bluuebunny/crossref_metadata_2025 huggingface dataset:
Combining Value‐focused Thinking and Balanced Scorecard to Improve Decision‐making in Strategic Management
Authors: Kunz Reinhard E. , Siebert Johannes , Mütterlein Joschka
Published: August 2016

Goal orientation is key to strategic management. In this field, the Balanced Scorecard is one of the most widely used management tools. It structures a company's main objectives from different perspectives based on the strategy of the firm and uses performance indicators to measure the achievement of objectives and strategy. However, its method of creation is not theoretically sound. Value‐focused thinking is a decision‐making philosophy that fits perfectly with Balanced Scorecard creation. It provides methods and techniques for the identification and structuring of objectives that are suitable to systematically derive a scorecard from a means‐ends network. However, such a means‐ends network is often too complex for enduring use in strategic management. By adapting the network's structure to the Balanced Scorecard's layout, the profound and clear set of derived objectives and their measures serve as a reasonable basis for applying methods of multi‐criteria decision‐making in an organization.

This paper aimed to outline a procedure that merges the Balanced Scorecard and value‐focused thinking by preserving each concept's strengths while eliminating their weaknesses. A six‐step process was developed theoretically and employed empirically in a case study. This process included (1) identifying objectives; (2) structuring objectives; (3) characterizing clusters of objectives; (4) formulating mission, vision, and strategy; (5) designing the scorecard; and (6) monitoring and adapting to change. On the basis of this approach, a Management Scorecard was produced that enabled strategy development and execution, put forth a clear and comprehensive means‐ends network, and visualized a company's most important objectives and their relationships structured through perspectives roughly following the Balanced Scorecard. It acts as a foundation for research to generalize and compare findings regarding goals of organizations. Our procedure demonstrates how scientific methods, such as value‐focused thinking, can yield benefits to practitioners' instruments, like the Balanced Scorecard, and how management tools can likewise improve scientific methods. Copyright © 2016 John Wiley & Sons, Ltd.
Clinical Definition of Camptocormia in Parkinson's Disease
Authors: Margraf Nils G. , Granert Oliver , Hampel Julia , Wrede Arne , Schulz‐Schaeffer Walter J. , Deuschl Günther
Published: August 2016

Background

Clinical key aspects of camptocormia in patients with idiopathic Parkinson's disease (PD) await further definition.

Methods

Based on a self‐assessment of PD patients, we performed an observational study, asking patients with subjectively felt involuntary forward bending to return a questionnaire and provide photographs showing their axial disorder. Forty‐two matched PD patients without subjective signs of camptocormia were recruited as controls.

Results

The stooped posture of patients with advanced PD without camptocormia is characterized by a forward bending angle of always less than 30 degrees. Of the 145 camptocormia patients in our study, 70% had an angle ≥30 degrees. The patients with a more‐severe forward bending angle were more severely affected in daily life than those with an angle of less than 30 degrees. Back pain was more frequent (81% vs. 43%) and more severe in PD patients with camptocormia than in controls. Back diseases in camptocormia PD patients were also significantly more frequent than in the PD control patients (55% vs. 26%). Camptocormia is a relevant burden in everyday life. Seventy‐seven percent of patients needed walking aids and 85% reported specific disabilities attributed to camptocormia (e.g. increased risk of falling, dyspnea, problems in eating or swallowing).

Conclusions

Camptocormia cannot be clinically defined based on the forward bending angle alone, but an angle larger than 30 degrees is only found in camptocormia. Back pain is an essential aspect of camptocormia in PD. Back diseases can be seen as a risk factor in these patients.
Feasibility and validity of mobile cognitive testing in the investigation of age‐related cognitive decline
Authors: Schweitzer Pierre , Husky Mathilde , Allard Michèle , Amieva Hélène , Pérès Karine , Foubert‐Samier Alexandra , Dartigues Jean‐François , Swendsen Joel
Published: August 2016

Mobile cognitive testing may be used to help characterize subtle deficits at the earliest stages of cognitive decline. Despite growing interest in this approach, comprehensive information concerning its feasibility and validity has been lacking in elderly samples. Over a one‐week period, this study applied mobile cognitive tests of semantic memory, episodic memory and executive functioning in a cohort of 114 elderly non‐demented community residents. While the study acceptance rate was moderate (66%), the majority of recruited individuals met minimal compliance thresholds and responded to an average of 82% of the repeated daily assessments. Missing data did not increase over the course of the study, but practice effects were observed for several test scores. However, even when controlling for practice effects, traditional neuropsychological tests were significantly associated with mobile cognitive test scores. In particular, the Isaacs Set Test was associated with mobile assessments of semantic memory (γ = 0.084, t = 5.598, p < 0.001), the Grober and Buschke with mobile assessments of episodic memory (γ = 0.069, t = 3.156, p < 0.01, and the Weschler symbol coding with mobile assessments of executive functioning (γ = 0.168, t = 4.562, p < 0.001). Mobile cognitive testing in the elderly may provide complementary and potentially more sensitive data relative to traditional neuropsychological assessment. Copyright © 2016 John Wiley & Sons, Ltd.
The proteome of normal human retrobulbar optic nerve and sclera
Authors: Zhang Pingbo , Karani Rabia , Turner Randi L. , Dufresne Craig , Ferri Sara , Van Eyk Jennifer E. , Semba Richard D.
Published: August 2016

