that express epithelial markers and that are able to secrete mucins for the study of OM.

Level of Evidence

NA
Effects of au naturel packaging colors on willingness to pay for healthy food
Authors: Marozzo Veronica , Raimondo Maria Antonietta , Miceli Gaetano “Nino” , Scopelliti Irene
Published: November 2019

This study introduces and defines a novel color family—au naturel colors—and proposes that featuring these hues on product packaging enhances consumer willingness to pay (WTP) for healthy food products, but not for unhealthy food products. This effect occurs irrespective of the fit between the colors of the product and of the packaging, and of the color lightness or saturation. Perceptions of product authenticity mediate the relationship between au naturel colors packaging and consumer WTP for the product. The results of seven studies provide support for the proposed conceptual framework, contributing to the literature on consumer responses to colors and packaging features, and allowing to draw implications for the marketing of healthy food products.
When open‐mindedness lowers product evaluations: Influencers to consumers’ response to religious cues in advertising
Authors: Minton Elizabeth A.
Published: November 2019

Prior research has examined response to Christian religious cues used in secular marketing messages but has inadequately explored the underlying reasons for such response as well as why religious cues may negatively influence product evaluations. These limitations are addressed in this research work through three studies utilizing religious cues. In Studies 1a and 1b, ads with a Christian or Muslim religious cue (no religious cue) were found to produce lower (higher) product evaluations. Studies 2–3 then examined why religious cues in ads can produce lower product evaluations to show that open‐mindedness moderated this effect (Study 2), and priming open‐mindedness also influenced this effect (Study 3). Most interestingly, open‐minded consumers were more negative toward religious cues in marketing communications than close‐minded consumers, and priming open‐mindedness magnified this effect. These novel effects are discussed in relation to the literature on open‐mindedness and value‐based consumption. Additionally, implications for research and practice are discussed.
Measurement Instruments to Assess Functional Mobility in Parkinson's Disease: A Systematic Review
Authors: Bouça‐Machado Raquel , Duarte Gonçalo S. , Patriarca Maria , Castro Caldas Ana , Alarcão Joana , Fernandes Ricardo M. , Mestre Tiago A. , Matias Ricardo , Ferreira Joaquim J.
Published: November 2019

Background

Functional mobility (FM) is a person's ability to move to accomplish activities of daily living; it bridges the concepts of mobility and functional ability. There is frequently a loss of FM in Parkinson's disease (PD). Several instruments have been used to assess this concept in PD; however, there is no consensus on which are the most appropriate.

Objective

We aimed to identify and critically appraise which measurement instruments have been used to assess FM.

Methods

A systematic review was conducted using the databases CENTRAL, MEDLINE, Embase, and PEDro from their inception to January 2019 to identify all observational and experimental studies conducted in PD or atypical parkinsonism that included an FM assessment. Two reviewers independently screened citations, extracted data, and assessed clinimetric properties.

Results

We included 95 studies that assessed FM in PD. Fifty‐five (57.9%) studies mentioned FM in the article, and 39 (41.1%) specified the measurement tools used to evaluate FM. FM was the primary outcome in 12 (12.6%) studies. The Timed Up and Go test was the most frequently used measurement tool. Only one study presented a definition of FM. Several overlapping terms were used, the most common being mobility.

Conclusion

Several studies reported the use of FM measurement tools in PD, though with frequent misconceptions, an inadequate context of use, or suboptimal assessment. We propose the establishment of the concept of FM applied to PD, followed by the adequate clinimetric validation of existing measurement tools to provide a comprehensive and reliable evaluation of FM in PD.
A qualitative study of how inter‐professional teamwork influences perioperative nursing
Authors: Holmes Thekla , Vifladt Anne , Ballangrud Randi
Published: November 2019

Aim

To explore Norwegian operating room nurses’ perceptions of how team skills in the inter‐professional operating room team influence perioperative nursing in relation to patient safety.

Design

A qualitative, descriptive study based on interviews.

Methods

Ten operating room nurses (N = 10) employed in four Norwegian hospitals were interviewed individually. A qualitative inductive content analysis was conducted. The study was reported adhering to the Consolidated Criteria for Reporting Qualitative Research Checklist.

