bluuebunny/crossref_metadata_2025 huggingface dataset:
Waste Activated Sludge Disintegration in an Ultrasonic Batch Reactor
Authors: Akin Beril
Published: February 2008

The production of excess sludge is one of the most serious challenges in biological wastewater treatment. In the present work, disintegration is added as a new additional unit operation in a wastewater treatment plant, and the main objective is to reduce the amount of excess sludge. The use of high power ultrasound can effectively disintegrate the bacterial cells, and thereby, enhance the subsequent biodegradation during digestion. In the study, attempts are made to determine the disintegration capacity of waste activated sludge that has different total solids (TS) concentrations with low ultrasound frequency (20 kHz) and a fixed amplitude value (50%). The results show that in terms of soluble chemical oxygen demand (SCOD) release, sludge disintegration was primarily governed by ultrasonic density (W mL–1), whereas specific energy input appears to be more critical for protein release. A SCOD release of about 329 mg SCOD gTS–1 was obtained at a TS content of 2% and specific energy input of 5 kWs gTS–1. The SCOD release decreased to 248.5 and 124.2 mgSCOD gTS–1 at TS contents of 4 and 6%, respectively. The highest protein release of 80.7 mg gTS–1 was obtained at a TS content of 2% and a specific energy input of 10 kWs g–1. The sludge disintegration efficiency declined significantly at higher TS content.
Oxytocin and vasopressin receptor distributions in a solitary and a social species of tuco‐tuco (Ctenomys haigi and Ctenomys sociabilis)
Authors: Beery Annaliese K. , Lacey Eileen A. , Francis Darlene D.
Published: February 2008

The neuropeptides oxytocin and vasopressin and their receptors have been implicated in elements of mammalian social behavior such as attachment to mates and offspring, but their potential role in mediating other types of social relationships remains largely unknown. We performed receptor autoradiography to assess whether forebrain oxytocin receptor (OTR) or vasopressin V1a receptor (V1aR) distributions differed with social structure in two closely related and ecologically similar species of South American rodents, the colonial tuco‐tuco (Ctenomys sociabilis) and the Patagonian tuco‐tuco (Ctenomys haigi). Long‐term field studies have revealed that C. haigi is solitary, whereas C. sociabilis is social and provides a model of female‐based group living. Our analyses revealed marked differences in OTR and V1aR distributions between these species. For example, only C. sociabilis had OTR binding in the piriform cortex and thalamus and V1aR binding in the olfactory bulbs. In contrast, C. haigi exhibited dramatically higher levels of OTR binding throughout the lateral septum and hippocampus. More generally, the group‐living C. sociabilis exhibited a pattern of nucleus accumbens OTR and ventral pallidum V1aR binding different from that associated with the formation of opposite‐sex pair bonds in microtine rodents. Higher binding in the central nucleus of the amygdala of C. sociabilis was consistent with the hypothesis that formation of social groups in C. sociabilis may be facilitated by reduced social anxiety. Low OTR binding in the lateral septum might also be a permissive factor for group living in C. sociabilis. Future studies will expand on these analyses to explore interspecific differences in ctenomyid receptor binding patterns in a phylogenetic context. J. Comp. Neurol. 507:1847–1859, 2008. © 2008 Wiley‐Liss, Inc.
Early involvement of synapsin III in neural progenitor cell development in the adult hippocampus
Authors: Kao Hung‐Teh , Li Ping , Chao Helen M. , Janoschka Stephen , Pham Kara , Feng Jian , Mcewen Bruce S. , Greengard Paul , Pieribone Vincent A. , Porton Barbara
Published: February 2008

Synapsin III is a synaptic vesicle‐associated protein that is expressed in cells of the subgranular layer of the hippocampal dentate gyrus, a brain region known to sustain substantial levels of neurogenesis into adulthood. Here we tested the hypothesis that synapsin III plays a role in adult neurogenesis with synapsin III knockout and wild‐type mice. Immunocytochemistry of the adult hippocampal dentate gyrus revealed that synapsin III colocalizes with markers of neural progenitor cell development (nestin, PSA‐NCAM, NeuN, and Tuj1) but did not colocalize with markers of mitosis (Ki67 and PCNA). Because neurogenesis consists of a number of stages, the proliferation, survival, and differentiation of neural progenitor cells were systematically quantitated in the hippocampal dentate gyrus of adult synapsin III knockout and wild‐type mice. We found a 30% decrease in proliferation and a 55% increase in survival of neural progenitor cells in synapsin III knockout mice. We also observed a 6% increase in the number of neural progenitor cells that differentiated into neurons. No difference in the volume of the dentate gyrus was observed between synapsin III knockout and wild‐type mice. Collectively, our results demonstrate a novel role for synapsin III in regulating the proliferation of neural progenitor cells in the adult hippocampal dentate gyrus. These findings suggest a distinct function for this synaptic vesicle protein, in addition to its role in neurotransmission. J. Comp. Neurol. 507:1860–1870, 2008. © 2008 Wiley‐Liss, Inc.
Differential output of the high‐sensitivity rod photoreceptor: AII amacrine pathway
Authors: Petrides Artemis , Trexler E. Brady
Published: February 2008

A population of ON cone bipolar cells is not coupled to AII amacrine cells. Neurobiotin (red) diffusion away from an injected AII amacrine cell (top right) at the level of bipolar cell somas in the inner nuclear layer of the rabbit retina. The somas of all depolarizing bipolar cells were labeled with antisera to G0α (green), and rod bipolars are labeled with antisera to PKCα (blue). G0α‐outlined somas without PKCα or Neurobiotin are non‐coupled ON cone bipolar cells. J. Comp. Neurol. 507:1653‐1662, 2008. © 2008 Wiley‐Liss, Inc.
Oxidation of Citronellal to Citronellic Acid by Molecular Oxygen Using Supported Gold Catalysts
Authors: Martin A. , Armbruster U. , Decker D. , Gedig T. , Köckritz A.
Published: February 2008