The optic nerve is a white matter tract that conveys visual information to the brain. The sclera comprises the white, protective outer layer of the eye. A characterization of the proteome of normal human retrobulbar optic nerve and sclera may facilitate studies of the eye. We conducted a proteomic analysis of optic nerve and sclera from five adults. Proteins were fractionated using SDS‐PAGE. After in‐gel digestion, peptides were analyzed using LC‐MS/MS on an Orbitrap Elite mass spectrometer. We identified 2711 non‐redundant proteins in retrobulbar optic nerve and 1945 non‐redundant proteins in sclera. Optic nerve proteins included proteins expressed by oligodendrocytes (laminin, proteolipid protein, fibronectin), myelin proteins (myelin basic protein, myelin‐associated glycoprotein), and paranodal structural proteins (ankyrin β, spectrin). Sclera included 18 collagen protein chains, small leucine‐rich proteoglycans (decorin, biglycan, lumican, keratocan, prolargin, fibromodulin, mimecan), non‐collagenous glycoproteins (fibronectin, vitronectin, laminin), extracellular matrix proteins (thrombospondins 1–4, dystroglycan, transgelins 1–3), and integrins alpha‐V, alpha‐1 and 2, beta‐1, ‐2, and ‐5. Twenty‐one unambiguous alternative splicing protein isoforms were identified in optic nerve and ten unambiguous alternative splicing protein isoforms were identified in sclera. The mass spectrometry proteomics data have been deposited to the ProteomeXchange Consortium via the PRIDE partner repository with the dataset identifier PXD001581.
Distributions of imidacloprid, imidacloprid‐olefin and imidacloprid‐urea in green plant tissues and roots of rapeseed (Brassica napus) from artificially contaminated potting soil
Authors: Seifrtova Marcela , Halesova Tatana , Sulcova Klara , Riddellova Katerina , Erban Tomas
Published: August 2016

BACKGROUND

Imidacloprid‐urea is the primary imidacloprid soil metabolite, whereas imidacloprid‐olefin is the main plant‐relevant metabolite and is more toxic to insects than imidacloprid. We artificially contaminated potting soil and used quantitative UHPLC‐QqQ‐MS/MS to determine the imidacloprid, imidacloprid‐olefin and imidacloprid‐urea distributions in rapeseed green plant tissues and roots after 4 weeks of exposure.

RESULTS

In soil, the imidacloprid/imidacloprid‐urea molar ratios decreased similarly after the 250 and 2500 µg kg−1 imidacloprid treatments. The imidacloprid/imidacloprid‐urea molar ratios in the root and soil were similar, whereas in the green plant tissue, imidacloprid‐urea increased more than twofold compared with the root. Although imidacloprid‐olefin was prevalent in the green plant tissues, with imidacloprid/imidacloprid‐olefin molar ratios of 2.24 and 1.47 for the 250 and 2500 µg kg−1 treatments respectively, it was not detected in the root. However, imidacloprid‐olefin was detected in the soil after the 2500 µg kg−1 imidacloprid treatment.

CONCLUSION

Significant proportions of imidacloprid‐olefin and imidacloprid‐urea in green plant tissues were demonstrated. The greater imidacloprid supply increased the imidacloprid‐olefin/imidacloprid molar ratio in the green plant tissues. The absence of imidacloprid‐olefin in the root excluded its retransport from leaves. The similar imidacloprid/imidacloprid‐urea ratios in the soil and root indicated that the root serves primarily for transporting these substances. © 2016 Society of Chemical Industry
A calorimetric investigation of RbFe2As2 single crystals
Authors: Khim Seunghyun , Aswartham Saicharan , Grinenko Vadim , Efremov Dmitry , Blum Christian G. F. , Steckel Frank , Gruner Daniel , Wolter Anja U. B. , Drechsler Stefan‐Ludwig , Heß Christian , Wurmehl Sabine , Büchner Bernd
Published: August 2016

We present properties of single crystals of the iron pnictide superconductor RbFe2As2 grown using a self‐flux method. A bulk superconducting transition at 2.6 K was consistently observed in resistivity, magnetic susceptibility, and specific heat measurements. While the resistivity behaves like a conventional metal at low T, the magnetic susceptibility shows an unusual broad maximum around 80 K in the normal state. A large Sommerfeld coefficient, , was observed seemingly a common feature of heavily hole‐doped “122” compounds. In the superconducting state, we analyzed our specific heat data based on the s‐ and d‐wave two‐gap models. The presence of the small gap with 2/ was discussed to account for the large specific heat contribution remaining to low T far below . The large anisotropy ratio, = / 7 near indicates that the large gap would occupy a highly two‐dimensional Fermi surface.
Effect of the Capsicoside G‐rich Fraction from Pepper (Capsicum annuum L.) Seeds on High‐fat Diet‐induced Obesity in Mice
Authors: Sung Jeehye , Jeong Heon Sang , Lee Junsoo
Published: August 2016

Obesity is one of the most common metabolic syndromes and is a major threat to human health worldwide. Given the size of this problem, there is growing interest in natural agents that may decrease obesity. In this study, we investigated the anti‐obesity effect of a capsicoside G‐rich fraction (CRF; 13.35% capsicoside G) isolated from pepper seeds in diet‐induced obese mice. C57BL/6J mice were fed either a normal diet or a high‐fat diet (HFD), with or without CRF (HFD + CRF; 10 and 100 mg/kg body weight). The body weight and food efficiency ratio of mice fed HFD + CRF were lower in comparison to that of mice fed only an HFD. Epididymal adipose tissue weight and adipocyte hypertrophy were significantly lower in HFD + CRF mice than in HFD mice. The fat deposition in the liver of mice fed HFD + CRF was lower compared to that of mice fed only an HFD. CRF significantly reversed the HFD‐induced elevation of the expression of key adipocyte differentiation regulators, including peroxisome proliferator‐activated receptor γ, CCAAT/enhancer‐binding protein α, sterol regulatory element binding protein 1c, and their target genes. These results suggest that CRF could be used as dietary therapy for the prevention of obesity and obesity‐related metabolic diseases. Copyright © 2016 John Wiley & Sons, Ltd.
Hepatoprotective Effects of a Proprietary Glycyrrhizin Product during Alcohol Consumption: A Randomized, Double‐Blind, Placebo‐Controlled, Crossover Study
Authors: Chigurupati Harsha , Auddy Biswajit , Biyani M. , Stohs Sidney J.
Published: August 2016