Results

Three generic categories, containing three subcategories each, were identified illuminate the operating room nurses’ perceptions. The operating room team's team skills influence on (a) the quality of perioperative nursing, about task performance, result for the patient and learning; (b) the progress of perioperative nursing, by keeping focus on the task, being prepared and task distribution and (c) the operating room nurses’ work environment in the operating room, including confidence, stress and energy use and irritation or job satisfaction.
Liraglutide Lowers Body Weight Set Point in DIO Rats and its Relationship with Hypothalamic Microglia Activation
Authors: Liao Ting , Zhang Shan‐Lei , Yuan Xue , Mo Wen‐Qing , Wei Fang , Zhao Sheng‐Nan , Yang Wei , Liu Hong , Rong Xi
Published: November 2019

Objective

This study aimed to investigate the effects of liraglutide on the body weight set point (BWSP) in diet‐induced obese rats and to determine the relationship between BWSP and hypothalamic arcuate nucleus (ARC) microglial activation.

Methods

Diet‐induced obesity (DIO) rats were divided into three groups: continuous high‐fat diet (HFD) plus saline, HFD with liraglutide, and HFD with liraglutide pair feeding. Body weight, BWSP, inflammatory cytokines, suppressor of cytokine signaling 3, orexigenic/anorexigenic proteins, apoptosis, and microglia in the ARC were assessed. The effect of liraglutide on the Notch‐1 signaling pathway and its relationships with  nuclear factor‐κB and p38 mitogen‐activated protein kinase were also investigated in a lipopolysaccharide (LPS)‐induced microglia activation model.

Results

Liraglutide reduced BWSP; reversed adverse changes in hypothalamic inflammation, suppressor of cytokine signaling 3, and apoptosis; and diminished microgliosis in DIO rats. The BWSP showed a linear correlation with ARC microglial density. Liraglutide inhibited LPS‐induced M1 microglial polarization and promoted microglial polarization to the M2 phenotype, diminishing inflammatory cytokine expression. Liraglutide inhibited Notch‐1 signaling pathway activation and decreased nuclear factor‐κB and p38 mitogen‐activated protein kinase pathway activation in LPS‐stimulated microglia.

Conclusions

Liraglutide can reduce BWSP in DIO rats. There is a linear correlation between hypothalamic microgliosis and BWSP. Liraglutide reduces excessive microglial activation and inflammation, which may contribute to BWSP reduction.
The alternative complement pathway activation product Ba as a marker for transplant‐associated thrombotic microangiopathy
Authors: Sartain Sarah , Shubert Stacey , Wu Meng‐Fen , Wang Tao , Martinez Caridad
Published: November 2019

Background

Transplant‐associated thrombotic microangiopathy (TA‐TMA) occurs after hematopoietic stem cell transplantation (HSCT) and is characterized by microvascular thrombosis and end‐organ injury particularly of the kidneys. TA‐TMA is challenging to diagnose and treat, which can lead to long‐term complications and death in patients with severe disease. Studies have shown that genetic abnormalities of the alternative complement pathway (AP) are associated with TA‐TMA. We hypothesized that patients with TA‐TMA may generate elevated levels of the AP activation product, Ba, compared with HSCT patients without TA‐TMA.

Procedure

We longitudinally measured plasma levels of complement activation products C3a, Ba, and C5a in 14 HSCT patients: 7 with TA‐TMA and 7 without TA‐TMA. We assessed renal function by calculating estimated glomerular filtration rate (eGFR) and correlated the extent of AP activation with renal dysfunction in both patient populations.

Results

The median days from HSCT to study enrollment were 154 (39‐237) in the TA‐TMA group and 84 (39‐253) in the HSCT group without TA‐TMA. Median Ba levels (ng/mL) at enrollment were 1096.9 (826.5‐1562.0) in the TA‐TMA group and 725.7 (494.7‐818.9) in the HSCT group without TA‐TMA (P = 0.007). Over the study duration, Ba levels inversely correlated with eGFR. There were no differences in C3a, C5a, or sC5b9 levels between the two populations at any measured interval.