The oxidation of citronellal to citronellic acid was studied using molecular oxygen as oxidant and gold‐containing supported catalysts under aqueous conditions. The reactions were carried out at 60–90 °C, with 200 Nml min−1 O2 and at pH values from 9 to 12. The alumina‐ or titania‐supported catalysts were synthesized according to the deposition–precipitation procedure using urea or NaOH. Mechanistic studies have revealed that radical‐initiated reactions lead to undesired by‐products especially at pH<9, that is, the CC bond is attacked and a diol is primarily formed probably via an epoxide intermediate. This side reaction can be suppressed to a large extent by increasing the pH to 12 and by raising the catalyst/oxygen ratio. Furthermore, detailed studies on the influence of reaction time, pH value, reactant concentration and amount of catalyst show that citronellic acid can be obtained in over 90 % yield with total conversion of citronellal at pH 12 and a temperature of 80 °C.
Detection of T‐regulatory cells has a potential role in the diagnosis of classical Hodgkin lymphoma
Authors: Bosler David S. , Douglas‐Nikitin Vonda K. , Harris Valerie N. , Smith Marc D.
Published: February 2008

Previous studies have demonstrated an increase in T‐regulatory cells in the involved lymph nodes and peripheral blood of patients with Hodgkin lymphoma. Our study examined whether the detection of T‐regulatory cells by flow cytometry could distinguish classical Hodgkin lymphoma (CHL) from benign cases and B‐cell non‐Hodgkin lymphomas (B‐NHL). We measured CD4, CD25, and CD152 in 14 CHLs, 2 nodular lymphocyte‐predominant Hodgkin lymphomas, 31 B‐NHLs, and 54 benign cases. All T‐regulatory cell parameters, including percent lymphocytes CD4+/CD152+ and CD4+/CD25+/CD152+, and mean and median CD152 expression in CD4+/CD25+ lymphocytes, were higher in CHL than in B‐NHL and benign. Mean CD152 in CD4+/CD25+ lymphocytes distinguished CHL from benign with 79% sensitivity and 100% specificity, and from B‐NHL with 71% sensitivity and 90% specificity. Overall, our results show that T‐regulatory cells are increased in CHL and their detection may be a useful tool in differentiating CHL from other entities. © 2008 Clinical Cytometry Society
Prednisone induces immunophenotypic modulation of CD10 and CD34 in nonapoptotic B‐cell precursor acute lymphoblastic leukemia cells
Authors: Gaipa Giuseppe , Basso Giuseppe , Aliprandi Sara , Migliavacca Maddalena , Vallinoto Cristina , Maglia Oscar , Faini Andrea , Veltroni Marinella , Husak Dzvenyslava , Schumich Angela , Ratei Richard , Biondi Andrea , Dworzak Michael N.
Published: February 2008

Background:

Immunophenotypic modulation is induced by steroids in pediatric B‐cell precursor acute lymphoblastic leukemia (BCP‐ALL) patients during remission induction therapy.

Methods:

We cultured BCP‐ALL blasts from diagnostic bone marrow (BM) samples (n = 20) in the presence of prednisone on stroma layer obtained from BM‐derived mesenchymal cells to maintain viability. Antigen expression was assessed by multiparametric flow cytometry.

Results:

Leukemia samples that sustained the treatment in vitro with prednisone, showed significative reduction of CD10 and CD34 expression compared with control, and it was comparable with that observed in residual leukemic cells of the same patients in BM at day 15 of treatment. Modulated cells were viable as determined by Annexin V staining and preserved light scattering properties. Of note, the extent of antigen modulation in vitro correlated with response to prednisone in vivo.

Conclusions:

The prednisone‐induced immunophenotypic modulation can be reproduced in vitro and this phenomenon may reflect sensitivity to chemotherapy. © 2008 Clinical Cytometry Society
Neuronal plasticity: implications in epilepsy progression and management
Authors: Hamed Sherifa A.
Published: February 2008

Epilepsy is a common neurological disease. A growing number of research studies provide evidence regarding the progressive neuronal damage induced by prolonged seizures or status epilepticus (SE), as well as recurrent brief seizures. Importantly, seizure is only one aspect of epilepsy. However, cognitive and behavioral deficits induced by progressive seizures or antiepileptic treatment can be detrimental to individual function. The neurobiology of epilepsy is poorly understood involving complex cellular and molecular mechanisms. The brain undergoes changes in its basic structure and function, e.g., neural plasticity with an increased susceptibility in neuronal synchronization and network circuit alterations. Some of these changes are transient, while others are permanent with an involvement of both glutamatergic and γ‐aminobutyric acid (GABA)ergic systems. Recent data suggest that impaired neuronal plasticity may underlie the cognitive impairment and behavioral changes associated with epilepsy. Many neurologists recognize that the prevention or suppression of seizures by the use of antiepileptic drugs (AEDs) alone is insufficient without clear predictions of disease outcome. Hence, it is important to understand the molecular mechanisms underlying epileptogenesis because this may allow the development of innovative strategies to prevent or cure this condition. In addition, this realization would have significant impact in reducing the long‐term adverse consequences of the disease, including neurocognitive and behavioral adverse effects. Drug Dev Res 68:498–511, 2007. © 2008 Wiley‐Liss, Inc.
Medicinal chemistry of the vanilloid (Capsaicin) TRPV1 receptor: current knowledge and future perspectives
Authors: Gharat Laxmikant , Szallasi Arpad
Published: February 2008

