bluuebunny/crossref_metadata_2025 huggingface dataset:
Asymmetric Synthesis of Fluorinated Isoindolinones through Palladium‐Catalyzed Carbonylative Amination of Enantioenriched Benzylic Carbamates
Authors: Barrio Pablo , Ibáñez Ignacio , Herrera Lidia , Román Raquel , Catalán Silvia , Fustero Santos
Published: June 2015

The asymmetric synthesis of fluorinated isoindolinones has been achieved by a palladium‐catalyzed aminocarbonylation reaction of the corresponding α‐fluoroalkyl o‐iodobenzylamines. A base‐mediated anti β‐hydride elimination process was suggested to explain the partial erosion of the optical purity observed in some cases. This mechanistic rationale enabled the minimization of this partial racemization by fine‐tuning the pKa of the base.
Amino Acid Chirality and Ferrocene Conformation Guided Self‐Assembly and Gelation of Ferrocene–Peptide Conjugates
Authors: Adhikari Bimalendu , Singh Charanpreet , Shah Afzal , Lough Alan J. , Kraatz Heinz‐Bernhard
Published: June 2015

The self‐assembly and gelation behavior of a series of mono‐ and disubstituted ferrocene (Fc)–peptide conjugates as a function of ferrocene conformation and amino acid chirality are described. The results reveal that ferrocene–peptide conjugates self‐assemble into organogels by controlling the conformation of the central ferrocene core, through inter‐ versus intramolecular hydrogen bonding in the attached peptide chain(s). The chirality controlled assembling studies showed that two monosubstituted Fc conjugates FcCO–LFLFLA‐OMe and FcCO–LFLFDA‐OMe form gels with nanofibrillar network structures, whereas the other two diastereomers FcCO–DFLFLA‐OMe and FcCO–LFDFLA‐OMe exclusively produced straight nanorods and non‐interconnected small fibers, respectively. This suggests the potential tuning of gelation behavior and nanoscale morphology by altering the chirality of constituted amino acids. The current study confirms the profound effect of diastereomerism and no influence of enantiomers on gelation. Correspondingly, the diastereomeric and enantiomeric Fc[CO‐FFA‐OMe]2 were constructed for the study of chirality‐organized structures.
Nickel‐Catalyzed Insertion of Alkynes and Electron‐Deficient Olefins into Unactivated sp3 CH Bonds
Authors: Maity Soham , Agasti Soumitra , Earsad Arif Mahammad , Hazra Avijit , Maiti Debabrata
Published: June 2015

Insertion of unsaturated systems such as alkynes and olefins into unactivated sp3 CH bonds remains an unexplored problem. We herein address this issue by successfully incorporating a wide variety of functionalized alkynes and electron‐deficient olefins into the unactivated sp3 CH bond of pivalic acid derivatives with excellent syn‐ and linear‐ selectivity. A strongly chelating 8‐aminoquinoline directing group proved beneficial for these insertion reactions, while an air‐stable and inexpensive NiII salt has been employed as the active catalyst.
A Water‐soluble Conjugated Polymer for Thiol Detection Based on "Turn‐off" Effect
Authors: Zeng Gaoshan , Li Jie , Liang Hao , Yuan Yan , Li Xiang , Yin Chao , Yang Zhen , Fan Quli , Lu Xiaomei , Huang Wei
Published: June 2015

We investigated a novel water‐soluble conjugated polymer (WSCP) for thiol detection based on "turn‐off" effect. This WSCP was modified with poly(ethylene glycol) (PEG) by disulfide linkages to achieve good solubility in aqueous solution (34 mg/mL) and high quantum yield (0.47). The separation of water‐soluble PEG chains from the conjugated backbone induced by the cleavage of the disulfide linkages would lead to a significant decrease of the water solubility and a dramatical fluorescence quenching of the probe. The combined intuitive images and fluorescence spectrophotometer further confirmed that decreased solubility produced an aggregation of the hydrophobic conjugated backbone. The fluorescence intensity of the probe showed a good linear relationship with glutathione (GSH) (1–200 nmol·L−1), and the detection limit was 16 nmol·L−1. This WSCP probe was confirmed to be a good sensing material with high selectivity to thiols by testing various biological molecules. And this WSCP probe exhibited good detection effect to intracellular thiols by testing Hela cells. Considering the good sensitivity and selectivity, the probe could be further used in vivo. In conclusion, this conjugated polymer probe made up for the drawbacks of the micromolecue probes and contributed to the development of new probes based on conjugated polymers.
Preparation and Photoelectric and Magnetic Properties of Cu2MnSnS4 Nanosheets
Authors: Shi Liang , Li Yanan , Wu Chunyan , Zheng Ren‐Kui
Published: June 2015

Uniform Cu2MnSnS4 nanosheets with an average size of 50 nm are synthesized through a mild solvothermal solution approach. The as‐prepared Cu2MnSnS4 nanosheets have the wurtzite structure and are oriented parallel to the (002) crystal plane. The structure, morphology, composition, and optical absorption properties of the as‐prepared samples are characterized by X‐ray powder diffraction, transmission electron microscopy, energy dispersive X‐ray spectrometry, scanning electron microscopy, and UV/Vis spectrophotometry. The formation mechanism of the Cu2MnSnS4 nanosheets is also discussed. A thin film prepared from the Cu2MnSnS4 nanosheets displays a clear photoelectric response, suggesting its potential application as a low‐cost solar absorber material. The Cu2MnSnS4 nanosheets are also found to show weak ferromagnetic behavior below 5 K.
N‐Doped Carbon‐Coated Tungsten Oxynitride Nanowire Arrays for Highly Efficient Electrochemical Hydrogen Evolution
Authors: Li Qun , Cui Wei , Tian Jingqi , Xing Zhicai , Liu Qian , Xing Wei , Asiri Abdullah M. , Sun Xuping
Published: June 2015