Traditionally, licorice has been used to treat liver problems. Glycyrrhizin, the primary active compound, has been shown to suppress elevations in liver enzymes that occur when the liver becomes diseased or damaged. This randomized, double‐blind, placebo‐controlled, crossover study evaluated the hepatoprotective effects of a proprietary glycyrrhizin product during alcohol consumption. Twelve healthy individuals (six male and six female subjects) in a clinic setting consumed vodka nightly for 12 days with the glycyrrhizin product or placebo (blank control), achieving a blood alcohol level of 0.12%. Liver function enzymes including alanine aminotransferase (ALT), aspartate aminotransferase (AST), gamma‐glutamyl transferase (GGT), and alkaline phosphatase and serum reduced glutathione were measured at overnight visits 1, 6, and 12. In the alcohol only group, AST, ALT, and GGT significantly increased from baseline (overnight visit 1) to overnight visit 12. In the active group, no statistically significant increases were observed for AST, ALT, and GGT, while alkaline phosphatase significantly decreased and plasma glutathione decreased relative to the alcohol control group. These results suggest that consumption of the proprietary glycyrrhizin study product during alcohol consumption may support improved liver health compared with drinking alcohol alone. Copyright © 2016 John Wiley & Sons, Ltd.
Structure of protonated tryptophan dimer in the gas phase investigated by IRPD spectroscopy and theoretical calculations
Authors: Feng Ruxia , Yin Hong , Kong Xianglei
Published: August 2016

Rational

In addition to proton affinity (PA), side chains may also have an effect on the structures of amino acid complex ions in the gas phase. A previous study showed that the most stable isomer of Pro2H+ favored a salt‐bridged structure. Tryptophan has a PA close to that of proline, but a quite different side chain. Thus, it will be interesting to discover whether the salt‐bridged or charge‐solvated conformation is energetically more favorable for Trp2H+ in the gas phase.

Methods

The infrared photodissociation (IRPD) spectrum of Trp2H+ was obtained using a Fourier transform ion cyclotron resonance mass spectrometer equipped with a tunable OPO laser. The non‐covalent cluster ions were generated by electrospray ionization. Structural optimization and frequency calculation of the selected isomers were performed at the M062X/6–311++G(d,p) level.

Results

The experimental IRPD spectrum of Trp2H+ was reported in the region of 2700–3750 cm−1. Theoretical calculations show that the most stable isomer has a charge‐solvated structure. Its energy was found to be 9 kcal/mol lower than that of the most stable salt‐bridged isomer. The experimental spectrum is consistent with the predicted spectra of the most stable charge‐solvated structures. Temperature effect on the stability of isomers was also evaluated and it was revealed that the contribution from salt‐bridged isomers can be neglected at a temperature of 300 K.

Conclusions

Combining the method of IRPD spectroscopy with theoretical calculations, the structures of Trp2H+ were investigated. It is shown that the structures of Trp2H+ are dominated by charge‐solvated forms. The results also indicate that the side chain may considerably affect the stability of the zwitterionic forms. Copyright © 2016 John Wiley & Sons, Ltd.
Facile synthesis of carboxymethyl‐β‐cyclodextrin conjugated magnetic nanoparticles for selective enrichment of glycopeptides
Authors: Song Peipei , Huang Peiwu , Huang Tengjun , Li Hua , Chen Wendong , Lin Lin , Feng Shun , Tian Ruijun
Published: August 2016

Rationale

Selective enrichment of glycopeptides prior to mass spectrometry (MS) analysis is essential due to the low abundance of the modified glycopeptides in complex samples, ion suppression effects during MS ionization and detection caused by the co‐presence of non‐glycosylated peptides, etc. Among different enrichment approaches, hydrophilic interaction liquid chromatography (HILIC)‐based magnetic separation has become one of the most popular methods in recent years, due to its high efficiency and selectivity for glycopeptide enrichment.

Methods

Herein, novel carboxymethyl‐β‐cyclodextrin (CMCD)‐modified magnetic nanoparticles (MNPs) were synthesized via a carbodiimide activation method. CMCD was covalently bonded with the –OH group on the surface of MNPs through carbodiimide, and the proposed procedure provides a rapid and efficient alternative for glycopeptide enrichment due to its stable interaction, time‐saving, and easy operation.

Results

The prepared absorbents with a mean diameter of 15 nm demonstrated a strong magnetic response to an externally applied magnetic field. The results of thermogravimetric analysis showed the content of bound CMCD was 3 wt%. The outer CMCD layer conjugated on the Fe3O4 core showed high hydrophilic surface property. In the analysis of a complex mouse liver sample, a total of 666 unique N‐glycosylation sites corresponding to 494 glycosylated proteins were identified successfully.

Conclusions

The study demonstrated an easy‐to‐use CMCD‐modified MNPs‐based approach with high selectivity and high capacity in the enrichment of low‐abundance glycopeptides from complex biological samples. Copyright © 2016 John Wiley & Sons, Ltd.
Sensitive determination of cholesterol and its metabolic steroid hormones by UHPLC–MS/MS via derivatization coupled with dual ultrasonic‐assisted dispersive liquid–liquid microextraction
Authors: Zhao Xian‐En , Yan Ping , Wang Renjun , Zhu Shuyun , You Jinmao , Bai Yu , Liu Huwei
Published: August 2016

Rationale

Quantitative analysis of cholesterol and its metabolic steroid hormones plays a vital role in diagnosing endocrine disorders and understanding disease progression, as well as in clinical medicine studies. Because of their extremely low abundance in body fluids, it remains a challenging task to develop a sensitive detection method.