In peripheral sensory neurons, the vanilloid receptor TRPV1 (transient receptor potential vanilloid subfamily, member 1) functions as a molecular integrator of painful stimuli, including those mediated by capsaicin, acid, and heat. Antagonist blockade of TRPV1 activation is under investigation by several pharmaceutical companies in an effort to identify novel agents for pain management. TRPV1 is also expressed, albeit at lower levels, in the brain and in non‐neuronal tissues, where its function(s) remains elusive. The contribution of TRPV1 receptor activity to physiological reflexes and disease states is complex and is only beginning to be understood. Consequently, the resultant effects of TRPV1 antagonists on the body may be unforeseen. Indeed, clinical trials with a number of TRPV1 antagonists were recently terminated due to their marked hyperthermic activity. In this review article, the medicinal chemistry of TRPV1 antagonists is discussed inasmuch as it relates to the efficacy, safety, tolerability and potential side effects of these compounds. In addition, the available information on the current status of the clinical trials with TRPV1 antagonists is summarized. Drug Dev Res 68:477–497, 2007. © 2008 Wiley‐Liss, Inc.
Effect of a novel partial adenosine A1receptor agonist VCP102 in reducing ischemic damage in the mouse heart
Authors: Butcher Anna , Gregg Alison , Scammells Peter J. , Rose' Meyer Roselyn B.
Published: February 2008

Investigations into the use of A1adenosine receptor (A1AR) agonists in reducing post‐ischemic damage to the heart have been of significant interest to cardiovascular research. The present study examined the cardioprotective effects of the partial A1AR agonist,N6‐[4‐[1,1,3,3‐tetramethylisoindolin‐2‐yloxyl‐5amido]ethyl]phenyl]adenosine (VCP102) and the full A1AR agonist,N6‐cyclopentyl adenosine (CPA), in murine isolated hearts perfused in Langendorff mode. Following 30‐min ischemia, hearts were treated with the A1AR agonists during early reperfusion for 15 min (IR protocol). Significant increases in left ventricular developed pressure (LVDP) and contractility (dP/dtmax) were observed at the final reperfusion values for VCP102 (100 nM)‐treated hearts, as compared with the control tissues (P<0.05). EDP values in VCP102‐treated hearts were also lower than control tissues (P<0.05). The A1AR antagonist, 8‐cyclopentyl‐1,3‐dipropylxanthine (DPCPX, 10 nM) and the A3AR antagonist 3‐ethyl‐5‐benzyl‐2‐methyl‐4‐pheylethynyl‐6‐phenyl‐1,4‐(±)‐diphydropyridine‐3,5‐dicarboxylate (MRS1191, 200 nM) attenuated the protective actions of 15 min VCP102 during IR (P<0.05). An improvement in functional recovery was not observed with CPA (100 nM,P>0.05). Infarct size was also significantly reduced in VCP102‐ or CPA‐treated hearts as compared with control tissues (P<0.05). DPCPX and MRS1191 attenuated VCP102‐induced decreases in infarct size (P<0.05), but did not alter the responses to CPA (P>0.05). Significant reductions in cardiac troponin I release and expression of the pro‐apoptotic zymogen caspase‐3 were observed in both treatment groups (P<0.05). In summary, both A1ARs and A3ARs may play a role in mediating cardioprotection and improving functional recovery in the IR heart with VCP102. Furthermore, treatment with the partial agonist appeared to confer improved functional cardiac protection when compared with CPA. Drug Dev Res 68:529–537, 2007. © 2008 Wiley‐Liss, Inc.
Terminal voltage and power factor control of induction generators for wind power generation system
Authors: Senjyu Tomonobu , Sueyoshi Norihide , Kuninaka Ryo , Uezato Katsumi , Fujita Hideki , Funabashi Toshihisa
Published: February 2008

This paper deals with two types of control method for induction generators used in wind power generating stations. One is aimed at maintaining the voltage of the station node and the other is aimed at maintaining a constant power factor through the branch connecting to the station. Both can be in the controllable area by adjusting the generator reactive power with compensating capacitors. First, theoretical equations for the terminal voltage and power factor of an induction generator are derived, and then the compensating capacitance corresponding to the wind velocity variation is determined quantitatively. By using the proposed control method, it is shown to be possible to maintain the terminal voltage and operating power factor of a wind power generation system at the target values, even when abrupt deviations are caused by wind power disturbances. © 2008 Wiley Periodicals, Inc. Electr Eng Jpn, 163(3): 19– 26, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20298
Chaotic synchronization‐based communications using constant envelope pulse
Authors: Nakamura Kazuhiko , Miyajima Teruyuki , Yamanaka Kazuo
Published: February 2008

We propose use of a constant‐envelope pulse for the purpose of improving noise‐rejection property in chaotic synchronization‐based communication systems. In a conventional system where discrete‐time chaotic signals are transmitted through the pulse amplitude modulation, the correlator output variance increases as the spreading factor decreases, while the synchronization error increases as the spreading factor increases. Therefore, it is difficult to control the bit error rate only by adjusting the spreading factor. In the proposed system, use of pulse width modulation keeps the envelope of transmitted signals constant, which leads to the correlator output with zero variance. The synchronization error is kept small because the spreading factor can be set to be one without increasing the correlator output variance. We have a result of computer simulation showing that the proposed system achieves a bit error performance better than the conventional system. In addition, a new blind adaptive algorithm is proposed which suppresses intersymbol interference. © 2008 Wiley Periodicals, Inc. Electr Eng Jpn, 163(3): 47– 56, 2008; Published online in Wiley InterScience (www. interscience.wiley.com). DOI 10.1002/eej.20318
Insulation characteristics of CO2 gas for nonstandard lightning impulse oscillations: Evaluation method of nonstandard lightning impulse waveform for CO2 gas insulation
Authors: Kaneko Shuhei , Yokoi Tetsuhiko , Okabe Shigemitsu
Published: February 2008