It is highly desired but still challenging to develop active nonprecious metal hydrogen evolution reaction (HER) electrocatalysts operating under all pH conditions. Herein, the development of three‐dimensional N‐doped carbon‐coated tungsten oxynitride nanowire arrays on carbon cloth as a highly efficient and durable HER cathode was explored. The material delivers current densities of 10 and 100 mA cm−2 at overpotentials of 106 and 172 mV, respectively, in acidic medium, and it also performs well in neutral and basic electrolytes.
Mo‐V‐Phosphoric Heteropoly Acids and Their Salts: Aqueous Solution Preparation – Challenges and Perspectives
Authors: Odyakov Victor F. , Zhizhina Elena G. , Rodikova Yulia A. , Gogin Leonid L.
Published: June 2015

Vanadium‐containing heteropoly acids (HPAs) are effective acidic and oxidizing catalysts in various reactions. The existing wide application of such catalysts requires their safe, waste‐free, and easy preparation on a large scale. Unfortunately, the so‐calledether method, first suggested more than 100 years ago, is still mainly used for the purpose, producing a lot of harmful waste material. Nowadays environmental safety requirements necessitate revision of such preparation processes and searching for alternative methods of synthesis. At present, there exist a range of new methods for preparing HPAs, with a so‐calledperoxide methodseeming to be the most generally applicable one. For this reason, the aim of this review is to discuss some recent progress in obtaining aqueous solutions of Keggin and Wells–Dawson Mo‐V‐P HPAs and their salts. These solutions can be used as individual homogeneous oxidation catalysts, bifunctional catalysts for one‐pot acidic and oxidizing transformations, or precursors for preparing their heterogeneous analogues.
Thiourea‐Bridged Nanodiamond Glycoconjugates as Inhibitors of Bacterial Adhesion
Authors: Fessele Claudia , Wachtler Stefan , Chandrasekaran Vijayanand , Stiller Carina , Lindhorst Thisbe K. , Krueger Anke
Published: June 2015

The study of bacterial adhesion is crucial to our understanding of infection processes as well as for the development of antiadhesives. Here we have investigated new nanodiamond glycoconjugates intended to inhibit adhesion of type 1 fimbriated E. coli bacteria. For conjugation of saccharides and nanodiamond, thiourea‐bridging was employed, a method that has not been used before in nanodiamond derivatization. Amino‐prefunctionalized diamond nanoparticles were prepared employing aromatic diazonium salts and reacted with different isothiocyanato‐functionalized mannose derivatives. The resulting glyconanodiamonds were characterized and then tested in bacterial binding assays. They are recognized by the bacterial protein FimH according to the structure‐activity relationships known for this lectin. Thus, owing to the particular properties of nanodiamond, a valuable material is introduced with the potential to control bacterial adhesion and colonization in a favorable way.
Reactivity of N‐Boc‐Protected Amino‐Ynones in the Presence of Zinc Chloride: Formation of Acetylenic Cyclic Imines and Their Palladium Complexes
Authors: Vu Huy‐Dinh , Renault Jacques , Roisnel Thierry , Robert Clémence , Jéhan Philippe , Gouault Nicolas , Uriac Philippe
Published: June 2015

Amino‐ynones can be seen as precursors of various heterocyclic rings. Although γ‐amino‐ynones have been used to prepare exocyclic vinylogous amides in the presence of Brønsted acids, we describe here the use of zinc chloride as a weak Lewis acid for their conversion into acetylenic cyclic imines. This reaction, which was attempted for a diverse range of γ‐amino‐ynones, proved to be robust and efficient in most cases and was easily extended to δ‐amino‐ynones to yield various acetylenic cyclic imines. Depending on the workup procedure, the latter compounds could be isolated either as free organic compounds or as zinc complexes. The ability of these cyclic imines to form complexes with palladium is also reported.
Removal of multiwalled carbon nanotube contaminants from surfaces with microscale topological features
Authors: Karimi Zahra , Su Paul , Hassan Syed , Haghpanah Babak , Doerr William , Vaziri Ashkan
Published: June 2015

Experiments were performed to examine the efficiency of surfactants to remove multi‐walled carbon nanotubes (MWCNTs) from silicon substrates with nano and microscaled features. In the first set of experiments, nanoscale features were induced on silicon wafers using SF6 and O2 plasma. In the second set, well‐defined microscale topological features were induced on silicon wafers using photo lithography and plasma etching. The etching time was varied to create semi‐ellipsoidal pits with average diameter and height of ∼7–9 µm, and ∼1–3 µm, respectively. For the cleaning process, the MWCNTs were wiped off using a simple wiping mechanism by two different surfactants and distilled water. The areal density of the MWCNTs was quantified prior to and after the removal using scanning electron microscopy (SEM) and post‐image processing. For a surface featured with nanoscale asperities, the removal efficiency was measured to be in the range 83–99% based on substrate type and surface roughness. No evident relationship was observed between the etching time and the removal efficiency. For surfaces with microscale features, increasing the etching time results in appearance of larger pits and significant decrease in the removal efficiency. © 2015 American Institute of Chemical Engineers Environ Prog, 35: 161–168, 2016
Impact of local conditions on bio‐based chemical process design: selection of input feedstock and production scale and scenario
Authors: Nguyen Thuy T.H. , Kikuchi Yasunori , Noda Masaru , Hirao Masahiko
Published: June 2015