Methods

A hyphenated technique of dual ultrasonic‐assisted dispersive liquid–liquid microextraction (dual‐UADLLME) coupled with microwave‐assisted derivatization (MAD) was proposed for cleansing, enrichment and sensitivity enhancement. 4′‐Carboxy‐substituted rosamine (CSR) was synthesized and used as derivatization reagent. An ultra‐high performance liquid chromatography tandem mass spectrometry (UHPLC–MS/MS) method was developed for determination of cholesterol and its metabolic steroid hormones in the multiple reaction monitoring mode.

Results

Parameters of dual‐UADLLME, MAD and UHPLC–MS/MS were all optimized. Satisfactory linearity, recovery, repeatability, accuracy and precision, absence of matrix effect and extremely low limits of detection (LODs, 0.08–0.15 pg mL−1) were achieved.

Conclusions

Through the combination of dual‐UADLLME and MAD, a determination method for cholesterol and its metabolic steroid hormones in human plasma, serum and urine samples was developed and validated with high sensitivity, selectivity, accuracy and perfect matrix effect results. Copyright © 2016 John Wiley & Sons, Ltd.
A microwave plasma torch quadrupole mass spectrometer for monitoring trace levels of lead and cadmium in water
Authors: Zhu Zhiqiang , Jiang Tao , Xiong Xiaohong , Zou Wei
Published: August 2016

Rationale

The microwave plasma torch (MPT) is a low power‐consumption and easily operated plasma generator. As an ambient ion source, the MPT can be coupled with various mass spectrometers and applied in real‐time analysis of metal elements in water for the demands of environmental control and water quality inspection.

Methods

We constructed a quadrupole mass spectrometer with an MPT as the ion source to detect directly trace levels of lead and cadmium in water. Without any pretreatments,water samples were first pneumatically nebulized with a desolvation unit, then flowed through the central tube of the MPT and finally entered the plasma. After that, the metal ions produced were introduced into the mass spectrometer to be analyzed via an atmospheric inlet of a stainless steel capillary tube.

Results

The MPT mass spectra of lead and cadmium ions were characterized with clear unit isotopic resolution. The sensitivity reached levels of 20 ng/L for lead and 72.7 ng/L for cadmium in water, respectively. The linear response range covered at least 2 orders of magnitude. Moreover, a single aqueous sample could be completely analyzed within 3 minutes, providing reasonably relative standard deviation values.

Conclusions

Our results demonstrated that this MPT mass spectrometer is a useful tool for the monitoring of lead and cadmium ions in water, which makes it a potential alternative to ICP‐MS, to be used in the fields of environmental control and water quality and foodstuff safety inspection. Copyright © 2016 John Wiley & Sons, Ltd.
Identification of binding sites of cisplatin to human copper chaperone protein Cox17 by high‐resolution FT‐ICR‐MS
Authors: Li Lijie , Guo Wei , Wu Kui , Zhao Yao , Luo Qun , Zhang Qingwu , Liu Jianan , Xiong Shaoxiang , Wang Fuyi
Published: August 2016

Rationale

Cox17 is a key copper chaperone protein responsible for delivery of cuprous ions to mitochondria and has been demonstrated to be involved in the anticancer action of cisplatin. However, the binding sites of the drug to the protein have not yet been directly identified.

Methods

The recombinant protein apo‐Cox172s‐s, the functional state of Cox17 transferring Cu(I), was reacted with an excess of cisplatin to produce platinated Cox17 adducts, of which the platination sites were identified by high‐resolution Fourier transform ion cyclotron tandem mass spectrometry (FT‐ICR‐MS/MS) through electron capture dissociation (ECD).

Results

Primary FT‐ICR‐MS showed that mono‐platinated Cox17 adducts were the main products, and top‐down MS/MS results indicated that cisplatin bound to the Cys26 or Cys27 residue which is the binding site of cuprous ions in apo‐Cox172s‐s.

Conclusions

This is the first report for identification of the main binding sites of cisplatin to Cox17 by top‐down high‐resolution mass spectrometry, providing direct evidence for the competitive coordination with Cox17 of cisplatin and cuprous ions. These findings will also be helpful to understand further how Cox17 facilitates cisplatin accumulation in mitochondria, and how cisplatin disturbs the transportation of cuprous ions. Copyright © 2016 John Wiley & Sons, Ltd.
Screening for inhibitors of topoisomerase I from Lycoris radiata by combining ultrafiltration with liquid chromatography/mass spectrometry
Authors: Chen Guilin , Tian Yongqiang , Guo Mingquan
Published: August 2016

Rationale

Although crude Amaryllidaceae alkaloids (AAs) extracted from Lycoris radiata are reported to exhibit significant anti‐cancer activity, both the specific responsible alkaloid(s) and their targets remain elusive. Screening anti‐cancer AAs targeted on topoisomerase I from crude AAs could be very helpful in tackling these two challenging questions.

Methods

An ultrafiltration method combined with liquid chromatography/electrospray ionization mass spectrometry (UF‐LC/MS) was developed to screen for the inhibitors of topoisomerase I, which has been reported to mediate DNA unwinding during carcinoma proliferation. Enrichment factors (EFs) of different AAs were used to evaluate the binding affinity between AAs and topoisomerase I, and the AAs with higher EFs were further tested to validate the method.