Conclusions

We conclude in this preliminary study that Ba protein may serve as a marker for TA‐TMA, and furthermore, that components generated in the early phase of AP activation may be involved in the pathogenesis of renal endothelial injury in TA‐TMA.
The Unique Synthesis of a Green Metal‐Free Primary Explosive: 3,3′‐azo‐5,5′‐diazido‐1,2,4‐triazole
Authors: Lei Cai‐jin , Yang Hong‐wei , Xiong Hua‐lin , Cheng Guang‐bin
Published: November 2019

The unique synthesis of 3‐azido‐5‐amino‐1,2,4‐triazole (1) and a possible reaction process were described. The target compound 3,3′‐azo‐5,5′‐diazido‐1,2,4‐triazole (2) was obtained by further coupling reaction of compound 1 with potassium permanganate. Compound 2 was well characterized by NMR spectra, IR spectroscopy, elemental analysis, differential scanning calorimetry (DSC), and single crystal X‐ray diffraction. The sensitivities towards impact and friction of 2 were characterized by BAM Fallhammer and BAM Friction. Compound 2 exhibited good density (1.68 g cm−3), good thermal stability (193 °C), high heat of formation (1345.1 kJ mol−1/5.468 kJ g−1), excellent detonation performance (26.7 GPa, 8345 m s−1 ) and acceptable sensitivity (IS=6 J, FS=72 N, EDS=0.224 J). Moreover, compound 2 was tested for its priming ability by detonating RDX. The result indicates that compound 2 could be used as a potential green metal‐free primary explosive.
Engineering the serpin α1‐antitrypsin: A diversity of goals and techniques
Authors: Scott Benjamin M. , Sheffield William P.
Published: November 2019

α1‐Antitrypsin (α1‐AT) serves as an archetypal example for the serine proteinase inhibitor (serpin) protein family and has been used as a scaffold for protein engineering for >35 years. Techniques used to engineer α1‐AT include targeted mutagenesis, protein fusions, phage display, glycoengineering, and consensus protein design. The goals of engineering have also been diverse, ranging from understanding serpin structure–function relationships, to the design of more potent or more specific proteinase inhibitors with potential therapeutic relevance. Here we summarize the history of these protein engineering efforts, describing the techniques applied to engineer α1‐AT, specific mutants of interest, and providing an appended catalog of the >200 α1‐AT mutants published to date.
Pharmacokinetic/pharmacodynamic modeling and simulation of dotinurad, a novel uricosuric agent, in healthy volunteers
Authors: Motoki Keisuke , Igarashi Takako , Omura Koichi , Nakatani Hiroshi , Iwanaga Takashi , Tamai Ikumi , Ohashi Tetsuo
Published: November 2019

This study aimed to investigate the pharmacokinetic and pharmacodynamic (PK/PD) profiles of dotinurad, a novel uricosuric agent, and to construct a PK/PD model to predict serum urate (SUA) levels after dotinurad administration in healthy men. PK/PD model was constructed using single‐dose study data considering the physiological features of urate handling. Model validation was performed by comparing the predicted SUA levels with the SUA levels in a multiple‐dose study. Dotinurad was absorbed rapidly, and its exposure increased proportionally in the tested dose ranges (0.5–20 mg) after a single‐dose administration. The PK model after oral administration was described using a one‐compartment model with first‐order absorption. Effects on SUA and renal urate excretion of dotinurad increased with dose escalation but were apparently saturable at a dose >5 mg. The simple maximal effect (Emax) model was selected as the PD model of dotinurad on renal urate reabsorption, resulting in an estimated Emax of 0.51. The plasma concentration at the half‐maximal effect of dotinurad was 196 ng/mL. Other PD parameters were calculated from the change in SUA level or urinary excretion of urate before and after dotinurad administration. The predicted SUA levels, using the PK/PD model, were well‐fitted with the observed values. The constructed PK/PD model of dotinurad appropriately described the profiles of dotinurad plasma concentrations and SUA level in multiple administration study.
Antidiabetic potential of anthraquinones: A review
Authors: Mohammed Aminu , Ibrahim Mohammed Auwal , Tajuddeen Nasir , Aliyu Abubakar Babando , Isah Murtala Bindawa
Published: November 2019

