bluuebunny/crossref_metadata_2025_split huggingface dataset:
The phytotoxin fusicoccin, a selective stabilizer of 14‐3‐3 interactions?
Authors: Camoni Lorenzo , Visconti Sabina , Aducci Patrizia 
Published: April 2013

AbstractSummary The study of the structure and dynamics of protein–protein interaction networks has become overwhelming in all biological systems. Most of the biological events are the consequence of several protein–protein interactions finely regulated by covalent modifications and physiological effectors. Moreover, several studies have shown that the complex interactome responsible for the progress and control of vital processes is disturbed in diseases. Besides the basic information on the mechanisms involved in the processes driven by protein–protein interactions, it appears nowadays extremely challenging to study possible regulators of the lifespan of protein networks. Small molecules able to stabilize or to inhibit protein complexes could easily find applications as potential innovative drugs. In this article, we hypothesize that a natural product, the fungal phytotoxin fusicoccin, can play a role as a stabilizer of interactions between 14‐3‐3 proteins and specific natural targets. A very specific stabilizer molecule is the ideal starting point for the development of a family of structurally related drugs able to selectively tune 14‐3‐3 interaction with their targets. © 2013 IUBMB Life, 65(6):513–517, 2013
Minor components in oils and their effects on frying performance
Authors: Aladedunye Felix A. , Przybylski Roman 
Published: April 2013

AbstractMinor components are the non‐triacylglycerol constituents of oil and constitute up to 5% of the total lipid composition. Though minor in composition, they can exert major influence on the performance of oil during frying. The effect of the minor components on frying performance depends on their chemical nature, composition and amount in the oil. Among these minor components tocopherols, phytosterols, phospholipids, γ‐oryzanol, lignans, phenolics, and carotenoids are the most important. Here, their effect on the frying performance of edible oils is discussed.
Thermal modification of vegetable oils
Authors: Doll Kenneth M. , Hwang Hong‐Sik 
Published: April 2013

AbstractThis article reviews old and recent literature concerning the hypothesis that the Diels‐Alder reaction is the dominant reaction in the thermal polymerization of vegetable oil. Both triacylglycerol oils and methyl esters are used to show that this mechanism is unlikely to be a significant contributor en route to the reaction products. The products formed under a range of different reaction conditions are reviewed, including dimer acid, where Diels‐Alder chemistry is not claimed, to the polymerization of mono‐unsaturated methyl oleate in the presence of oxygen. In these, and even in the system where Diels‐Alder chemistry is claimed, the polymerization of conjugated methyl linoleate, six‐membered ring structures are not found in levels detectable by 13C NMR. Since such structures are formed by a Diels‐Alder reaction, it is unlikely that any more than 5% of the reaction could be formed by that method. Other factors against the Diels‐Alder contribution to this process, such as conformation and electron withdrawing ability of the substrates are also discussed.
Pore‐Size Distribution Controls Shape‐Memory Properties on the Macro‐ and Microscale of Polymeric Foams
Authors: Sauter Tilman , Kratz Karl , Lendlein Andreas 
Published: April 2013

AbstractOpen porous foams with identical foam density but different pore‐size distributions (bimodal or monomodal) are prepared from a shape‐memory polyetherurethane (PEU) by thermally induced phase separation. The shape‐memory effect of the two PEU foams is explored by cyclic thermomechanical compression tests and microstructural analysis. The obtained results reveal that the PEU foam with a bimodal pore‐size distribution exhibits an increased shape‐recovery under stress‐free conditions, both on the macro‐ (foam level) as well as the microscale (pore level). While bimodal pore‐size distributions induce microscale bending during compression, buckling occurs in foams with monomodal pore‐size distributions, leading to both a reduced and delayed shape recovery.magnified image
Molecular Modeling and Active Site Binding Mode Characterization of Aspartate β‐Semialdehyde Dehydrogenase Family
Authors: Kumar Rajender , Garg Prabha 
Published: April 2013