Results

Eleven AAs from Lycoris radiata (ten of which were identified) were screened using UF‐LC/MS, and a glaring discrepancy in EFs was revealed for the first time. One of the AAs, hippeastrine, with the highest EF at 49.3%, was further tested against topoisomerase I, and the IC50 value of hippeastrine was determined to be 23.0 μmol/L, which is comparable with the well‐known anti‐cancer drug camptothecin at 19.3 μmol/L.

Conclusions

A simple, rapid and effective screening method using UF‐LC/MS was developed and successfully applied to screen candidate inhibitors of topoisomerase I from crude AAs in Lycoris radiata, which may pave the way to further understand the potential anti‐cancer constituents and mechanisms of Lycoris radiata. Copyright © 2016 John Wiley & Sons, Ltd.
Distance‐based time series classification approach for task recognition with application in surgical robot autonomy
Authors: Fard Mahtab J. , Pandya Abhilash K. , Chinnam Ratna B. , Klein Michael D. , Ellis R. Darin
Published: August 2016

Background

Robotic‐assisted surgery allows surgeons to perform many types of complex operations with greater precision than is possible with conventional surgery. Despite these advantages, in current systems, a surgeon should communicate with the device directly and manually. To allow the robot to adjust parameters such as camera position, the system needs to know automatically what task the surgeon is performing.

Methods

A distance‐based time series classification framework has been developed which measures dynamic time warping distance between temporal trajectory data of robot arms and classifies surgical tasks and gestures using a k‐nearest neighbor algorithm.

Results

Results on real robotic surgery data show that the proposed framework outperformed state‐of‐the‐art methods by up to 9% across three tasks and by 8% across gestures.

Conclusion

The proposed framework is robust and accurate. Therefore, it can be used to develop adaptive control systems that will be more responsive to surgeons' needs by identifying next movements of the surgeon. Copyright © 2016 John Wiley & Sons, Ltd.
Pseudo maximum likelihood approach for the analysis of multivariate left‐censored longitudinal data
Authors: Solomon Ghideon , Weissfeld Lisa
Published: August 2016

The linear mixed effects model based on a full likelihood is one of the few methods available to model longitudinal data subject to left censoring. However, a full likelihood approach is complicated algebraically because of the large dimension of the numeric computations, and maximum likelihood estimation can be computationally prohibitive when the data are heavily censored. Moreover, for mixed models, the complexity of the computation increases as the dimension of the random effects in the model increases. We propose a method based on pseudo likelihood that simplifies the computational complexities, allows a wide class of multivariate models, and that can be used for many different data structures including settings where the level of censoring is high. The motivation for this work comes from the need for a joint model to assess the joint effect of pro‐inflammatory and anti‐inflammatory biomarker data on 30‐day mortality status while simultaneously accounting for longitudinal left censoring and correlation between markers in the analysis of Genetic and Inflammatory Markers for Sepsis study conducted at the University of Pittsburgh. Two markers, interleukin‐6 and interleukin‐10, which naturally are correlated because of a shared similar biological pathways and are left‐censored because of the limited sensitivity of the assays, are considered to determine if higher levels of these markers is associated with an increased risk of death after accounting for the left censoring and their assumed correlation. Copyright © 2016 John Wiley & Sons, Ltd.
Reversible Electropolymerization of Nickel Complexes Based on Redox‐Mediated Ligand Exchange
Authors: Rudenko Andrey E. , Clayman Naomi E. , Maclaren Jana K. , Waymouth Robert M.
Published: August 2016

Controlled and reversible ligand exchange reactions are useful tools for modulating reactivity of transition metal complexes. Here, we present a reversible electropolymerization of nickel azopyridine (azpy) complexes based on the redox‐controlled diimine ligand exchange reaction. Upon a single electron reduction, (azpy)NiBr2 disproportionates to afford (azpy)2Ni and a [NiBr4]2−, while in situ 1e− oxidation of this mixture leads to complete restoration of the original complex. Reversible intermetallic ligand exchange is also demonstrated between nickel and cobalt or iron azopyridine complexes. This facile and quantitative ligand exchange reaction was utilized to develop a reversible electropolymerization strategy to generate nickel metallopolymers containing redox‐active azobispyridine ligands.
Comprehensive Evaluation of Biomolecular Interactions between Protein and Amino Acid Based‐Ionic Liquids: A Comparable Study between [Bmim][Br] and [Bmim][Gly] Ionic Liquids
Authors: Bisht Meena , Jha Indrani , Venkatesu Pannuru
Published: August 2016

Protein is one of the most intricate and overriding biological system. Over the past years, there is an increased demand to consider ionic liquids (ILs) as novel biocompatible co‐solvents for proteins.The overwhelming attention grabbed by new‐generation ‘‘amino acid ionic liquids (AAILs)’’among various fields of modern chemistry and biology, has been attributed to their unique and designer nature. However, the stability of proteins in such AAILs is still untouched. Therefore, we have synthesized 1‐butyl‐3‐methylimidazolium glycine ([Bmim][Gly]) in which anion is directly derived from natural amino acid and characterized to improve the stability of stem bromelain (BM). Since, it is speculated that replacement of cation/anion with the amino acids (AAs) will improve the stability of protein. Therefore, the main aim of present work is to highlight the influence of [Bmim][Gly] on the conformational stability and activity of BM. Furthermore, enzyme's stability and activity arecompared with the conventional imidazolium‐based ionic liquid i. e. 1‐butyl‐3‐methylimidazolium bromide [Bmim][Br] by using spectroscopic techniques, enzyme assay and molecular docking. Our study shows that both studied ILs interact with functional groups of BM. As a result, in contrast to our expectation it appears that [Bmim][Br] stabilizes BM more than [Bmim][Gly]. We believe that present study will provide new insights into the interactions between enzyme and AAILs in the field of protein stabilization.
Mononuclear Neutral Boron Hydrides Affordable as [N,N’] Chelates of Iminophosphonamides
Authors: Prashanth Billa , Srungavruksham Nagarjuna Kumar , Singh Sanjay
Published: August 2016