The present study was designed to review the antidiabetic potential of anthraquinones (AQs) with emphasis on the extent of blood glucose reduction, the half maximal inhibitory concentration values (in vitro studies), the proposed mechanisms of action, and the structure activity relationship studies. We sourced relevant data from the major scientific databases (Pubmed, Science Direct, Medline, and Google Scholar). According to our search, 25 AQs have shown variable antidiabetic potential, whereas one AQ (morindone‐6‐O‐β‐D‐primeveroside) showed no blood glucose‐lowering ability. Emodin and rhein showed the most promising antidiabetic potential in various models. The proposed mechanisms of antidiabetic action include upregulation of insulin receptor substrates‐1, phosphoinositide‐3‐kinase, and Akt‐ser473 expression and elevation of glucagon‐like peptide‐1 level in diabetic animal models linked to the potent protein tyrosine phosphatase 1B and dipeptidyl peptidase‐4 inhibitions. In addition, activation of peroxisome proliferator‐activated receptors gamma and inhibition of α‐glucosidase activity are other possible targets proposed as the mechanism of AQs antidiabetic action. The position and the number of hydroxyl group showed great influence on the overall antidiabetic potential of AQs. AQs hold promising antidiabetic activity despite scanty information. We hope that the present study will serve as a template to further explore the antidiabetic potential of AQs and subsequent antidiabetic drug development.
Insights into Non‐Ideal Behavior of Double Salt Ionic Liquids with Common Cation: Volumetric Behaviour, Molecular Dynamics Simulations and NMR Experiments
Authors: Ijardar Sushma P. , Saparov Ablay , Shah Dhawal
Published: November 2019

The designer concept of ionic liquid (ILs) allows combination of different types of cation with anion to manipulate desire sets of physico‐chemical properties. The additional degree of freedom to improve these properties is addition of second IL, i. e. mixture of two pure ILs, known as “Double Salt Ionic Liquids (DSILs)”. Depending on variation in physico chemical properties, DSILs could be ideal or non‐ideal solution. The present study was explores non‐ideal behaviour of three novel combination of imidazolium based DSILs using physico‐chemical properties. The proposed DSILs are homogeneous mixtures of two pure ILs with common cation and two different anions: ethylsulfate and bis(trifluoromethylsulfonyl)imide / trifluoromethanesulfonate / thiocyanate. The densities, ρ and speeds of sound, u for proposed DSILs were determined at different temperatures. The excess molar volumes VmE and excess molar isentropic compressibilities KS,mE were calculated and discussed in view of chemical structures of pure ILs, nature of anions and type of interaction between ions. The VmE were found to be positive for all cases, whereas positive or negative KS,mE were observed for studied DSILs. The behaviour of DSILs was explained by molecular dynamics simulations in terms of interaction energies and hydrogen bonds between components of DSILs as well as 1H NMR results. The results indicate random distribution of anions around imidazolium cation and structural changes during formulation of DSILs.
Synthesis of Novel Antipyrine Derivatives Possessing Remarkable Antimicrobial Activities
Authors: Bayrak Hacer , Cebeci Yıldız Uygun , Karaoğlu Şengül Alpay
Published: November 2019

In this study, new triazole, thiazole, oxazole and Mannich bases were synthesized starting from antipyrine. All the newly synthesized compounds were screened for their antimicrobial activities against some test microorganisms and among them most of them show very good antituberculosis activity beside gram positive and gram negative bacteria. The structures of all synthesized compounds were determined by spectroscopic methods such as FT‐IR, 1H NMR and 13C NMR.
rGO‐SO3H Catalysed Green Synthesis of Fluoro‐Substituted Aminomethylene Bisphosphonates and their Anticancer, Molecular Docking studies
Authors: Sudileti Murali , Nagaripati Saichaithanya , Gundluru Mohan , Chintha Venkataramaiah , Aita Saikiran , Wudayagiri Rajendra , Chamarthi Nagaraju , Cirandur Suresh Reddy
Published: November 2019