AbstractThe enzyme aspartate β‐semialdehyde dehydrogenase (ASADH) plays a vital role in biosynthesis of essential amino acids and several important metabolites in microbes and some higher plants. So this key enzyme can be targeted selectively in these microbes to exhibit anti‐bacterial and fungicidal effects. In this work, molecular modeling and comparative active site binding mode studies were performed for understanding the mode of action, in silico insight into the 3D structure, enzyme‐substrate interactions with natural substrate in this homologous enzyme family. During comparative sequence analysis, high diversity was found in the sequences of different ASADHs and exhibited the same key binding interactions with the substrate. Both, the functional carboxylic and the phosphate group of the substrate are engaged in a bidentate interaction with the guanidinium N atom of two key arginyl active site residues of ASADHs. These structural and active site binding mode characterization studies can further be used for designing the more potent and selective substrate analogues inhibitors against ASADH family.
Decreased Expression of CD9 in Bovine Oocytes After Cryopreservation and the Relationship to Fertilization Capacity
Authors: Zhou Guang‐Bin , Zeng Yan , Meng Qing‐Gang , Liu Ying , Dai Yun‐Ping , Zhu Shi‐En , Bunch Thomas D. , Hou Yun‐Peng 
Published: April 2013

SUMMARYThis study was conducted to investigate the effect of vitrification of bovine metaphase‐II (MII) oocytes on CD9 expression and fertilization capacity. Surviving vitrified/warmed oocytes were used to detect CD9 distribution (fluorescence microscopy), CD9 mRNA (qRT‐PCR), and CD9 protein expression (Western blot), and to analyze in vitro fertilization rates (number of sperm bound to or that penetrated the oocytes) after removing the zona pellucida. Fresh oocytes acted as control. The experimental results showed that the vitrification/warming procedures significantly decreased CD9 expression at the mRNA and protein levels, and changed the CD9 distribution pattern in bovine oocytes. After fertilization in vitro, the average number of sperm binding and penetration of vitrified oocytes were significantly lower than those of the non‐vitrified oocytes. In conclusion, vitrification of bovine oocytes caused a decrease in CD9 expression at the mRNA and protein levels, and an alteration of CD9 distribution pattern, which may have resulted in lowered fertilization capacity. Mol. Reprod. Dev. 80: 451–459, 2013. © 2013 Wiley Periodicals, Inc.
A beta‐complex statistical four body contact potential combined with a hydrogen bond statistical potential recognizes the correct native structure from protein decoy sets
Authors: Sánchez‐González Gilberto , Kim Jae‐Kwan , Kim Deok‐Soo , Garduño‐Juárez Ramón 
Published: April 2013

ABSTRACTWe present a new four‐body knowledge‐based potential for recognizing the native state of proteins from their misfolded states. This potential was extracted from a large set of protein structures determined by X‐ray crystallography using BetaMol, a software based on the recent theory of the beta‐complex (β‐complex) and quasi‐triangulation of the Voronoi diagram of spheres. This geometric construct reflects the size difference among atoms in their full Euclidean metric; property not accounted for in a typical 3D Delaunay triangulation. The ability of this potential to identify the native conformation over a large set of decoys was evaluated. Experiments show that this potential outperforms a potential constructed with a classical Delaunay triangulation in decoy discrimination tests. The addition of a statistical hydrogen bond potential to our four‐body potential allows a significant improvement in the decoy discrimination, in such a way that we are able to predict successfully the native structure in 90% of cases. Proteins 2013; 81:1420–1433. © 2013 Wiley Periodicals, Inc.
Sol‐Gel Synthesis and Photocatalytic Study of Visible Light Active N‐Doped KSbWO6
Authors: Reddy J. R. , Ravi G. , Veldurthi Naveen Kumar , Velchuri Radha , Pola Someshwar , Vithal Muga , Sreedhar B. 
Published: April 2013

AbstractKSbWO6 was prepared by sol‐gel method. N‐doped KSbWO6 (KSbWO6–xNx) was obtained by heating KSbWO6 and urea at 400 °C. Both the compounds are characterized by powder X‐ray diffraction (XRD), TEM, SEM‐EDS, X‐ray photo electronic spectroscopy (XPS), and UV/Vis diffuse reflectance spectroscopy (UV‐DRS). A shift in the peak positions of powder XRD and XPS spectra was observed. The band gap energy (Eg) of KSbWO6 and N‐doped KSbWO6 was obtained from their diffused reflectance spectra.Eg was reduced from 3.17 eV to 2.56 eV upon nitrogen doping in KSbWO6. The reduction of the Eg is attributed to the lifting of valence band of N‐doped KSbWO6, due to the mixing of O 2p states with N 2p states. The photocatalytic activity of both the samples was studied by degradation of methylene blue (MB). The nitrogen doped KSbWO6 shows higher photocatalytic activity compared to that of KSbWO6.
Carboranylamidinates
Authors: Edelmann Frank T. 
Published: April 2013