Reaction of the iminophosphonamine ligand, LH with BHCl2⋅SMe2 afforded the adduct LH⋅BHCl2 (1) at room temperature (LH=[(2,6‐iPr2C6H3N)P(Ph2)(NtBu)]H). However, when the lithium iminophosphonamide, LLi⋅2OEt2 was reacted with BHCl2⋅SMe2, PhBCl2 and BH2Cl⋅SMe2 the corresponding mononuclear heteroleptic boron complexes, LBHCl (2), LB(Ph)Cl (3) and LBH2 (4) were obtained. A phenylborane complex, LB(Ph)H (5) was prepared in good yields by the substitution of Cl− in 3 with H− using AlH3⋅NMe2Et. Complexes 2, 4 and 5 represent first examples of boron hydrides incorporated in four‐membered chelates. All the complexes (except 3) reported in this work provide different number of reactive hydride groups at central boron atom and could be useful synthon in stepwise functionalization of the B−H bonds. Complexes 1–5 were characterized using multinuclear NMR, IR and HRMS techniques. Solid state structures of complexes 1–5 have also been elucidated using single crystal X‐ray diffraction technique.
Polymeric Complex of 1‐Phenylsulfanyl/selenylmethyl‐1H‐Benzotriazole with Ag(I): Pre–catalystfor A3 Coupling Affording Propargylamines on aGram/Lab Scale
Authors: Sharma Kamal N. , Sharma Alpesh K. , Joshi Hemant , Singh Ajai K.
Published: August 2016

A3 coupling of aldehyde, amine and phenylacetylene catalyzed with [AgL1/L2(amine)]+ generated in situ from a polymeric complex[{Ag(μ‐L1/L2)NO3}n] where L1=1‐phenylsulfanylmethyl‐1H‐benzotriazole and L2=1‐phenylselenylmethyl‐1H‐benzotriazole) was found suitable for gram and lab scale synthesis of propargylamines (Yield up to 88 and 94 %, respectively) at 60 °C in 3 h. The catalytic process is simple and applicable to various combinations of aldehyde and amine substrates. 1‐Chloromethyl‐1H‐benzotriazole was reacted with PhSNa and PhSeNa, generated in situ, to prepare ligands L1 and L2, respectively. The reactions of AgNO3 with L1 and L2in acetonitrile at 70 °C resulted in [{Ag(μ‐L)NO3}n] (1 and 2,when L=L1 and L2respectively), stable under ambient conditions including light. The ligands and complexes have been characterized with 1H, 13C{1H} and 77Se{1H} NMR spectroscopy and mass spectrometry. The single crystal structures of 1 and 2 have been determined by X‐ray diffraction. The Ag–S and Ag–Se bond lengths in 1 and 2are 2.466(2) and 2.5334(17) Å, respectively.
Prussian Blue‐Manganese Hexacyanoferrate Nanocomposite as Multifunctional High Performance Electrode Material
Authors: Agarwal Rahul , Sharma Manoj K. , Bhattacharyya Kaustava
Published: August 2016

Prussian blue‐manganese hexacyanoferrate (PB‐MnHCF) nanocomposite is electrochemically deposited on glassy carbon (GC) electrode by potential cycling method from solution containing equimolar mixture of Fe3+, Mn2+ and [Fe(CN)6]3− ions. The film is characterized by CV, XPS, EDS, UV‐Vis spectroscopy and the surface topography is seen by AFM technique. It shows high specific capacitance of 1333±95 F g−1 (areal capacitance of 11±0.5 mF cm−2 or absolute capacitance of 767±34 μF), high specific power density of 3475±97 W kg−1, high specific energy density of 185±13 W h kg−1 at a current density of 7 A g−1 and excellent cycling stability (93 % capacitance retention up to 500 cycles) at a scan rate of 50 mV s−1 in 0.1 M KNO3 (pH=2) medium. It shows selective and sensitive electrocatalytic response towards H2O2 reduction with high sensitivity and low detection limit. It also shows electrocatalytic response towards ethanol oxidation with lower values of charge transfer resistance and Tafel slope along with prolonged stability in acidic solution. All of these demonstrate its potential candidature as a multifunctional high performance non‐precious electrode material for electrochemical supercapacitors, hydrogen peroxide sensing and ethanol oxidation.
Mn(III)‐Salen Protect Against Different ROS Species Generated by the Aβ16‐Cu Complex
Authors: Walke Gulshan R. , Ranade Dnyanesh S. , Bapat Archika M. , Srikanth Rapole , Kulkarni Prasad P.
Published: August 2016

Aβ‐Cu complex generates different reactive oxygen species (ROS) which are responsible for oxidative stress in neuronal cells. We studied the effect of Mn(III)‐salen on Aβ‐Cu catalyzed ROS generation using different assays. Mn(III)‐salen reacts with O2•−generated by Aβ‐Cu and delay H2O2production. Mn(III)‐salen significantly inhibits the formation of HO•generated by Aβ‐Cu which is further confirmed using mass spectrometry analysis. Our results indicate that H2O2generated by Aβ‐Cu activates Mn(III)‐salen to oxomanganese which in turn detoxify Aβ‐Cu‐induced NO production in microglial cells. Overall, Mn(III)‐salen complex can efficiently inhibits different ROS generated by Aβ‐Cu due to its redox flexibility.
Synthesis of a Novel Magnetic Reusable Organocatalyst Based on 4‐Dialkylaminopyridines for Acyl Transformations
Authors: Panahi Farhad , Dangolani Soheila Khajeh , Khalafi‐Nezhad Ali
Published: August 2016