SF6 gas is widely used in electric power apparatus such as gas‐insulated switchgears (GIS), because of its superior dielectric properties; however, it has been identified as a greenhouse gas at COP3 in 1997, and alternative insulation gases to SF6 have recently been investigated. One of the candidates is CO2 gas, which has lower global warming potential (GWP). However, CO2 gas has a lower withstand voltage level than SF6 gas; therefore, it is necessary to rationalize the equipment insulation level and reexamine the insulating test voltage for electric power apparatus as low as possible. From our previous investigation, in SF6 gas insulation system, we obtained that the insulation requirements of the real surges (called nonstandard lightning impulse waveform) are not as severe as those of the standard lightning impulse waveform. This paper describes the evaluation method for real surges, based on insulation characteristics of CO2 gas gaps. Furthermore, the method was applied to typical field overvoltage waveform in the lightning surge time region for 500‐kV systems and it is obtained that the equivalent peak value of the standard lightning impulse waveform is possibly reduced by 10 to 15%. © 2008 Wiley Periodicals, Inc. Electr Eng Jpn, 163(3): 1– 9, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20560
Real‐time deadlock‐free navigation for multiple mobile robots
Authors: Gakuhari Harunori , Takase Kunikatsu , Hada Yoshiro
Published: February 2008

This paper proposes a practicable navigation method for multiple mobile robots in a realistic environment. In the past, many navigation methods have been developed. However, they were often limited to a single robot and sometimes assumed robots with special mobility such as holonomic ones. From the viewpoint of practical applications it is indispensable that the number of robots is arbitrary and a general shape and mobility for them is allowed.

In this study, deadlock‐free navigation for nonholonomic mobile robots in a practical environment is given. In the proposed scheme, states of the environment and robots are fed back in real time, and global path planning is cyclically executed. This enables an adaptation to a changing environment and reliable, deadlock‐free navigation for multiple robots. The real‐time online path planning is performed by an efficientA*search in Configuration Spaces representing the robots and environment.

The proposed method is tested in several simulations which represent typical complicated navigation situations. As a result, the effectiveness of the method is verified. © 2008 Wiley Periodicals, Inc. Electr Eng Jpn, 163(3): 27– 36, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/eej.20714
Oxidized phospholipids induce anergy in human peripheral blood T cells
Authors: Seyerl Maria , Blüml Stefan , Kirchberger Stefanie , Bochkov Valery N. , Oskolkova Olga , Majdic Otto , Stöckl Johannes
Published: February 2008

Lipids are key regulators of immune responses. In this study we investigated the direct impact of oxidized phospholipids (ox‐PL) on T cell activation and function. We could demonstrate that ox‐PL strongly inhibit proliferation of purified human T cells induced with anti‐CD3/CD28 or anti‐CD3/CD63 mAb, whereas proliferation of naive T cells from human cord blood was not affected by ox‐PL. Unoxidized phospholipids showed no such effect. Inhibition of T cell proliferation by ox‐PL was not due to cell death. Moreover, T cell proliferation triggered by PMA/ionomycin activation was not diminished by ox‐PL. T cells activated in the presence of ox‐PL produced and released low amounts of IFN‐γ and IL‐2, whereas IL‐4 was only slightly diminished. Ox‐PL prevented the expression of de novo synthesized activation markers (CD25, MHC class II) but not expression of CD63 or CD69. We further observed that T cells stimulated in the presence of ox‐PL are poorly cytotoxic T cells. Most importantly, T cells activated in the presence of ox‐PL failed to proliferate in response to restimulation. This hypo‐proliferative state was accompanied with an up‐regulation of early growth response gene 3 and Casitas B‐lineage lymphoma protein B. Taken together, our results demonstrate that ox‐PL are potent and specific regulators of T cell activation and function.
CCL27‐transgenic mice show enhanced contact hypers ensitivity to Th2, but not Th1 stimuli
Authors: Kagami Shinji , Saeki Hidehisa , Tsunemi Yuichiro , Nakamura Koichiro , Kuwano Yoshihiro , Komine Mayumi , Nakayama Takashi , Yoshie Osamu , Tamaki Kunihiko
Published: February 2008

CCL27 is one of the CC chemokines produced by epidermal keratinocytes and is suggested to be involved in the pathogenesis of inflammatory skin diseases. To clarify the contribution of CCL27 in skin inflammation, we created transgenic C57BL/6 mice that constitutively produce CCL27 in epidermal keratinocytes. These mice had high serum CCL27 levels and did not show any phenotypical change. Thus we stimulated these mice with various reagents by single and repeated application. Interestingly, only contact hypersensitivity to repeated application with fluorescein isothiocyanate was significantly enhanced in transgenic mice compared to non‐transgenic mice. Under this condition, the numbers of inflammatory cells, CCR10‐positive cells, CCR4‐positive cells and cutaneous lymphocyte‐associated antigen‐positive cells were increased, and IL‐4 mRNA expression was higher in the lesional skin of transgenic mice. Increased number of mast cells and higher serum IgE levels, which were similar to atopic dermatitis, were also observed. These results indicated that CCL27 modified inflammation by attracting CCR10‐positive and CCR4‐positive cells into the lesional skin, and may participate in the pathogenesis of Th2‐shifted skin diseases such as atopic dermatitis.
IRAK‐4 kinase activity‐dependent and ‐independent regulation of lipopolysaccharide‐inducible genes
Authors: Koziczak‐Holbro Magdalena , Glück Anton , Tschopp Claude , Mathison John C. , Gram Hermann
Published: February 2008