Economic incentive is an important driving force for the implementation of bio‐based chemical industry. The economic performance of a bio‐based chemical process is influenced strongly by the input biomass feedstock and production scale and scenario that must be selected with respect to the local conditions, such as the availability, distribution, and transportation distance of biomass feedstocks, which differ according to regional productivity, regional production scale, and geographical distribution of biomass resources. In this study, by assessing the economic indicator, we examine the impact of local conditions on the selection of input feedstock and production scale and scenario on the design of bio‐based chemical processes. Considering the local conditions of Vietnam and Japan, the economic performance of a bio‐based chemical process producing ethyl acetate is evaluated. The results show that the conditions in Vietnam, which has low productivity and wide distribution of biomass feedstocks, have a stronger impact on the economic viability of bio‐based chemical plants. In Japan, fewer options for feedstock selection are provided, but larger production scale and lower production cost can be achieved. © 2015 American Institute of Chemical Engineers Environ Prog, 35: 174–182, 2016
Enzymatic treatment of soy protein isolates: effects on the potential allergenicity, technofunctionality, and sensory properties
Authors: Meinlschmidt Pia , Sussmann Daniela , Schweiggert‐Weisz Ute , Eisner Peter
Published: June 2015

Soybean allergy is of great concern and continues to challenge both consumer and food industry. The present study investigates the enzyme‐assisted reduction in major soybean allergens in soy protein isolate using different food‐grade proteases, while maintaining or improving the sensory attributes and technofunctional properties. SDS‐PAGE analyses showed that hydrolysis with Alcalase, Pepsin, and Papain was most effective in the degradation of the major soybean allergens with proteolytic activities of 100%, 100%, and 95.9%, respectively. In the course of hydrolysis, the degree of hydrolysis increased, and Alcalase showed the highest degree of hydrolysis (13%) among the proteases tested. DSC analysis confirmed the degradation of major soybean allergens. The sensory experiments conducted by a panel of 10 panelists considered the overall improved sensory properties as well as the bitterness of the individual hydrolysates. In particular, Flavourzyme and Papain were attractive due to a less pronounced bitter taste and improved sensory profile (smell, taste, mouthfeeling). Technofunctional properties showed a good solubility at pH 7.0 and 4.0, emulsifying capacity up to 760 mL g−1 (Flavourzyme) as well as improved oil‐binding capacities, while the water‐binding properties were generally decreased. Increased foaming activity for all proteases up to 3582% (Pepsin) was observed, whereas lower foaming stability and density were found. The hydrolysates could potentially be used as hypoallergenic ingredients in a variety of food products due to their improved technofunctional properties and a pleasant taste.
Axo‐glial communication through neurexin‐neuroligin signaling regulates myelination and oligodendrocyte differentiation
Authors: Proctor Dustin T. , Stotz Stephanie C. , Scott Lucas O. M. , de la Hoz Cristiane L. R. , Poon Kelvin W. C. , Stys Peter K. , Colicos Michael A.
Published: June 2015

Axonal transsynaptic signaling between presynaptic neurexin (NX) and postsynaptic neuroligin (NL) is essential for many properties of synaptic connectivity. Here, we demonstrate the existence of a parallel axo‐glial signaling pathway between axonal NX and oligodendritic (OL) NL3. We show that this pathway contributes to the regulation of myelinogenesis, the maintenance of established myelination, and the differentiation state of the OL using in vitro models. We first confirm that NL3 mRNA and protein are expressed in OLs and in OL precursors. We then show that OLs in culture form contacts with non‐neuronal cells exogenously expressing NL3's binding partners NX1α or NX1β. Conversely, blocking axo‐glial NX‐NL3 signaling by saturating NX with exogenous soluble NL protein (NL‐ECD) disrupts interactions between OLs and axons in both in vitro and ex vivo assays. Myelination by OLs is tied to their differentiation state, and we find that blocking NX‐NL signaling with soluble NL protein also caused OL differentiation to stall at an immature stage. Moreover, in vitro knockdown of NL3 in OLs with siRNAs stalls their development and reduces branching complexity. Interestingly, inclusion of an autism related mutation in the NL blocking protein attenuates these effects; OLs differentiate and the dynamics of OL‐axon signaling occur normally as this peptide does not disrupt NX‐NL3 axo‐glial interactions. Our findings provide evidence not only for a new pathway in axo‐glial communication, they also potentially explain the correlation between altered white matter and autism. GLIA 2015;63:2023–2039
Enteric glia express proteolipid protein 1 and are a transcriptionally unique population of glia in the mammalian nervous system
Authors: Rao Meenakshi , Nelms Bradlee D. , Dong Lauren , Salinas‐Rios Viviana , Rutlin Michael , Gershon Michael D. , Corfas Gabriel
Published: June 2015

In the enteric nervous system (ENS), glia outnumber neurons by 4‐fold and form an extensive network throughout the gastrointestinal tract. Growing evidence for the essential role of enteric glia in bowel function makes it imperative to understand better their molecular marker expression and how they relate to glia in the rest of the nervous system. We analyzed expression of markers of astrocytes and oligodendrocytes in the ENS and found, unexpectedly, that proteolipid protein 1 (PLP1) is specifically expressed by glia in adult mouse intestine. PLP1 and S100β are the markers most widely expressed by enteric glia, while glial fibrillary acidic protein expression is more restricted. Marker expression in addition to cellular location and morphology distinguishes a specific subpopulation of intramuscular enteric glia, suggesting that a combinatorial code of molecular markers can be used to identify distinct subtypes. To assess the similarity between enteric and extraenteric glia, we performed RNA sequencing analysis on PLP1‐expressing cells in the mouse intestine and compared their gene expression pattern to that of other types of glia. This analysis shows that enteric glia are transcriptionally unique and distinct from other cell types in the nervous system. Enteric glia express many genes characteristic of the myelinating glia, Schwann cells and oligodendrocytes, although there is no evidence of myelination in the murine ENS. GLIA 2015;63:2040–2057
4′‐modified nucleoside analogs: Potent inhibitors active against entecavir‐resistant hepatitis B virus
Authors: Takamatsu Yuki , Tanaka Yasuhito , Kohgo Satoru , Murakami Shuko , Singh Kamalendra , Das Debananda , Venzon David J. , Amano Masayuki , Higashi‐Kuwata Nobuyo , Aoki Manabu , Delino Nicole S. , Hayashi Sanae , Takahashi Satoru , Sukenaga Yoshikazu , Haraguchi Kazuhiro , Sarafianos Stefan G. , Maeda Kenji , Mitsuya Hiroaki
Published: June 2015