A facile and green synthetic protocol was aimed for the synthesis of aminomethylene bisphosphonates via one‐pot reaction of fluorine bearing anilines, triethyl orthoformate and dialkyl phosphite in presence of rGO‐SO3H as catalyst under microwave irradiation and solvent‐free conditions. All the title compounds were evaluated for their anticancer activity against human breast cancer cell lines (MCF‐7) by MTT assay method using exemestane as standard drug. Molecular docking studies were carried out against Human estrogen receptor alpha (ERα). Both in vitro and in silico studies revealed that compounds tetramethyl (((3‐(trifluoromethyl) phenyl) aminomethylene)bisphosphonate) (4e), tetramethyl (((2‐methoxy(5‐trifluoromethyl) phenyl) amino) methylene)bis (phosphonate) (4m) and tetraethyl (((4‐bromo‐2‐fluorophenyl) amino)methylene)bis(phosphonate) (4l) exhibited remarkable higher anticancer activity than that of standard.
A Triple Layer of Immiscible Solvents for NMR Sample Preparation: Enhanced Sensitivity and Reduced Deuterated Solvent
Authors: Baishya Bikash , Chandra Atish
Published: November 2019

NMR spectroscopy is often constrained by lack of sensitivity. A contributing factor towards this reduced sensitivity stems from NMR sample preparation‐ the sample dilution. Organic chemists routinely prepare NMR sample by filling the lowermost 4 cm length of a regular 5 mm 0.d. tube that holds approximately 0.55 ml of a deuterated solvent. This is equivalent to diluting the sample as the signal mainly comes from the central part of length 1.8 cm corresponding to typical coil length of 1.8 cm. The top and bottom part of the sample contributes less signal as they are far from the coil but are crucial for maintaining magnetic field homogeneity. Consequently, the requirement of the expensive deuterated solvent increases. Herein, we explore a way of sample preparation which involves sandwiching a small amount of the deuterated solvent containing the analyte between two non‐deuterated solvents, which are immiscible with the former using a regular 5 mm o.d. tube. The total length is still 4 cm. The analyte now being closer to NMR coil, improves sensitivity and reduces deuterated solvent hitherto required by a factor of two‐fold. 13C and 15N spectra display more than a two‐fold higher signal to noise ratio. 1H, 19F, and 31P spectra also displayed enhanced sensitivity. Examples of various solvent systems designed are detailed here. Two‐dimensional NMR is also provided.
Significant Differences in the Energy of X‐H/Pt Interactions between Cisplatin and Transplatin Molecules
Authors: Veljković Dušan Ž. , Đunović Aleksandra B. , Zarić Snežana D.
Published: November 2019

X−H/Pt interactions between cisplatin (cis‐[Pt(NH3)2Cl2]) and transplatin (trans‐[Pt(NH3)2Cl2]) molecules as hydrogen atom acceptors and CH4, NH3 and H2O molecules as hydrogen atom donors were studied by quantum chemical calculations and analysis of crystallographic data from Cambridge Structural Database (CSD). Results of interaction energies calculations showed that almost in all cases cisplatin molecule forms stronger X−H/Pt interaction compared to transplatin molecule. The strongest calculated interaction is O−H/Pt interaction between cisplatin and a water molecule with the energy ΔEMP2/aug‐cc‐PVDZ=‐5.97 kcal/mol; calculated energy of the strongest transplatin/water interaction is ΔEMP2/aug‐cc‐PVDZ=‐4.43 kcal/mol. Only in case of C−H/Pt interactions translplatin molecule forms slightly stronger interaction compared to cisplatin molecule; the energy of the strongest C−H/Pt interaction involving transplatin molecule is ΔEMP2/aug‐cc‐PVDZ=‐1.20 kcal/mol while for cisplatin energy is ΔEMP2/aug‐cc‐PVDZ=‐1.08 kcal/mol. Interaction energies for geometries with the strongest X−H/Pt interactions were re‐calculated at CCSD(T)/CBS level and these results were in excellent agreement with results obtained at MP2/aug‐cc‐PVDZ level of theory. Electrostatic potentials were calculated and used to explain results of interaction energies calculations. Analysis of geometrical data revealed that cisplatin and transplatin molecules are involved in X−H/Pt contacts in crystal structures.
Hybrid Molecules Based on C60 Fullerene and 5Z,9Z‐Dienoic Acids: Synthesis and Cytotoxic Activity
Authors: Tuktarov Airat R. , Khuzina Liliya L. , Akhmetov Arslan R. , Tuktarova Regina A. , Ishmukhametova Svetlana R. , Dzhemileva Lilya U. , D'yakonov Vladimir A. , Dzhemilev Usein M.
Published: November 2019