In this study, we have developed the synthesis of a new magnetic nanoparticles‐supported 4‐(dimethylamino)pyridine (DMAP)‐based catalyst to be use as a robust heterogeneous organocatalyst in organic transformations. The MNP‐DMAP is readily synthesized by a simple synthetic route from cheap and commercially accessible starting materials using normal laboratory techniques. To synthesize of MNP‐DMAP catalyst, silica‐coated magnetic nanoparticles (Fe3O4@SiO2) were reacted with trimethoxy(vinyl)silane to produce vinyl‐functionalized magnetic nanoparticles (VMNP). Subsequently, VMNP was oxidized to generate the MNP–oxiran (MNPO) material. Reaction of a MNPO substrate with N‐methylpyridin‐4‐amine resulted in the production of MNP‐DMAP catalyst. The MNP‐DMAP material was characterized using different techniques such as FT‐IR, XRD, TEM, SEM, EDX, VSM, TGA, and elemental analysis. The catalytic activity of MNP‐DMAP was evaluated in the acylation of hydroxyl and amino functionalized substrates under mild and solvent‐free conditions. The catalyst was very efficient in the reactions and it was reusable at least for 16 times without significant decreasing in its catalytic activity.
Design, Synthesis and Bioassays of 3‐Substituted‐3‐Hydroxyoxindoles for Cholinesterase Inhibition
Authors: Totobenazara Jane , Bacalhau Patrícia , Juan Amor A. San , Marques Carolina S. , Fernandes Luís , Goth Albertino , Caldeira A. Teresa , Martins Rosário , Burke Anthony J.
Published: August 2016

Based on the positive bioassay results of the known oxindole hit compound rac‐1‐benzyl‐3‐hydroxy‐3‐phenylindolin‐2‐one which showed significant inhibition of butyrylcholinesterase (BuChE) (IC50=7.41 μM), a library of 31 analogues of 3‐substituted‐3‐hydroxyoxindoles was synthesized and screened for both acetylcholinesterase (AChE) and BuChE activity. Our bioassays revealed that some of the new compounds exhibited moderate inhibition of eel AChE (EeAChE) and very good inhibition of equine serum BuChE (EqBuChE) with a best IC50 of 1.02 μM. On the basis of these results, the lead compound 1‐((1‐benzylpiperidin‐4‐yl)methyl)‐3‐hydroxy‐3‐phenylindolin‐2‐one was designed, which was shown to interact well with the enzymes active sites by molecular docking, was synthesized and upon bioassay gave an IC50 of 6.61 μM for BuChE. Interestingly, when we separated rac‐benzyl‐3‐hydroxy‐3‐phenylindolin‐2‐one into the individual enantiomers (R)‐ and (S)‐benzyl‐3‐hydroxy‐3‐phenylindolin‐2‐one it was the latter enantiomer that gave the best IC50 of 6.19 μM for BuChE.
One‐Pot Facile Synthesis of 1,5‐Disubstituted Triazolyl Glycoconjugates from Nitrostyrenes
Authors: Mishra Kunj B. , Tiwari Vinod K.
Published: August 2016

Metal‐free different catalytic systems have been investigated for [3+2] cycloaddition reaction of glycosyl azides with nitro‐olefins for the synthesis of 1,5‐disubstituted‐1H‐1,2,3‐triazolyl glycoconjugates. A competitive study between p‐TsOH and diverse ammonium salts including phase transfer catalysts and room temperature ionic liquids as environmentally benign medium have been described to search the best one for glycoconjugation. Tetra butyl ammonium bromide was found to be the most appropriate catalyst and a series of 1,5‐disubstituted glyco‐triazoles has been achieved in good yield. All the developed glycoconjugates were characterized using spectroscopic analysis (IR, MS, 1H NMR, 13C NMR).
Visualizing Helical Wrapping of Semiconducting Single‐Walled Carbon Nanotubes by Surfactants and Their Impacts on Electronic Properties
Authors: Li Huaping , Zhou Lili
Published: August 2016

Helical wrapping of semiconducting single‐walled carbon nanotubes by surfactants has been considered as major driving forces for carbon nanotubes separation in aqueous solution using density gradient ultracentrifugation, gel chromatography, and aqueous two phase partition. The long‐time proposed helical wrapping of semiconducting SWCNTs by surfactants was visualized from AFM images showing the helical structures precisely oriented with respect to carbon nanotube axes. Helical wrapping of semiconducting SWCNTs by surfactants reduced the mobility by 10 times and negatively shifted voltage threshold (VT) for 6.2 V in semiconducting SWCNTs thin film transistors.
Inhibition of microRNA-495 Enhances Therapeutic Angiogenesis of Human Induced Pluripotent Stem Cells
Authors: Liang Jialiang , Huang Wei , Cai Wenfeng , Wang Lei , Guo Linlin , Paul Christian , Yu Xi-Yong , Wang Yigang
Published: August 2016