IRAK‐4 kinase inactive (IRAK‐4 KD) knock‐in mice display defects in TLR‐ and IL‐1 receptor signaling and are resistant to LPS‐induced shock. In the present study we examined the LPS‐induced response in IRAK‐4 KD mice in more detail. We show that IRAK‐4 kinase activity is required for certain aspects of TLR‐mediated signaling but not for others. We found that IRAK‐4 KD cells displayed reduced JNK and p38 signaling, while NF‐κB was activated to a normal level but with delayed kinetics compared to wild‐type cells. TLR4‐mediated IRF3 activation was intact in these cells. Comprehensive analysis of expression of LPS‐inducible genes by microarray demonstrated that IRAK‐4 KD cells were severely impaired in the expression of many pro‐inflammatory genes, suggesting their dependence on IRAK‐4 kinase activity. In contrast, the expression of a subset of LPS‐induced genes of anti‐viral response was not affected by IRAK‐4 kinase deficiency. Additionally, we demonstrate that LPS‐activated early expression and production of some cytokines, e.g., TNF‐α, is partially induced in the absence of IRAK‐4 kinase activity. This suggests that the partially unaffected TLR4‐mediated signaling could still drive expression of these genes in early phases and that IRAK‐4 kinase activity is important for a more sustained anti‐bacterial response.

See accompanying commentary http://dx.doi.org/10.1002/eji.200838161
Hydrothermal Synthesis and Structural Characterization of the High‐Valent Ruthenium‐Containing Polyoxoanion [{PW11O39}2{(HO)RuIV–O–RuIV(OH)}]10–
Authors: Chen Su‐Wen , Villanneau Richard , Li Yanling , Chamoreau Lise‐Marie , Boubekeur Kamal , Thouvenot René , Gouzerh Pierre , Proust Anna
Published: February 2008

The high‐valent ruthenium‐containing [{PW11O39}2{(HO)RuIV–O–RuIV(OH)}]10– anion (1) has been synthesized by hydrothermal reaction and characterized by X‐ray diffraction, IR, multinuclear (31P and 183W) NMR spectroscopy andelectrochemistry. Single‐crystal analysis was carried outon Rb10[{PW11O39}2{(HO)RuIV–O–RuIV(OH)}]·21H2O, which crystallizes in the monoclinic system, space group P21/n, with a = 11.1912(14), b = 21.9257(12), c = 38.7310(96) Å, β = 94.682(19)°, V = 9472(3) Å3, Z = 4. Polyanion 1 consists of two lacunary [α‐PW11O39]7– anions connected by a linear {(HO)Ru–O–Ru(OH)}4+ unit. Each ruthenium ion achieves six‐coordination through interaction with two terminal oxo ligands from the lacuna of each [PW11O39]7– anion.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Oxazoline‐Substituted Prolinamide‐Based Organocatalysts for the Direct Intermolecular Aldol Reaction between Cyclohexanone and Aromatic Aldehydes
Authors: Doherty Simon , Knight Julian G. , McRae Amy , Harrington Ross W. , Clegg William
Published: February 2008

Oxazoline‐substituted prolinamides catalyse the direct asymmetric aldol reaction between cyclohexanone and a range of aldehydes to give excellent conversions and enantioselectivities up to 84 % under optimum conditions. Reactions were highly substrate‐specific with electron‐deficient aldehydes giving the highest yields and ee values. The absolute configuration of the 4‐chlorobenzaldehyde‐derived product was unequivocally established as (2S,1′R) by single‐crystal X‐ray analysis, and the stereochemistry of the product was shown to be determined principally by the stereochemistry of the proline fragment.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Stable‐Ion NMR and GIAO‐DFT Study of the Carbocations from Benzofluorenes and Dibenzofluorenes; Synthesis of Nitro Derivatives; Mutagenicity Assay and X‐ray Analysis
Authors: Laali Kenneth K. , Okazaki Takao , Sultana Fatima , Bunge Scott D. , Banik Bimal K. , Swartz Carol
Published: February 2008

First examples of stable carbocations are reported from 7H‐benzo[c]fluorene (2), 11H‐benzo[b]fluorene (3), 11H‐benzo[a]fluorene (4), 2‐methoxy‐ (5), 7‐methoxy‐ (6), and 9‐methoxy‐11H‐benzo[a]fluorene (7), 7H‐dibenzo[c,g]fluorene (8), 13H‐dibenzo[a,g]fluorene (9), 2‐methoxy‐13H‐dibenzo[a,g]fluorene (10) and 5,6‐dihydro‐13H‐dibenzo[a,g]fluorene (11). Charge‐delocalization modes in the resulting carbocations were derived based on experimental and/or computed (GIAO‐DFT) Δδ13C values and through the NPA‐derived changes in charges (Δq). Whereas protonation regioselectivity in the parent systems (2, 3, 4, 8, and 9) corresponds to the energetically most favored carbocations computed by DFT, selectivity in the OMe‐substituted derivatives (5, 6, 7, 10, and 11) is strongly controlled by the methoxy group. Benzofluorenes 3, 5, 6, and 7 and dibenzofluorenes 8, and 10 were nitrated under very mild conditions. Nitration selectivity in the parent systems 3 and 8 parallels those in stable‐ion protonation, whereas regioselectivity in the MeO derivatives (6, 7, and 10) corresponds more closely to relative arenium ion energies in the parent unsubstituted systems. Comparative mutagenicity assays (Ames tests) were performed on 3NO2, 5NO2, 7NO2, 8NO2, and 10NO2 relative to their precursors. Compounds 10NO2, 7NO2, and 8NO2 were found to be potent direct‐acting mutagens (with 10NO2, 8NO2 also capable of acting as potent indirect mutagens). The X‐ray structures of 5NO2 and 8NO2 were determined. The angle between the plane of the nitro group and the aromatic ring bearing the NO2 group is 89.4° in 5NO2 and 32.4° in 8NO2. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Asymmetric Synthesis of cis‐4‐ and trans‐3‐Hydroxypipecolic Acids
Authors: Alegret Carlos , Ginesta Xavier , Riera Antoni
Published: February 2008