Certain nucleoside/nucleotide reverse transcriptase (RT) inhibitors (NRTIs) are effective against human immunodeficiency virus type 1 (HIV‐1) and hepatitis B virus (HBV). However, both viruses often acquire NRTI resistance, making it crucial to develop more‐potent agents that offer profound viral suppression. Here, we report that 4′‐C‐cyano‐2‐amino‐2′‐deoxyadenosine (CAdA) is a novel, highly potent inhibitor of both HBV (half maximal inhibitory concentration [IC50] = 0.4 nM) and HIV‐1 (IC50 = 0.4 nM). In contrast, the approved anti‐HBV NRTI, entecavir (ETV), potently inhibits HBV (IC50 = 0.7 nM), but is much less active against HIV‐1 (IC50 = 1,000 nM). Similarly, the highly potent HIV‐1 inhibitor, 4′‐ethynyl‐2‐fluoro‐2′‐deoxyadenosine (EFdA; IC50 = 0.3 nM) is less active against HBV (IC50 = 160 nM). Southern analysis using Huh‐7 cells transfected with HBV‐containing plasmids demonstrated that CAdA was potent against both wild‐type (IC50 = 7.2 nM) and ETV‐resistant HBV (IC50 = 69.6 nM for

), whereas ETV failed to reduce

DNA even at 1 μM. Once‐daily peroral administration of CAdA reduced

viremia (P = 0.0005) in human‐liver‐chimeric/

–infected mice, whereas ETV completely failed to reduce

viremia. None of the mice had significant drug‐related body‐weight or serum human‐albumin concentration changes. Molecular modeling suggests that a shallower HBV‐RT hydrophobic pocket at the polymerase active site can better accommodate the slightly shorter 4′‐cyano of CAdA‐triphosphate (TP), but not the longer 4′‐ethynyl of EFdA‐TP. In contrast, the deeper HIV‐1‐RT pocket can efficiently accommodate the 4′‐substitutions of both NRTIs. The ETV‐TP's cyclopentyl ring can bind more efficiently at the shallow HBV‐RT binding pocket. Conclusion: These data provide insights on the structural and functional associations of HBV‐ and HIV‐1‐RTs and show that CAdA may offer new therapeutic options for HBV patients. (Hepatology 2015;62:1024‐1036)
Corruption costs lives: a cross‐country study using an IV approach
Authors: Lio Mon‐Chi , Lee Ming‐Hsuan
Published: June 2015

This study quantitatively estimates the effects of corruption on five major health indicators by using recent cross‐country panel data covering 119 countries for the period of 2005–2011. The corruption indicators provided by the World Bank and Transparency International are used, and both the two‐way fixed effect and the two‐stage least squares approaches are employed for our estimation. The estimation results show that, in general, corruption is negatively associated with a country's health outcomes. A lower level of corruption or a better control of corruption in a country can lead to longer life expectancy, a lower infant mortality rate and a lower under‐five mortality rate for citizens. However, our estimation finds no significant association between corruption and individual diseases including human immunodeficiency virus prevalence and tuberculosis incidence. The findings suggest that corruption reduction itself is an effective method to promote health. Copyright © 2015 John Wiley & Sons, Ltd.
The fabrication of double layer tubular vascular tissue engineering scaffold via coaxial electrospinning and its 3D cell coculture
Authors: Ye Lin , Cao Jie , Chen Lamei , Geng Xue , Zhang Ai‐Ying , Guo Lian‐Rui , Gu Yong‐Quan , Feng Zeng‐Guo
Published: June 2015

A continuous electrospinning technique was applied to fabricate double layer tubular tissue engineering vascular graft (TEVG) scaffold. The luminal layer was made from poly(ɛ‐caprolac‐tone)(PCL) ultrafine fibers via common single axial electrospinning followed by the outer layer of core‐shell structured nanofibers via coaxial electrospinning. For preparing the outer layernano‐fibers, the PCL was electrospun into the shell and both bovine serum albumin (BSA) and tetrapeptide val‐gal‐pro‐gly (VAPG) were encapsulated into the core. The core‐shell structure in the outer layer fibers was observed by transmission electron microscope (TEM). The in vitro release tests exhibited the sustainable release behavior of BSA and VAPG so that they provided a better cell growth environment in the interior of tubular scaffold wall. The in vitro culture of smooth muscle cells (SMCs) demonstrated their potential to penetrate into the scaffold wall for the 3D cell culture. Subsequently, 3D cell coculture was conducted. First, SMCs were seeded on the luminal surface of the scaffold and cultured for 5 days, and then endothelial cells (ECs) were also seeded on the luminal surface and cocultured with SMCs for another 2 days. After stained with antibodies, 3D cell distribution on the scaffold was revealed by confocal laser scanning microscopy (CLSM) where ECs were mainly located on the luminal surface whereas SMCs penetrated into the surface and distributed inside the scaffold wall. This double layer tubular scaffold with 3D cell distribution showed the promise to develop it into a novel TEVG for clinical trials in the near future. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 3863–3871, 2015.
NF‐κB decoy oligodeoxynucleotide inhibits wear particle‐induced inflammation in a murine calvarial model
Authors: Sato Taishi , Pajarinen Jukka , Lin Tzu‐hua , Tamaki Yasunobu , Loi Florence , Egashira Kensuke , Yao Zhenyu , Goodman Stuart B.
Published: June 2015