Therapeutic angiogenesis has emerged as a promising strategy to regenerate the damaged blood vessels resulting from ischemic diseases such as myocardial infarction (MI). However, the functional integration of implanted endothelial cells (ECs) in infarcted heart remains challenging. We herein develop an EC generation approach by inhibiting microRNA-495 (miR-495) in human induced pluripotent stem cells (hiPSCs) and assess the angiogenic potential for MI treatment. The anti-angiogenic miR-495 belonging to Dlk1-Dio3 miR cluster was identified through expression profiling and computational analysis. Loss-of-function experiments for miR-495 were performed using a lentiviral transfer of antisense sequence in hiPSCs. The pluripotency of hiPSCs was not impacted by the genetic modification. Induced with differentiation medium, miR-495 inhibition enhanced the expression of EC genes of hiPSCs, as well as the yield of ECs. Newly derived ECs displayed prominent angiogenic characteristics including tube formation, cell migration, and proliferation. Mechanistically, miR-495 mediated the expression of endothelial or angiogenic genes by directly targeting vascular endothelial zinc finger 1. After transplantation in immunodeficient MI mice, the derived ECs significantly increased neovascularization in the infarcted heart, prevented functional worsening, and attenuated expansion of infarct size. The functional integration of the implanted ECs into coronary networks was also enhanced by inhibiting miR-495. miR-495 represents a new target not only for promoting EC generation from hiPSCs but also for enhancing angiogenesis and engraftment of hiPSC-derived ECs in ischemic heart.
Phosphodiesterase7 Inhibition Activates Adult Neurogenesis in Hippocampus and Subventricular Zone In Vitro and In Vivo
Authors: Morales-Garcia Jose A. , Echeverry-Alzate Victor , Alonso-Gil Sandra , Sanz-SanCristobal Marina , Lopez-Moreno Jose A. , Gil Carmen , Martinez Ana , Santos Angel , Perez-Castillo Ana
Published: August 2016

The phosphodiesterase 7 (PDE7) enzyme is one of the enzymes responsible for controlling intracellular levels of cyclic adenosine 3′,5′-monophosphate in the immune and central nervous system. We have previously shown that inhibitors of this enzyme are potent neuroprotective and anti-inflammatory agents. In addition, we also demonstrated that PDE7 inhibition induces endogenous neuroregenerative processes toward a dopaminergic phenotype. Here, we show that PDE7 inhibition controls stem cell expansion in the subgranular zone of the dentate gyrus of the hippocampus (SGZ) and the subventricular zone (SVZ) in the adult rat brain. Neurospheres cultures obtained from SGZ and SVZ of adult rats treated with PDE7 inhibitors presented an increased proliferation and neuronal differentiation compared to control cultures. PDE7 inhibitors treatment of neurospheres cultures also resulted in an increase of the levels of phosphorylated cAMP response element binding protein, suggesting that their effects were indeed mediated through the activation of the cAMP/PKA signaling pathway. In addition, adult rats orally treated with S14, a specific inhibitor of PDE7, presented elevated numbers of proliferating progenitor cells, and migrating precursors in the SGZ and the SVZ. Moreover, long-term treatment with this PDE7 inhibitor shows a significant increase in newly generated neurons in the olfactory bulb and the hippocampus. Also a better performance in memory tests was observed in S14 treated rats, suggesting a functional relevance for the S14-induced increase in SGZ neurogenesis. Taken together, our results indicate for the first time that inhibition of PDE7 directly regulates proliferation, migration and differentiation of neural stem cells, improving spatial learning and memory tasks.
Enhanced Hematopoietic Stem Cell Self-Renewal-Promoting Ability of Clonal Primary Mesenchymal Stromal/Stem cells Versus Their Osteogenic Progeny
Authors: He Qiling , Scott Swindle Claude , Wan Chao , Flynn Robert J. , Oster Robert A. , Chen Dongquan , Zhang Fengjie , Shu Yinglan , Klug Christopher A.
Published: August 2016

Long-term self-renewing hematopoietic stem cell (LT-HSC) homeostasis within the bone marrow (BM) of adult mammals is regulated by complex interactions between LT-HSC and a number of niche-associated cell types including mesenchymal stromal/stem cells (MSC), osteoblasts (OB), macrophage, and neuronal cells in close proximity with the vasculature. Here, we cloned and functionally characterized a murine BM MSC subpopulation that was uniformly Nestin+Lepr +Sca-1+CD146+ and could be stably propagated with high colony-forming unit fibroblast re-cloning efficiency. MSC synergized with SCF and IL-11 to support a 20-fold expansion in true LT-HSC after 10-days of in vitro coculture. Optimal stimulation of LT-HSC expansion was minimally dependent on Notch signaling but was significantly enhanced by global inhibition of Wnt signaling. The self-renewal-promoting activity of MSC was progressively lost when MSC clones were differentiated into mature OB. This suggests that the stage of osteoblast development may significantly impact the ability of osteolineage cells to support LT-HSC homeostasis in vivo.
Thinking by classes in data science: the symbolic data analysis paradigm
Authors: Diday Edwin
Published: August 2016

Data Science, considered as a science by itself, is in general terms, the extraction of knowledge from data. Symbolic data analysis (SDA) gives a new way of thinking in Data Science by extending the standard input to a set of classes of individual entities. Hence, classes of a given population are considered to be units of a higher level population to be studied. Such classes often represent the real units of interest. In order to take variability between the members of each class into account, classes are described by intervals, distributions, set of categories or numbers sometimes weighted and the like. In that way, we obtain new kinds of data, called ‘symbolic’ as they cannot be reduced to numbers without losing much information. The first step inSDAis to build the symbolic data table where the rows are classes and the variables can take symbolic values. The second step is to study and extract new knowledge from these new kinds of data by at least an extension of Computer Statistics and Data Mining to symbolic data.SDAis a new paradigm which opens up a vast domain of research and applications by giving complementary results to classical methods applied to standard data.SDAalso gives answers to big data and complex data challenges as big data can be reduced and summarized by classes and as complex data with multiple unstructured data tables and unpaired variables can be transformed into a structured data table with paired symbolic‐valued variables.WIREs Comput Stat2016, 8:172–205. doi: 10.1002/wics.1384

This article is categorized under:

Statistical Learning and Exploratory Methods of the Data Sciences > Clustering and Classification

Statistical Learning and Exploratory Methods of the Data Sciences > Exploratory Data Analysis