Enantioselective syntheses of cis‐4‐ and trans‐3‐hydroxypipecolic acids from 2,3‐epoxy‐5‐hexen‐1‐ol (7) are described. Regioselective C‐3 or C‐2 ring opening of the epoxide by the appropriate nitrogen nucleophile is the key step in each route. As enantiomerically enriched epoxy alcohols are readily available in any configuration by Sharpless epoxidation, both enantiomers are equally accessible. This approach was also employed to synthesize the natural product baikiain and the important synthetic intermediate trans‐3‐hydroxy‐2‐hydroxymethylpiperidine. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
A Modular Methodology for the Synthesis of 4‐ and 3‐Substituted Benzene and Aniline C‐Ribonucleosides
Authors: Štefko Martin , Pohl Radek , Klepetářová Blanka , Hocek Michal
Published: February 2008

A modular, efficient, and practical methodology for the preparation of 4‐ and 3‐substituted benzene and aniline C‐ribonucleosides was developed. Addition of 4‐ or 3‐bromophenyllithium (2 or 12) to TBDMS‐protected ribonolactone 3 gave hemiacetal adducts 4 or 13 as pure β‐anomers. Their reduction with Et3SiH and BF3·Et2O afforded the desired protected 4‐ or 3‐bromophenyl‐C‐ribonucleosides 6 or 15 in 66 and 75 %, respectively, over two steps from 3. Bromophenyl intermediates 6 and 15 were subjected to a series of palladium‐catalyzed cross‐coupling, alkoxylation, and amination reactions to give a series of protected 1β‐(3‐ and 4‐substituted phenyl)ribonuleosides 9 and 18. Deprotection of silylated nucleosides 9 or 18 by Et3N·3HF afforded a series of free C‐ribonucleosides 10 or 19 (20 examples). (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Heritability of body size and muscle strength in young adulthood: a study of one million Swedish men
Authors: Silventoinen Karri , Magnusson Patrik K. E. , Tynelius Per , Kaprio Jaakko , Rasmussen Finn
Published: February 2008

Moderate heritability for skeletal muscle strength has been reported in twin studies, but genetic co‐variation between muscle strength at different parts of body and body size is not well known. Further, representativeness of twin cohorts needs to be critically evaluated. Height, weight, elbow flexion, hand grip and knee extension strength were measured in young adulthood in 1,139,963 Swedish men born between 1951 and 1976. We identified 154,970 full‐brother pairs and 1582 monozygotic (MZ) and 1864 same‐sex dizygotic (DZ) complete twin pairs. The data were analyzed using quantitative genetic modeling for twin and family data. Twins compared to singletons and MZ twins compared to DZ twins were shorter, lighter and had lower muscle strength. In singletons, there was more variation in weight and the strength measures compared to twins with known zygosity but not when compared to twins with unknown zygosity. Full‐sib correlations for these traits were lower than DZ correlations. Additive genetic factors explained 81% of variation in height, 59% in body mass index and 50–60% in the strength measures. Additive genetic correlations varied from 0.13 between height and elbow flexion strength to 0.78 between elbow flexion and hand grip strength. Our results suggest that extra variation may exist in general populations not found in twin samples, probably because of selection due to non‐participation. This may have inflated heritability estimates in previous twin studies. Nonetheless, we showed that genetic factors affect muscle strength and part of these genes are common to different strength indicators and body size. Genet. Epidemiol. © 2008 Wiley‐Liss, Inc.
Hepatitis C infection and risk of malignant lymphoma
Authors: Schöllkopf Claudia , Smedby Karin Ekström , Hjalgrim Henrik , Rostgaard Klaus , Panum Inge , Vinner Lasse , Chang Ellen T. , Glimelius Bengt , Porwit Anna , Sundström Christer , Hansen Mads , Adami Hans‐Olov , Melbye Mads
Published: February 2008