The present research addresses synthesis of methanofullerenes containing 5Z,9Z‐dienoic acid molecules applying the Bingel and Bingel‐Hirsch reactions. The cytotoxic activity of the synthesized methanofullerenes against Jurkat, K562, U937, HL60 tumour cells was under study. Hybrid methanofullerenes containing dienoic acids were found to exhibit high in vitro cytotoxicity against these tumour cell lines, produce phase‐specific cytotoxic effect during the S and G2 phases of the cell cycle, and are also effective inducers of apoptosis.
Theoretical Approach towards the Investigation of Linear and Second‐Order Nonlinear Optical Behavior of Ferrocene‐Diketopyrrolopyrrole Dyads
Authors: Kaur Sarbjeet , Kaur Paramjit , Singh Kamaljit
Published: November 2019

In this work, three sets of donor‐acceptor dyads encompassing ferrocene (Fc) as a donor and bromo/formyl/‐C6H4‐CHO substituted furan, thiophene or phenyl groups on diketopyrrolopyrrole (DPP) as acceptors, respectively were selected. The donor‐acceptor moieties were intercepted by a π‐bridge encompassing ‐CH=CH‐thiophene/furan/phenyl‐DPP units linking the donor and the acceptor. The linear and second‐order nonlinear optical properties of these sets of chromophores were calculated using Gaussian09 by employing B3LYP/6‐31G/Polar in dichloromethane as solvent (CPCM model). The electronic absorption spectra were also calculated from the time‐dependent DFT (TD‐DFT) calculations. Structure‐property relationship analysis suggested the dependence of both linear and nonlinear optical properties on the strength of donor/acceptor, length as well as the nature of the π‐conjugation bridge. The studies did not reveal a regular trend in solvatochromism in the electronic absorption spectra of the dyads when examined by selecting solvents of increasing polarity. Interestingly, the absorption bands of the dyads having thienyl linked DPP core were shifted to lower energy, and had smaller band gaps and higher linear as well as second‐order nonlinear polarizabilities when compared with other sets.
Potassium‐Cyanide Catalyzed Aerobic Oxidation of Aromatic Aldehydes into Esters
Authors: Shahidzadeh Elham Shaikhi , Nowrouzi Najmeh , Abbasi Mohammad
Published: November 2019

A simple and efficient procedure for trimerization of aromatic aldehydes mediated by potassium cyanide is described. A variety of aromatic aldehydes reacted efficiently and the corresponding oxidative esterification products were obtained in good to excellent yields in the absence of oxidant, solvent and metal species.
Lubricant‐Infused PET Grafts with Built‐In Biofunctional Nanoprobes Attenuate Thrombin Generation and Promote Targeted Binding of Cells
Authors: Badv Maryam , Weitz Jeffrey I. , Didar Tohid F.
Published: November 2019

New surface coatings that enhance hemocompatibility and biofunctionality of synthetic vascular grafts such as expanded poly(tetrafluoroethylene) (ePTFE) and poly(ethylene terephthalate) (PET) are urgently needed. Lubricant‐infused surfaces prevent nontargeted adhesion and enhance the biocompatibility of blood‐contacting surfaces. However, limited success has been made in incorporating biofunctionality onto these surfaces and generating biofunctional lubricant‐infused coatings that both prevent nonspecific adhesion and enhance targeted binding of biomolecules remains a challenge. Here, a new generation of fluorosilanized lubricant‐infused PET surfaces with built‐in biofunctional nanoprobes is reported. These surfaces are synthesized by starting with a self‐assembled monolayer of fluorosilane that is partially etched using plasma modification technique, thereby creating a hydroxyl‐terminated fluorosilanized PET surface. Simultaneously, silanized nanoprobes are produced by amino‐silanizing anti‐CD34 antibody in solution and directly coupling the anti‐CD34‐aminosilane nanoprobes onto the hydroxyl terminated, fluorosilanized PET surface. The PET surfaces are then lubricated, creating fluorosilanized biofunctional lubricant‐infused PET substrates. Compared with unmodified PET surfaces, the designed biofunctional lubricant‐infused PET surfaces significantly attenuate thrombin generation and blood clot formation and promote targeted binding of endothelial cells from human whole blood.
Mo‐Doped ZnIn2S4 Flower‐Like Hollow Microspheres for Improved Visible Light‐Driven Hydrogen Evolution
Authors: Xing Fangshu , Liu Qiuwen , Huang Caijin
Published: November 2019