Wear particles induce periprosthetic inflammation and osteolysis through activation of nuclear factor kappa B (NF‐κB), which up‐regulates the downstream target gene expression for proinflammatory cytokines in macrophages. It was hypothesized that direct suppression of NF‐κB activity in the early phases of this disorder could be a therapeutic strategy for preventing the inflammatory response to wear particles, potentially mitigating osteolysis. NF‐κB activity can be suppressed via competitive binding with double stranded NF‐κB decoy oligodeoxynucleotides (ODNs) that blocks this transcription factor from binding to the promoter regions of targeted genes. In this murine calvarial study, clinically relevant polyethylene particles (PEs) with/without ODN were subcutaneously injected over the calvarial bone. In the presence of PE particles, macrophages migrated to the inflammatory site and induced tumor necrosis factor alpha (TNF‐α) and receptor activator of nuclear factor kappa B ligand (RANKL) expression, resulting in an increase in the number of osteoclasts. Local injections of ODN mitigated the expression of TNF‐α, RANKL, and induced the expression of two anti‐inflammatory, antiresorptive cytokines: interleukin‐1 receptor antagonist and osteoprotegerin. Local intervention with NF‐κB decoy ODN in early cases of particle‐induced inflammation in which the prosthesis is still salvageable may potentially preserve periprosthetic bone stock. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 3872–3878, 2015.
Characterization of neopeptides in equine articular cartilage degradation
Authors: Peffers Mandy Jayne , Thornton David James , Clegg Peter David
Published: June 2015

Osteoarthritis is characterized by a loss of extracellular matrix that leads to cartilage degradation and joint space narrowing. Specific proteases, including the aggrecanases ADAMTS‐4 and matrix metalloproteinase 3, are important in initiating and promoting cartilage degradation in osteoarthritis. This study investigated protease‐specific and disease‐specific cleavage patterns of particular extracellular matrix proteins by comparing new peptide fragments, neopeptides, in specific exogenous protease‐driven digestion of a crude cartilage proteoglycan extract and an in‐vitro model of early osteoarthritis. Additionally, equine cartilage explants were treated with interleukin‐1 and the media collected. Proteolytic cleavage products following trypsin digestion were then identified using tandem mass spectrometry. Complete sequences of proteolytically cleaved neopeptides were determined for the major cartilage proteoglycans aggrecan, biglycan, decorin, fibromodulin plus cartilage oligomeric matrix protein. The generation of neopeptides varied with enzyme specificity; however, some peptides were common to all samples. Previous known and novel cleavage sites were identifies. The identification of novel peptide fragments provides a platform for the development of antibodies that could assist in the identification of biomarkers for osteoarthritis (OA), as well as the identification of basic biochemical processes underlying OA. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:106–120, 2016.
Effect of tamoxifen on fatty degeneration and atrophy of rotator cuff muscles in chronic rotator cuff tear: An animal model study
Authors: Cho Edward , Zhang Yue , Pruznak Anne , Kim H. Mike
Published: June 2015

Fatty degeneration of the rotator cuff muscles is an irreversible change resulting from chronic rotator cuff tear and is associated with poor clinical outcomes following rotator cuff repair. We evaluated the effect of Tamoxifen, a competitive estrogen receptor inhibitor, on fatty degeneration using a mouse model for chronic rotator cuff tear. Sixteen adult mice were divided into two diet groups (Tamoxifen vs. Regular) and subjected to surgical creation of a large rotator cuff tear and suprascapular nerve transection in their left shoulder with the right shoulder serving as a control. The rotator cuff muscles were harvested at 16 weeks and subjected to histology and RT‐PCR for adipogenic and myogenic markers. Histology showed substantially decreased atrophy and endomysial inflammation in Tamoxifen group, but no significant differences in the amount of intramuscular adipocytes and lipid droplets compared to the Regular group. With RT‐PCR, the operated shoulders showed significant upregulation of myogenin and PPAR‐γ, and downregulation of myostatin compared to the nonsurgical shoulder. No significant differences of gene expression were found between the two diet groups. Our study demonstrated that tamoxifen diet leads to decreased muscle atrophy and inflammatory changes following chronic rotator cuff tear, but has no apparent effect on adipogenesis. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 33:1846–1853, 2015.
Competitive Effects of Stereocomplexation and Hyper‐Conjugation of Triethoxysilyl‐Terminated Poly(d‐lactide) in Poly(l‐lactide) matrices
Authors: Hyun Jungyub , Kimura Yoshiharu , Yamane Hideki
Published: June 2015

Triethoxysilyl‐terminated poly(d‐lactide)s (eSi‐PDLA) were successfully prepared by hydrosilylation of allyl‐terminated PDLAs (A‐PDLA‐ac) which were readily prepared by ring‐opening polymerization of d‐lactide and the following terminal protection by acetylation. Their acid‐catalyzed hydrolysis produced hyper‐conjugated PDLAs with terminal silanol coupling. Blend PLLA films containing eSi‐PDLA (Mn = 2.1 kDa) in 5‐25 wt.% were successfully prepared by the solution casting method. The blend films were found to take a nano‐porous or micro‐phase separation structure, being different from that of the blend PLLA films containing trimethoxysilyl‐terminated poly(d‐lactide) (mSi‐PDLA) which exhibited particle distribution structure. This difference was reasonably attributed to the different rate of hydrolytic polycondensation of the trimethoxy‐ and triethoxy‐silyl terminals. These results revealed that the competing sterecomplexation/ hyper‐conjugation/phase separation can afford specific morphologies, allowing fine control of properties.
Long‐term functional outcomes after total tongue reconstruction: Consideration of flap types, volume, and functional results
Authors: Jeong Woon Hyeok , Lee Won Jai , Roh Tai Suk , Lew Dae Hyun , Yun In Sik
Published: June 2015

Objective

The purpose of this study is to evaluate the long‐term results of flap volume change, swallowing capacity, speech intelligibility, and differences between vertical rectus musculocutaneous (VRAM) and anterolateral musculocutaneous (ALT) free flaps in total tongue reconstruction.