The association between hepatitis C virus (HCV) infection and risk of malignant lymphoma remains controversial, perhaps due to small‐sized studies and low prevalence of HCV in the general population. On the basis of a large Danish‐Swedish population‐based case‐control study, 2,819 lymphoma patients and 1,856 controls of second‐generation Danish‐Swedish origin were screened for HCV infection using an enzyme‐linked immunosorbent assay and a confirming recombinant immunoblot assay (RIBA) test. Positive samples were tested with real‐time PCR for the presence of HCV RNA. The association between HCV infection and risk of malignant lymphoma was assessed by logistic regression. When intermediate RIBA test results were interpreted as positive, anti‐HCV antibody positivity was associated with a nonsignificant increased risk of non‐Hodgkin lymphoma (NHL) overall (odds ratio (OR) = 2.2; 95% confidence interval (CI) 0.9–5.3; n = 20 cases), of B‐cell lymphomas combined (OR = 2.4 [1.0–5.8]; n = 20) and of lymphoplasmacytic lymphoma (OR = 5.2 [1.0–26.4]; n = 2). No patients with T‐cell or Hodgkin lymphoma were HCV‐positive. A more conservative definition of HCV positivity (disregarding intermediate RIBA results) resulted in an OR = 1.6 (0.3–8.5; n = 5) for NHL overall. When the definition was further restricted to require HCV RNA positivity, OR was 1.7 (0.2–16.2; n = 3) for NHL overall. Our findings from a population with a low prevalence of HCV suggest a positive association between HCV and risk of NHL, in particular of B‐cell origin. © 2008 Wiley‐Liss, Inc.
First‐principles and molecular‐dynamics study of structure and bonding in perovskite‐type oxynitrides ABO2N (A = Ca, Sr, Ba; B = Ta, Nb)
Authors: Wolff Holger , Dronskowski Richard
Published: February 2008

A series of perovskite‐type phases of alkaline‐earth‐based tantalum and niobium oxynitrides has been studied using both first‐principles electronic‐structure calculations and molecular‐dynamics simulations, in particular by investigating different structural arrangements and anion distributions in terms of total‐energy calculations. The structural properties are explained on the basis of COHP chemical bonding analyses and semiempirical molecular orbital calculations. We provide theoretical proof for the surprising result that the local site symmetries of these phases are lower than cubic because density‐functional calculations clearly show that all crystallographic unit cells are better described as being orthorhombic with space group Pmc21 to optimize metal–nitrogen bonding; nonetheless, there is no contradiction with a macroscopic cubic description of the structures of BaTaO2N and BaNbO2N adopting space group Pmm. Additionally, we find that the anionic sublattice is ordered in all compounds studied over a wide temperature range. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
DFT study of the cryptand and benzocryptand and their complexes with alkali metal cations: Li+, Na+, K+
Authors: Wang Xueye , Wang Hengliang , Tan Yuanqiang
Published: February 2008

In the present work, a theoretical study of the cryptand 4, 7, 13, 16, 21, 24‐hexaoxa‐1, 10‐ diazabicyclo [8,8,8] hexacosan (the named [222]) and the cryptand 5, 6‐benzo‐4, 7, 13, 16, 21, 24‐hexaoxa‐1, 10‐diazabicyclo [8, 8, 8] hexacosan (the nemed [222B]) had been done using density functional theory (DFT) with B3LYP/6‐31G* method in order to obtain the electronic and geometrical structure of the cryptands and their complexes with alkali metal ions: Li+, Na+, and K+. The nucleophilicity of cryptands had been investigated by the Fukui function. For complexes, the match between cation and cavity size, the status of interaction between alkali metal ions and donor atoms in the cryptands and the rigidity of the cryptands had been analyzed through the other calculated parameters. In addition, the enthalpies of complexation reaction and cation exchange reaction had been studied by the calculated thermodynamic data. The calculated results are in a good agreement with the experimental data for the complexes. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
The calculation of static polarizabilities of 1‐3D periodic compounds. the implementation in the crystal code
Authors: Ferrero Mauro , Rérat Michel , Orlando Roberto , Dovesi Roberto
Published: February 2008

The Coupled Perturbed Hartree–Fock (CPHF) scheme has been implemented in the CRYSTAL06 program, that uses a gaussian type basis set, for systems periodic in 1D (polymers), 2D (slabs), 3D (crystals) and, as a limiting case, 0D (molecules), which enables comparison with molecular codes. CPHF is applied to the calculation of the polarizability α of LiF in different aggregation states: finite and infinite chains, slabs, and cubic crystal. Correctness of the computational scheme for the various dimensionalities and its numerical efficiency are confirmed by the correct trend of α: α for a finite linear chain containing N LiF units with large N tends to the value for the infinite chain, N parallel chains give the slab value when N is sufficiently large, and N superimposed slabs tend to the bulk value. CPHF results compare well with those obtained with a saw‐tooth potential approach, previously implemented in CRYSTAL. High numerical accuracy can easily be achieved at relatively low cost, with the same kind of dependence on the computational parameters as for the SCF cycle. Overall, the cost of one component of the dielectric tensor is roughly the same as for the SCF cycle, and it is dominated by the calculation of two‐electron four‐center integrals. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
Collective motions of rigid fragments in protein structures from smoothed electron density distributions
Authors: Leherte Laurence , Vercauteren Daniel P.
Published: February 2008

In this work, the Gaussian Network Model (GNM) and Anisotropic Network Model (ANM) approaches are applied to describe the dynamics of protein structure graphs built from calculated promolecular electron density (ED) distribution functions. A first set of analyses is carried out on results obtained from ED maxima calculated at various smoothing levels. A second set is achieved for ED networks whose edges are weighted by ED overlap integral values. Results are compared with those obtained through the classical GNM and ANM approaches applied to networks of Cα atoms. It is shown how the network model and the consideration of crystal packing as well as of the side chains may lead to various improvements dependent upon the structure under study. The selected protein structures are Crambin and Pancreatic Trypsin Inhibitor because of their small size and numerous dynamical data obtained by other authors. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
A versatile AMBER‐Gaussian QM/MM interface through PUPIL
Authors: Torras Juan , Seabra Gustavo de M. , Deumens Erik , Trickey S. B. , Roitberg Adrian E.
Published: February 2008