AbstractThis Research Report provides an overview on synthesis, structure, and reactivity of the recently discovered carboranylamidinate ligands. Carboranylamidinate anions of the type [(o‐C2B10H10C(NHR)(=NR)]– (R = iPr, cyclohexyl) are readily accessible via addition of o‐lithiocarborane to N,N′‐carbodiimides R–N=C=N–R. They combine the highly versatile characteristics of both amidinates and carboranes in one unique ligand system. Unlike simple amidinate anions, the carboranylamidinates coordinate to metal ions not as typical N,N′‐chelating ligands but adopt an unexpected κ2C, N‐bonding mode. The free imine functionality in carboranylamidinates can be further deprotonated. The resulting dianions were demonstrated to be excellent starting materials for novel boron‐rich heterocycles incorporating e.g. Si, Sn, P, or transition metals such as Ti, Zr, Rh, and Ir. Further modification of the carboranylamidinate cage structure includes the introduction of additional functional groups like –SH or –SeH as well as the selective removal of a boron atom with formation of novel nido‐type dicarbollylamidinate ligands. An initial study already showed that transition metal carboranylamidinates are potentially useful as polymerization catalysts.
Rearrangement of Mo‐Cu‐S Cluster Reflects the Structural ­Instability of Orange Protein Cofactor
Authors: Maiti Biplab K. , Avilés Teresa , Carepo Marta S. P. , Moura Isabel , Pauleta Sofia R. , Moura José J. G. 
Published: April 2013

AbstractAn unprecedented Mo/Cu/S cluster, [Et4N]4[Mo3Cu6S14] (1) was obtained from the smaller cluster, [Ph4P]2[MoS4CuCl], in the presence of aqueous solution of tetraethylammonium hydroxide in DMF/i‐propanol by self‐rearrangement. The crystal structure shows that butterfly‐shaped {MoS4Cu2S2} fragments are connected via μ3‐S atoms to form a cage‐like structure, [Mo3Cu6S14]4–. The rearrangement of the Mo/Cu/S cluster may reflect the structural instability of Orange protein (ORP) cofactor.
Synthesis of a Chiral, Polydentate Ligand System Setting Out from L‐Cysteine and First Nickel Complexes Thereof
Authors: Warner Dana Sabrina , Limberg Christian , Mebs Stefan 
Published: April 2013

AbstractSetting out from protected L‐cysteine a 2, 5‐diketopiperazine V can be synthesized, the reduction of which with NaBH4/TiCl4 leads to (6R,8aR)‐7‐methyl‐6‐(sulfanylmethyl)‐thiazolidine [3,4‐a] piperazine, L1H as well as N,N′‐dimethyl‐(2R,5R)‐bis(sulfanylmethyl) piperazine, L2H2, which were separated and characterized. L2H2 can be obtained selectively, if V is reduced by NaBH4/TiCl4 in the presence of DIEA·HCl, and it represents a precursor for a novel, chiral ligand, as after deprotonation it provides two thiolato and two amino donor functions for the coordination of a metal atom. Deprotonation of L1H and L2H2 with NaOMe followed by treatment with NiBr2(dme) led to the isolation of the dimeric complexes [L1NiBr]2 (1) and [L2Ni]2 (2), respectively. Both were fully characterized, and cyclic voltammetry indicated the possibility of NiII → NiIII oxidations for complex 2. 2 can be regarded as a structural model for the A clusters of the acetyl coenzyme A synthase.
Copper(I) Coordination by Two Plant Metallothioneins
Authors: Wan Xiaoqiong , Schicht Oliver , Freisinger Eva 
Published: April 2013