Designing robust visible light‐driven photocatalysts in terms of the structure and component is an important way for achieving efficient solar hydrogen production. Herein, Mo‐doped ZnIn2S4 (M‐ZIS) flower‐like hollow microspheres assembled by ultrathin nanosheets are reported. The as‐prepared M‐ZIS samples achieve an enhanced H2 generation rate of 4.62 mmol g−1 h−1 under visible light, ten times higher than that of pristine ZIS. The 3D hollow microspheres structure assembled by nanosheets ensures sufficient light harvesting and exposure of more active sites. Meanwhile, the doping of Mo is propitious to regulate the chemical characteristic and electronic structure of ZIS in the merit of ameliorated hydrophilicity, extended light adsorption, accelerated transfer‐separation efficiency of charge carriers, as well as the reduced overpotential of H2 evolution. This model is put forward to obtain an in‐depth understanding of the role that both the 3D hollow hierarchical structure and doping atoms play in photocatalytic water splitting.
Processing of X65MoCrWV3‐2 Cold Work Tool Steel by Laser Powder Bed Fusion
Authors: Boes Johannes , Röttger Arne , Theisen Werner
Published: November 2019

Laser powder bed fusion (L‐PBF) of forming tools has become of major interest in the tooling industry because of the high geometrical flexibility of this process. During L‐PBF, a metallic powder bed is melted selectively by a laser beam, enabling the layer‐wise manufacturing of parts from 3D computer‐aided design data. The process is characterized by a locally and temporally unsteady heat flow in the solidified part and in the melt pool, causing nonequilibrium solidification and phase transformations. In addition, rapid heating and cooling occur, promoting the formation of microstructural defects, cold cracks, and distortion. Because of the high tendency to form cold cracks, processing of martensitic tool steels is still a challenging task. Tool steel X65MoCrWV3‐2 is processed by L‐PBF and the resulting microstructure and the associated local properties are investigated by microhardness measurements, nanoindentation, and scanning electron microscopy. It is gathered from the investigations that regions of different microstructures and mechanical properties on both micro‐ and macroscale are present in the L‐PBF‐densified steel. The different microstructures and properties are the result of the alternating heat insert at different temperature regimes, forming heat‐affected zones in which the tempering processes are triggered and strongly varying properties are generated.
Redox Chemical‐Fueled Dissipative Self‐Assembly of Active Materials
Authors: Ogden William A. , Guan Zhibin
Published: November 2019

This work reports a new transient self‐assembly of active materials fueled solely by a mild redox reaction network. Fuel‐driven dissipative, out‐of‐equilibrium assemblies are common in living systems but are challenging to mimic synthetically. Synthetic dissipative assembly systems developed thus far often use relatively toxic fuels and harsh conditions. Herein we report a transient, out‐of‐equilibrium self‐assembly system based on a new chemical reaction network using redox reactions. We use a mild redox chemical reaction network to simultaneously create and destroy a disulfide‐based hydrogelator, leading to transient, dynamic behavior. By closely regulating the reaction kinetics and reagent composition, the macroscopic properties of the active materials are fine‐tuned. The current work represents an important step toward the development of active materials operating under mild conditions.
Design of nonlinear coordinate damping controller for HVDC and SVC based on synergetic control
Authors: Zou Yansheng , Dong Ping , Liu Kun
Published: November 2019