The PUPIL package (Program for User Package Interfacing and Linking) originally was developed to interface different programs for multiscale calculations in materials sciences (Torras et al., J Comput Aided Mater Des 2006, 13, 201; Torras et al., Comput Phys Commun 2007, 177, 265). Here we present an extension of PUPIL to computational chemistry by interfacing two widely used computational chemistry programs: AMBER (molecular dynamics) and Gaussian (quantum chemistry). The benefit is to allow the application of the advanced MD techniques available in AMBER to a hybrid QM/MM system in which the forces and energy on the QM part can be computed by any of the methods available in Gaussian. To illustrate, we present two example applications: A MD calculation of alanine dipeptide in explicit water, and a use of the steered MD capabilities in AMBER to calculate the free energy of reaction for the dissociation of Angeli's salt. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
Reaction mechanisms of dissociative chemisorption of HI, I2, and CH3I on a magic cluster Al
Authors: Kim Jong Chan , Kim Kyoung Hoon , Jung Jaehoon , Han Young‐Kyu
Published: February 2008

We have investigated the transition‐state structures and reaction mechanisms for the dissociative chemisorption reactions of HI, I2, and CH3I on the magic cluster Al. The HI, I2, and CH3I molecules approach Al with an end‐on orientation rather than a side‐on orientation because of the more effective orbital overlap in the end‐on orientation. The reactions of Al with HI and I2 would produce Al13HI– and Al13I2−, respectively, because of large exothermic energy changes and relatively small activation energies. The reaction of Al with CH3I is unlikely to take place because of the low mobility of CH3 on Al and the high activation barrier for the SN2‐type reaction. The dissociative chemisorption reactions are preferred thermodynamically to the abstractive chemisorption reactions. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008
Targeted combinatorial therapy of non‐small cell lung carcinoma using a GST‐fusion protein of full‐length or truncated MDA‐7/IL‐24 with Tarceva
Authors: Gupta Pankaj , Emdad Luni , Lebedeva Irina V. , Sarkar Devanand , Dent Paul , Curiel David T. , Settleman Jeffrey , Fisher Paul B.
Published: February 2008

Melanoma differentiation associated gene‐7/interleukin‐24 (mda‐7/IL‐24), a cytokine belonging to the IL‐10 family, displays cancer‐specific apoptosis‐inducing properties when delivered by a replication‐incompetent adenovirus (Ad.mda‐7) or as a GST‐tagged recombinant protein (GST‐MDA‐7). Previous studies demonstrated that an adenovirus expressing M4, a truncated version of MDA‐7/IL‐24 containing amino acid residues 104–206, also induced similar cancer‐specific apoptosis. We generated recombinant GST‐M4 proteins and examined the potency of GST‐MDA‐7 and GST‐M4 on a panel of epidermal growth factor receptor (EGFR) wild type and mutant non‐small cell lung carcinoma (NSCLC) cells either as a single agent or in combination with a reversible EGFR inhibitor, Tarceva. The combination of either GST‐MDA‐7 or GST‐M4 (∼0.1 µM) and Tarceva (10 µM), at sub‐optimal apoptosis‐inducing concentrations synergistically enhanced growth inhibition and apoptosis induction over that observed with either agent alone. The combination treatment also augmented inhibition of EGFR signaling, analyzed by phosphorylation of EGFR and its downstream effectors AKT and ERK1/2, over that with single‐agent therapy. Tarceva enhanced GST‐MDA‐7 and GST‐M4 toxicity in cells expressing mutated EGFR proteins that are resistant to the inhibitory effects of Tarceva. In total, these data suggest that combined treatment of NSCLC cells with an EGFR inhibitor can augment the efficacy of GST‐MDA‐7 and GST‐M4 and that the EGFR inhibitor Tarceva may mediate this combinatorial effect by inhibiting multiple tyrosine kinases in addition to the EGFR. This approach highlights a potential new combinatorial strategy, which may prove beneficial for NSCLC patients with acquired resistance to EGFR inhibitors. J. Cell. Physiol. 215: 827–836, 2008. © 2008 Wiley‐Liss, Inc.
Compressive moduli of the human medial meniscus in the axial and radial directions at equilibrium and at a physiological strain rate
Authors: Chia Helena N. , Hull M. L.
Published: February 2008

The axial and radial compressive moduli of the human meniscus are important material properties in tibiofemoral joint models, but they have not been determined previously for fresh‐frozen tissue. Our goals were to measure the moduli at equilibrium and at a physiological strain rate, to determine whether the axial and radial compressive moduli are equal for each type of loading, and to determine whether they depend on the region (i.e., anterior, middle, posterior) of the meniscus. Samples from each region from 10 fresh‐frozen human medial menisci were tested in unconfined compression at four strain levels (3%, 6%, 9%, and 12%) at 32%/s, a strain rate determined to be physiologically relevant to walking, and then allowed to reach equilibrium in stress relaxation. At equilibrium, the axial and radial compressive moduli at 12% strain were 83.4 kPa and 76.1 kPa, respectively (p = 0.58), whereas at the physiological strain rate, the axial and radial compressive moduli at 12% strain were 718 kPa and 605 kPa, respectively (p = 0.61). At the physiological strain rate, the modulus increased with increasing strain (79.2 kPa at 3% strain vs. 662 kPa at 12% strain) and the modulus in the anterior region (1,048 kPa at 12% strain) was significantly greater than that in the posterior region (329 kPa at 12% strain) (p = 0.04). Our study supports a plane of isotropy for the material properties of meniscal tissue. However, the material behavior is strongly nonlinear because the compressive modulus is several orders of magnitude smaller than previously reported values for tensile modulus. Further, the compressive modulus depends on the activity of interest (i.e., static such as standing or dynamic such as walking) due to viscoelastic effects, the strain level, and the region of the tissue. © 2008 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 26:951–956, 2008