AbstractThe plant metallothioneins (MTs) show high sequence diversity. Proposed to function mainly in metal ion homeostasis and detoxification these small cysteine‐rich proteins exhibit pronounced affinities to metal ions with the electron configuration d10. Having previously studied the coordination abilities of two MTs from Cicerarietinum (chickpea) for divalent metal ions we now aim to expand the knowledge to the binding characteristics for CuI. Performing titration studies followed by UV and circular dichroism spectroscopy distinct differences between the two proteins are revealed.
Evolution of Percutaneous Dilatational Tracheostomy—A Review of Current Techniques and Their Pitfalls
Authors: Cools‐Lartigue Jonathan , Aboalsaud Ali , Gill Heather , Ferri Lorenzo 
Published: April 2013

AbstractTracheostomy is the most commonly performed surgical procedure in critically ill patients with acute respiratory failure. While few absolute indications exist, this procedure is widely used in patients with upper respiratory obstruction and those requiring long‐term mechanical ventilation. The traditional approach to tracheostomy has been an open procedure performed in the operating room. This method is associated with an increased rate of complications and costs. Accordingly, percutaneous bedside tracheostomy procedures have largely replaced the traditional operative approach at many institutions. Numerous methods for percutaneous tracheostomy have thus emerged. However, the benefits of one technique versus another have not been well demonstrated. In this article, we review the evidence supporting the use of percutaneous tracheostomy procedures over the traditional operative approach. Furthermore, we review the currently available and emerging methods by which percutaneous tracheostomy can be performed. In addition, we highlight the available evidence concerning the safety and complication rates of each technique.
Contemporary Management of Adult Intussusception: Who Needs a Resection?
Authors: Varban Oliver A. , Ardestani Ali , Azagury Dan E. , Kis Bela , Brooks David C. , Tavakkoli Ali 
Published: April 2013

AbstractBackgroundSurgical resection is often recommended in adults with intestinal intussusception (AI) because of its potential association with malignancy. We provide a contemporary algorithm for managing AI by focusing on the probability of discovering a lead point.MethodsThis is a retrospective study of adult patients with computed tomography (CT)‐confirmed intussusception who underwent operative management of AI between 1996 and 2011 at a single academic institution.ResultsSixty‐four patients were diagnosed with AI by CT scan and then managed operatively. The incidence of colonic (CI), small bowel (SBI), and retrograde intussusception (RI) was 14, 55, and 31 %, respectively. All patients with CI had a lead point, whereas none were found among patients with RI. Some 46 % of patients with SBI had a lead point. The probability of discovering a lead point in SBI was increased by past history of malignancy (RR, 3.7, p < 0.001), a mass seen on preoperative CT scan (RR, 2.9, p = 0.005), and age over 60 years (RR, 2.2, p = 0.07).ConclusionsA pathologic lead point is likely with CI but not with RI. Patients with SBI who are over the age of 60 years and have a history of malignancy or a mass noted on CT scan have a higher likelihood of harboring a pathologic lead point.
Integrated Interpretation of Satellite Imagery, Aeromagnetic, Aero-radiometric and Ground Exploration Data-sets to Delineate Favorable Target Zones for Unconformity Related Uranium Mineralization, Khariar Basin, Central India
Authors: Patra I. , Chaturvedi A. K. , Srivastava P. K. , Ramayya M. S. 
Published: April 2013

Abstract:
The Mesoproterozoic Khariar basin, to the SE of Chhattisgarh basin, comprises 1000 m thick arenaceous-argillaceous sediments. For the first time, a multidisciplinary approach has been made to the integrate interpreted satellite imagery, aero-magnetic and aero-radiometric data with available ground exploration data sets with an objective to understand structural fabric and to establish various parameters for unconformity related uranium mineralization in the environs of Khariar basin. Total Magnetic Intensity (TMI) anomaly image has been useful to mark major faults (ENE-WSW), magnetic bodies and overall basement characteristics. Combination of first vertical derivative (1VD) and tilt derivative magnetic images brought out presence of NW-SE magnetic linear (dominant) with minor ENE-WSW and NNE-SSW trends. Basic dykes and quartz veins are the surface manifestations of NW-SE trend in basement. Radially averaged power spectrum indicates the approximate basement configuration. Enhanced Thematic Mapper satellite imagery (Landsat ETM+) interpretation has shown lineaments along NW-SE, NNE-SSW, ENE-WSW and ENW-WSE directions. These observations are corroborated by interpreted results of magnetic data. Analysis of both results indicate NW-SE and ENE-WSW trends as post depositional. Aero-radiometric images (U, Th, K and ternary U-Th-K) show overall radio-elemental distribution for various litho-units. Besides, Th and K images along with interpreted ETM+ satellite imagery (RGB : 432/752/751) are useful to map small outliers and to modify basement-sediment contact. Geochemical data from basement rocks around Khariar basin suggests the younger Bundeli granitoids and its equivalents are good source of uranium in the western margin. Presence of labile uranium is inferred from higher concentration of uranium in water samples. The Airborne gamma-ray spectrometry (AGRS) and hydro-geochemical anomalies fall along fault zones and intersection of fault zones. The western and southern margin of Khariar basin are also characterized by presence of paleosol at unconformity, which are favorable factors for unconformity type uranium mineralization. Based on the present study, part of western and southern margin emerge as potential target areas for further exploration of uranium.
Petrogenesis of Ultramafic-Mafic to Felsic Plutonic Rock Associations from Southern Portion of Chhotanagpur Gneissic Complex in Central India: A Multi-stage Crust-mantle Interaction Process
Authors: Chakraborty Kasturi , Roy Abhinaba 
Published: April 2013