Patients and methods

We retrospectively analyzed the medical records of 31 patients who underwent total tongue reconstruction with VRAM (24 cases) and ALT flap (7 cases). The mean age of patients was 52.09 ± 2.25 years. The tumor types were as follows: squamous cell carcinoma (28 cases), adenoid cystic carcinoma (2 cases), and metastatic cancer (1 case). The flap volume was determined based on clinical and imaging examinations. Swallowing and speech function were analyzed using seven‐point rating scales.

Results

All flaps survived eventually after surgery; however, 1 patient underwent VRAM flap experienced partial flap necrosis, wound dehiscence in 4 patients underwent VRAM flap, and infection in 3 patients (VRAM; 2 patients, ALT; 1 patient). The mean follow‐up period was 3.97 ± 0.54 years. The volume of the flaps remained relatively constant over time. The swallowing capacity positively correlated with the flap volume (P < 0.0001); however, the speech intelligibility did not correlate with the flap volume in analysis of total cohort. There were no statistical differences in functional outcomes between the two types of reconstructed flaps (P > 0.05).

Conclusion

The preservation of flap volume was important to achieve superior swallowing capacity; however, it was insufficient to promote the speech outcome. The functional outcomes did not differ depending on the type of flap. © 2015 Wiley Periodicals, Inc. Microsurgery 37:190–196, 2017.
Identification and Validation Novel of VIM‐2 Metallo‐β‐lactamase Tripeptide Inhibitors
Authors: Xiao Jing , Fang Mi , Shi Yun , Chen Hui , Shen Bingzhen , Chen Jiao , Lao Xingzhen , Xu Hanmei , Zheng Heng
Published: June 2015

The development of novel inhibitors against metallo‐β‐lactamase is essential to remedy metallo‐β‐lactamase mediated bacterial resistance. A recently emerged metallo‐β‐lactamase, VIM‐2, has demonstrated resistance to existing β‐lactamase inhibitors in the clinic. In this study, a hybrid virtual screening protocol that combines pharmacophore modeling, molecular docking, and calculation of binding free energy was employed to screen an internal tripeptide database for novel inhibitors against VIM‐2. This resulted in four tripeptides (WWC, WCW, MCW, YCW) as potential inhibitors, and their effects on VIM‐2 metallo‐β‐lactamase were subsequently tested in vitro. Significantly, two peptides (MCW, YCW) exhibited potent inhibitory activities with IC50 values of 18.15 µM and 52.9 µM, respectively. To our knowledge, this is the first study that employed the hybrid virtual screening of combinational peptide database and discovered potent peptide inhibitors of VIM‐2 metallo‐β‐lactamase.
Cross‐Mapping of Protein – Ligand Binding Data Between ChEMBL and PDBbind
Authors: Liu Zhihai , Li Jie , Liu Jie , Liu Yuchen , Nie Wei , Han Li , Li Yan , Wang Renxiao
Published: June 2015

The ChEMBL database is a valuable open data source, which provides a comprehensive collection of binding data, functional and ADMET properties of bioactive compounds. The PDBbind database has a more focused scope, i.e. collecting binding data for the protein‐ligand complexes in the Protein Data Bank. Currently, the PDBbind collection of binding data is rather modest as compared to the ChEMBL collection (∼13 000 versus ∼1.3 million). One may suspect if the former is actually a subset of the latter. In this study, we mapped the molecular information and protein‐ligand binding data in PDBbind to the records in ChEMBL, and then analyzed the overlap between the binding data recorded in these two databases. Our results indicate that only ∼20 % of the binding data in PDBbind can find their counterparts in ChEMBL. Thus, the PDBbind collection of binding data is largely complementary to the ChEMBL collection. We also reveal two reasons accounting for the low overlap between two databases: First, only a minor fraction of the protein‐ligand complexes in PDBbind is covered by ChEMBL; Second, the literature spaces screened by these two databases do not have a substantial overlap either. The value of focused databases versus more comprehensive ones is demonstrated by our study.
Consumption of polyunsaturated fat improves the saturated fatty acid‐mediated impairment of HDL antioxidant potential
Authors: Cedó Lídia , Metso Jari , Santos David , Sánchez‐Quesada Jose Luís , Julve Josep , García‐León Annabel , Mora‐Brugués Josefina , Jauhiainen Matti , Blanco‐Vaca Francisco , Escolà‐Gil Joan Carles
Published: June 2015

Scope

The present study aimed to compare the effects of diets containing high‐fat, high‐cholesterol and saturated fatty acids (HFHC‐SFA) and HFHC‐polyunsaturated fatty acids‐containing (HFHC‐PUFA) diets on two major antiatherogenic functions of HDL, the HDL antioxidant function and the macrophage‐to‐feces reverse cholesterol transport.

Methods and results

Experiments were carried out in mice fed a low‐fat, low‐cholesterol (LFLC) diet, an HFHC‐SFA diet or an HFHC‐PUFA diet in which SFAs were partly replaced with an alternative high‐linoleic and α‐linolenic fat source. The HFHC‐SFA caused a significant increase in serum HDL cholesterol and phospholipids as well as elevated levels of oxidized HDL and oxidized LDL. Replacing SFA with PUFA significantly reduced the levels of these oxidized lipoproteins and enhanced the ability of HDL to protect LDL from oxidation. The SFA‐mediated impairment of HDL antioxidant potential was not associated with the cholesterol content of the diet, obesity or insulin resistance. In contrast, the effect of the HFHC diets on fecal macrophage‐derived cholesterol excretion was independent of the fatty acid source.