This article presents a novel nonlinear coordinate damping controller (NCDC) for high‐voltage direct current (HVDC) and static var compensator (SVC) based on synergetic control theory, which can improve the stability of interarea power system and multi‐infeed HVDC system by quickly changing the transmission power of HVDC and reactive power of SVC. The traditional control design of HVDC and SVC can improve the stability, but there may be a negative interaction between the controllers of HVDC and HVDC or HVDC and SVC. Furthermore, the power system is a strong nonlinear system, and the controller designed by a linearized model may reduce its performance. To solve these problems, this article first constructs a unified macro variable and manifold, which contains the model of HVDC and SVC. The manifold sets the deviation value of the center of inertia (COI) frequency of the two systems connected by HVDC to zero. Then, a nonlinear HVDC and SVC coordinated controller is derived based on the synergetic control theory. The global stability of the controller is proven by the Lyapunov theorem. Finally, the simulation results in a two‐area power system and a multi‐infeed system using the power systems computer aided design (PSCAD) show the effectiveness and superiority of the proposed controller. © 2019 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Fifty years of Hoare’s logic
Authors: Apt Krzysztof R. , Olderog Ernst-Rüdiger
Published: November 2019

We present a history of Hoare’s logic.
Work holding assessment of an UV adhesive and fixture design method
Authors: Yao Shaoming , Ozturk Erdem , Curtis David , McLeay Tom
Published: November 2019

Adhesive work holding can be used to minimize clamping distortion and provide greater access to a work piece during machining. This paper proposes shear and tensile strength criteria to evaluate the work holding strength of adhesive grippers and definition of a strength safety coefficient of adhesive grippers. It also demonstrates a case study of work holding design with an UV adhesive for a grinding process based on a strength criteria explained in the paper. A test rig has been designed and manufactured to assess the capability of an adhesive work holding material. Tests include measurement of strength and repeatability of adhesion under different film thicknesses, curing times and pre-cleaning methods. The test shows the strength repeatability is less than ± 20%, which is good enough for many work holding applications. A shear-tensile combined strength can be evaluated by the strength sphere in a fixture design of a specific part geometry for production by the combined safety coefficient. Following the test rig assessment, a fixture has been designed with 3 grippers to demonstrate the adhesive for a grinding process with a simple part geometry. The method has a high potential for application in industry, and is not limited to the given part geometry and machining method. The grinding test shows that the adhesive work holding is strong enough for the application and that similar results can be expected for milling and turning with a good gripper arrangement.
Imaging drugs, metabolites and biomarkers in rodent lung: a DESI MS strategy for the evaluation of drug-induced lipidosis
Authors: Dexter Alex , Steven Rory T. , Patel Aateka , Dailey Lea Ann , Taylor Adam J. , Ball Doug , Klapwijk Jan , Forbes Ben , Page Clive P. , Bunch Josephine
Published: November 2019

Within drug development and pre-clinical trials, a common, significant and poorly understood event is the development of drug-induced lipidosis in tissues and cells. In this manuscript, we describe a mass spectrometry imaging strategy, involving repeated analysis of tissue sections by DESI MS, in positive and negative polarities, using MS and MS/MS modes. We present results of the detected distributions of the administered drug, drug metabolites, lipid molecules and a putative marker of lipidosis, di-docosahexaenoyl (22:6)-bis(monoacylglycerol) phosphate (di-22:6-BMP). A range of strategies have previously been reported for detection, isolation and identification of this compound, which is an isomer of di-docosahexaenoic (22:6 n-3) phosphatidylglycerol (di-22:6 PG), a commonly found lipid that acts as a surfactant in lung tissues. We show that MS imaging using MS/MS can be used to differentiate these compounds of identical mass, based upon the different distributions of abundant fragment ions. Registration of images of these fragments, and detected drugs and metabolites, is presented as a new method for studying drug-induced lipidosis in tissues.
Quantum Spins and Random Loops on the Complete Graph
Authors: Björnberg Jakob E. , Fröhlich Jürg , Ueltschi Daniel
Published: November 2019

We present a systematic analysis of quantum Heisenberg-,xy- and interchange models on the complete graph. These models exhibit phase transitions accompanied by spontaneous symmetry breaking, which we study by calculating the generating function of expectations of powers of the averaged spin density. Various critical exponents are determined. Certain objects of the associated loop models are shown to have properties of Poisson–Dirichlet distributions.