Abstract:
A granite-granodiorite-gabbro-ultramafic rock association occurs in the southern sector of Chhotanagpur Gneissic Complex in Central India. Field relations show mingling and mixing of mafic and granodioritic magmas along the contacts of the intrusives. Petrographic studies, coupled with analyses of phase compositions and bulk rock major and trace element compositions favor origin of mafic magma from partial melting of sub-continental hybridized lithospheric mantle and subsequent two stage emplacement. Initial ponding of mafic magma at basal crust elevated the geothermal gradient so as to cause partial melting of lower crustal materials and generation of granodioritic melt. Simultaneous emplacement of granodioritic and mafic magmas tapped from basal crustal reservoir at mid-crustal depth resulted in restricted mingling-mixing along the contacts of the contrasting magma types locally producing rocks of dioritic composition. The mode of evolution of this cogenetic mafic-felsic association, when combined with available geochronological data, has important implications in demarcation of the extent of Grenvellian orogen that resulted in amalgamation of the Southern Crustal Province of India (SCP) with the Bundelkhand Craton or Northern Crustal Province (NCP).
Psychological problems, protective factors and health‐related quality of life in youth affected by violence: The burden of the multiply victimised
Authors: Schlack Robert , Ravens‐Sieberer Ulrike , Petermann Franz 
Published: April 2013

ABSTRACTThis study investigates self‐rated mental health in terms of psychological problems, protective factors and health‐related quality of life (HRQOL) in a nationally representative sample of adolescents (n = 6813) aged 11–17 involved in violence with varying frequency. Using MANCOVA and ANCOVA, youth with single and multiple histories of violent victimisation and violence perpetration were contrasted with non‐involved comparisons. The results show that even low levels of violence involvement were associated with more problems, fewer protective factors and impaired HRQOL. Multiply victimised youth – not perpetrating victims – stood out with internalising, peer and hyperactivity/inattention problems. Discriminant function analysis separated non‐involved from violence‐affected youth, and multiply victimised from not multiply victimised youth. Externalising behaviours, family issues, male sex and school functioning predicted group separation on the first function (proportion variance explained 80.0%), while internalising and peer issues were predictive for the second function (PVE 14.2%). Implications for prevention, intervention and research are discussed.
Optimal shapes for anguilliform swimmers at intermediate Reynolds numbers
Authors: van Rees Wim M. , Gazzola Mattia , Koumoutsakos Petros 
Published: April 2013

AbstractWe investigate the optimal morphologies for fast and efficient anguilliform swimmers at intermediate Reynolds numbers, by combining an evolution strategy with three-dimensional viscous vortex methods. We show that anguilliform swimmer shapes enable the trapping and subsequent acceleration of regions of fluid transported along the entire body by the midline travelling wave. A sensitivity analysis of the optimal morphological traits identifies that the width thickness in the anterior of the body and the height of the caudal fin are critical factors for both speed and efficiency. The fastest swimmer without a caudal fin, however, still retains 80 % of its speed, showing that the entire body is used to generate thrust. The optimal shapes share several features with naturally occurring morphologies, but their overall appearances differ. This demonstrates that engineered swimmers can outperform biomimetic swimmers for the criteria considered here.