Conclusion

SFA intake impairs the antioxidant potential of HDL and increases serum levels of oxidized lipoprotein species whereas the antioxidant potential of HDL is enhanced after PUFA consumption.
Nerve ultrasound in miller fisher variant of Guillain–Barré syndrome
Authors: Décard Bernhard F. , Fladt Joachim , Axer Hubertus , Fischer Dirk , Grimm Alexander
Published: June 2015

Introduction: Focal enlargement of the peripheral and spinal nerves, visualized using high‐resolution ultrasound (HRUS), has been reported in early Guillain–Barré syndrome, but not in the Miller Fisher variant. We report the use of HRUS in 2 patients who presented with acute ataxic neuropathy, areflexia, and ophthalmoparesis. Methods: Ultrasound and/or nerve conduction studies (NCS) of peripheral nerves, the vagus, and spinal nerves C5/6 were performed at onset and 2 weeks after immunoglobulin therapy. Results: Both patients fulfilled criteria for diagnosis of Miller Fisher syndrome (MFS). Laboratory findings revealed elevated ganglioside Q1b antibodies in both and an albuminolocytologic dissociation in 1 patient. In addition, 1 patient had NCS evidence for demyelinating neuropathy. However, ultrasound showed focal enlargement in the vagus, the spinal nerves, and/or in the peripheral nerves in both patients. After therapy, nerve enlargement decreased in parallel with clinical improvement. Conclusion: Spinal and/or peripheral nerve enlargement supports the diagnosis of MFS in early phases of the disease. Muscle Nerve 52: 1106–1110, 2015
Robust hyperpolarized 13C metabolic imaging with selective non‐excitation of pyruvate (SNEP)
Authors: Chen Way Cherng , Teo Xing Qi , Lee Man Ying , Radda George K. , Lee Philip
Published: June 2015

In vivo metabolic imaging using hyperpolarized [1‐13C]pyruvate provides localized biochemical information and is particularly useful in detecting early disease changes, as well as monitoring disease progression and treatment response. However, a major limitation of hyperpolarized magnetization is its unrecoverable decay, due not only to T1 relaxation but also to radio‐frequency (RF) excitation. RF excitation schemes used in metabolic imaging must therefore be able to utilize available hyperpolarized magnetization efficiently and robustly for the optimal detection of substrate and metabolite activities. In this work, a novel RF excitation scheme called selective non‐excitation of pyruvate (SNEP) is presented. This excitation scheme involves the use of a spectral selective RF pulse to specifically exclude the excitation of [1‐13C]pyruvate, while uniformly exciting the key metabolites of interest (namely [1‐13C]lactate and [1‐13C]alanine) and [1‐13C]pyruvate‐hydrate. By eliminating the loss of hyperpolarized [1‐13C]pyruvate magnetization due to RF excitation, the signal from downstream metabolite pools is increased together with enhanced dynamic range. Simulation results, together with phantom measurements and in vivo experiments, demonstrated the improvement in signal‐to‐noise ratio (SNR) and the extension of the lifetime of the [1‐13C]lactate and [1‐13C]alanine pools when compared with conventional non‐spectral selective (NS) excitation. SNEP has also been shown to perform comparably well with multi‐band (MB) excitation, yet SNEP possesses distinct advantages, including ease of implementation, less stringent demands on gradient performance, increased robustness to frequency drifts and B0 inhomogeneity as well as easier quantification involving the use of [1‐13C]pyruvate‐hydrate as a proxy for the actual [1‐13C] pyruvate signal. SNEP is therefore a promising alternative for robust hyperpolarized [1‐13C]pyruvate metabolic imaging with high fidelity. Copyright © 2015 John Wiley & Sons, Ltd.
Electrochemical aspects of Pt–Cu and Cu modified boron‐doped diamond
Authors: Mavrokefalos Christos K. , Nelson Geoffrey W. , Poll Christopher G. , Compton Richard G. , Foord John S.
Published: June 2015

The synthesis of boron‐doped diamond (BDD) electrodes, decorated with Pt–Cu or pure Cu nanoparticles is described in this study. A two‐step electrochemical method involving the electrodeposition of Cu, followed by Pt was used to synthesise the former. The electrochemical activity of the Pt–Cu/BDD electrode was evaluated towards the methanol oxidation and was compared with the catalytic activity of the Pt/BDD electrode itself. Higher current densities and less fouling at Pt–Cu/BDD catalysts during methanol oxidation is seen compared to the Pt alone. Also, a simple and cost effective method to modify BDD electrode using Cu nanoparticles was explored. High sensitivity and current response to glucose oxidation in KOH is observed as well as good reproducibility and stability. Selectivity of the Cu/BDD towards glucose in KOH is observed in the presence of low concentrations of interfering species.
Propagation of surface waves and surface resonances along cylindrical cavities in materials with any allowed Poisson's ratio – Part I: Clean inner surface
Authors: Sobieszczyk Paweł , Gałązka Mirosław , Trzupek Dominik , Zieliński Piotr
Published: June 2015

The dynamics of the inner surface of an infinitely long circular‐cylindrical cavity in an isotropic elastic medium is studied in the whole range of the Poisson's ratio including negative values characteristic of auxetic materials. The existence of the unique long‐lived propagation mode (true surface wave, TSW) has been confirmed on the clean surface with the following properties: (i) existence of a low frequency cut‐off for all the azimuthal indices n except for n = 1 (flexural mode), (ii) polarization tending to that of the Rayleigh wave in the short wavelength limit, (iii) Airy phases (inflection points of dispersion curves) for n < 6 that shift towards short wave region when the Poisson's ratio becomes negative. A number of propagation modes with complex frequencies, i.e., with finite life times (surface leaky waves, pseudo surface waves) are found. The torsional leaky mode transforms into the skimming shear‐horizontal wave (Love wave) in the short wavelength limit. An axial–radial leaky mode, similar to the Rayleigh wave but with reverse elliptical polarization turns out a physical solution except for extremely short wavelengths. A strong radial component of the longitudinal resonance occurs at wavelengths comparable to the cavity's radius especially in the incompressible limit.
Lagrangian vortices in developing tropical cyclones
Authors: Rutherford B. , Dunkerton T. J. , Montgomery M. T.
Published: June 2015

Tracking pre‐genesis tropical cyclones is important for earlier detection of developing systems as well as targeting potential locations for dropsondes in field experiments. The use of a reference frame moving with the disturbance gives a more accurate depiction of streamlines and closed circulation than the Earth‐relative frame. However, identification of recirculating regions does not require a choice of reference frame when marked by the Galilean invariant Eulerian Okubo–Weiss (OW) parameter. While the Eulerian OW parameter is generally effective at identifying vortex cores at a given place and a given time, it has its limitations in weak disturbances and in time‐dependent flows. Integrating the eigenvalue of the velocity gradient tensor along particle trajectories provides a time‐smoothing of the Eulerian OW parameter, and provides earlier detection with fewer false alarms. We refer to this integration along trajectories as the Lagrangian OW parameter. When mapped to a horizontal grid it becomes a Lagrangian OW field.

The Lagrangian OW field has advantages over the Eulerian OW field in the detail of additional flow structures that it identifies. The Lagrangian OW field shows the Lagrangian boundaries that are present as a disturbance develops from an easterly wave, and a shear sheath that forms when a disturbance becomes self‐sustaining, typically at tropical storm strength. Since all of these structures are Lagrangian, they are advected with the flow field, and display the continuous evolution of coherent flow features as the fluid evolves.

Examples of the use of the Lagrangian OW field are given for ECMWF forecast data from the 2014 Atlantic hurricane season. All of the Lagrangian coherent structures that can be identified by this field are shown for developing disturbances and mature cyclones. The Lagrangian OW field also shows additional details of vortex mergers, and is used to identify a stable crystal lattice configuration in which vorticity does not aggregate.
Quantifying workspace and forces of surgical dissection during robot‐assisted neurosurgery
Authors: Maddahi Yaser , Gan Liu Shi , Zareinia Kourosh , Lama Sanju , Sepehri Nariman , Sutherland Garnette R.
Published: June 2015

Background

A prerequisite for successful robot‐assisted neurosurgery is to use a hand‐controller matched with characteristics of real robotic microsurgery. This study reports quantified data pertaining to the required workspace and exerted forces of surgical tools during robot‐assisted microsurgery.

Methods

A surgeon conducted four operations in which the neuroArm surgical system, an image‐guided computer‐assisted manipulator specifically designed to perform robot‐assisted neurosurgery, was employed to surgically remove brain tumors. The position, orientation, and exerted force of surgical tools were measured during operations.

Results

Workspace of the neuroArm manipulators, for the cases studied, was 60×60×60 mm3 while it offered orientation ranges of 103°, 62° and 112°. The surgical tools exerted a maximum force of 1.86 N with frequency band of less than 20 Hz.

Conclusions

This data provides important information specific to neurosurgery that can be used to select among commercially available, or further design a customized, haptic hand‐controller for robot‐assisted neurosurgical systems. Copyright © 2015 John Wiley & Sons, Ltd.
An empirical investigation into path divergences for concolic execution using CREST
Authors: Chen Ting , Lin Xiaodong , Huang Jin , Bacchus Abel , Zhang Xiaosong
Published: June 2015

Recently, concolic execution has become a hotspot in the domain of software testing and program analysis. However, a practical challenge, called path divergence, impairs the soundness and completeness of concolic execution. A path divergence indicates the tested program runs an unpredicted path. In this work, we carry out a comprehensive empirical study on path divergences using an open‐source concolic execution tool, named CREST. To make the investigation representative, we select 120 test units randomly from 21 different open‐source programs. The results are interesting, and will provide insight to solve the challenging path‐divergence problem. First, about one‐half of test units suffer from path divergences, indicating path divergences are so prevalent that the issue is worthy of great attention. Second, quite a number of generated test inputs drive test units to take divergent paths. This means testers need considerable effort to eliminate the misleading test inputs before aggregating them to a test suite. Third, we dig out ten divergent patterns through manual analysis of each path divergence. Among them, the three most prevalent ones, which are exceptions, external calls, and type casts, lead to almost 82% of path divergences. Finally, we discuss several countermeasures to overcome path divergences. Copyright © 2015 John Wiley & Sons, Ltd.
Lattice‐based multi‐use unidirectional proxy re‐encryption
Authors: Jiang M. M. , Hu Y. P. , Wang B. C. , Wang F. H. , Lai Q. Q.
Published: June 2015

Proxy re‐encryption (PRE) is a cryptographic primitive that allows a proxy to turn an Alice's ciphertext into a Bob's ciphertext on the same plaintext. At present, there are many different PRE schemes that have been proposed with different properties. However, all of them are based on the logarithm assumption and the large integer factorization assumption except for a bidirectional PRE scheme over lattices. In this paper, we construct the first multi‐use unidirectional PRE scheme based on lattices. In addition, the generation of the PRE key does not interact with two users, and the scheme can resist collusion attacks. Moreover, it is proved chosen plaintext attack secure in the standard model based on the Learning With Errors assumption. Finally, an identity‐based PRE is obtained from the basic construction. Copyright © 2015 John Wiley & Sons, Ltd.