Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins.

Science.gov (United States)

Li Manni, Giovanni; Smart, Simon D; Alavi, Ali

2016-03-08

A novel stochastic Complete Active Space Self-Consistent Field (CASSCF) method has been developed and implemented in the Molcas software package. A two-step procedure is used, in which the CAS configuration interaction secular equations are solved stochastically with the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) approach, while orbital rotations are performed using an approximated form of the Super-CI method. This new method does not suffer from the strong combinatorial limitations of standard MCSCF implementations using direct schemes and can handle active spaces well in excess of those accessible to traditional CASSCF approaches. The density matrix formulation of the Super-CI method makes this step independent of the size of the CI expansion, depending exclusively on one- and two-body density matrices with indices restricted to the relatively small number of active orbitals. No sigma vectors need to be stored in memory for the FCIQMC eigensolver--a substantial gain in comparison to implementations using the Davidson method, which require three or more vectors of the size of the CI expansion. Further, no orbital Hessian is computed, circumventing limitations on basis set expansions. Like the parent FCIQMC method, the present technique is scalable on massively parallel architectures. We present in this report the method and its application to the free-base porphyrin, Mg(II) porphyrin, and Fe(II) porphyrin. In the present study, active spaces up to 32 electrons and 29 orbitals in orbital expansions containing up to 916 contracted functions are treated with modest computational resources. Results are quite promising even without accounting for the correlation outside the active space. The systems here presented clearly demonstrate that large CASSCF calculations are possible via FCIQMC-CASSCF without limitations on basis set size.

Localized Symmetry Breaking for Tuning Thermal Expansion in ScF ₃ Nanoscale Frameworks

Energy Technology Data Exchange (ETDEWEB)

Hu, Lei [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Qin, Feiyu [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Sanson, Andrea [Department of Physics and Astronomy, University of Padova, Padova I-35131, Italy; Huang, Liang-Feng [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Pan, Zhao [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Li, Qiang [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Sun, Qiang [International Laboratory for Quantum Functional Materials of Henan, School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001, China; Wang, Lu [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Guo, Fangmin [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Aydemir, Umut [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Department of Chemistry, Koc University, Sariyer, Istanbul 34450, Turkey; Ren, Yang [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Sun, Chengjun [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States; Deng, Jinxia [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Aquilanti, Giuliana [Elettra Sincrotrone Trieste, Basovizza, Trieste I-34149, Italy; Rondinelli, James M. [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States; Chen, Jun [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China; Xing, Xianran [Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China

2018-03-15

The local symmetry, beyond the averaged crystallographic structure, tends to bring unu-sual performances. Negative thermal expansion is a peculiar physical property of solids. Here, we report the delicate design of the localized symmetry breaking to achieve the controllable thermal expansion in ScF3 nano-scale frameworks. Intriguingly, an isotropic zero thermal expansion is concurrently engi-neered by localized symmetry breaking, with a remarkably low coefficient of thermal expansion of about +4.0×10-8/K up to 675K. This mechanism is investigated by the joint analysis of atomic pair dis-tribution function of synchrotron X-ray total scattering and extended X-ray absorption fine structure spectra. A localized rhombohedral distortion presumably plays a critical role in stiffening ScF3 nano-scale frameworks and concomitantly suppressing transverse thermal vibrations of fluorine atoms. This physical scenario is also theoretically corroborated by the extinction of phonon modes with negative Grüneisen parameters in the rhombohedral ScF3. The present work opens an untraditional chemical modification to achieve controllable thermal expansion by breaking local symmetries of materials.

Molecular Characterization of PDGFR-α/PDGF-A and c-KIT/SCF in Gliosarcomas

Directory of Open Access Journals (Sweden)

Rui M. Reis

2005-01-01

Full Text Available Gliosarcomas are rare and poorly characterized malignant brain tumors that exhibit a biphasic tissue pattern with areas of gliomatous and sarcomatous differentiation. These tumors are histological variants of glioblastoma, displaying a similar genetic profile and dismal prognosis. Up-regulation of PDGFR subfamily of tyrosine kinase members, PDGFR-α and c-Kit, and their intracellular effectors RAS/RAF/MAPK has a crucial role in the cancer development. In addition, signal transduction mediated by activating mutations of c-Kit and PDGFR can be effectively blocked by specific tyrosine kinase inhibitors, such as Imatinib mesylate. The aim of this study was to characterize the molecular alterations of PDGFR signaling in gliosarcomas. Six cases were analyzed by immunohistochemistry for the expression of PDGFR-α, c-Kit and their ligands PDGF-A and SCF, respectively. The cases were further evaluated for the presence of activating mutations of PDGFR-α (exons 12 and 18 and c-kit (exons 9, 11, 13, and 17, as well as B-RAF (exons 11 and 15. Expression of PDGF-A was found in all cases and co-expression of PDGFR-α was observed in three cases. Four cases showed expression of SCF, and c-Kit was observed only in one case that also expressed SCF. Generally, immunoreaction predominates in the glial component. The mutational analysis of PDGFR-α showed the presence of an IVS17-50insT intronic insertion in two cases, one of them also with a 2472C > T silent mutation; this silent mutation was also found in another case. Glioma cell line analysis of IVS17-50insT insertion showed no influence on PDGFR-α gene splicing. No mutations were detected in c-kit and B-RAF oncogenes. Our Results indicate that activating mutations of PDGFR-α, c-kit and B-RAF are absent in gliosarcomas. Nevertheless, the presence of a PDGFR-a/PDGFA and c-Kit/SCF autocrine/paracrine stimulation loop in a proportion of cases, supports the potential role of specific tyrosine kinase inhibitors in

Local structure of perovskites ReO3 and ScF3 with negative thermal expansion: interpretation beyond the quasiharmonic approximation

International Nuclear Information System (INIS)

Purans, Juris; Piskunov, Sergei; Bocharov, Dmitry; Kalinko, Aleksandr; Kuzmin, Alexei; Ali, Shehab E.; Rocca, Francesco

2016-01-01

We propose an approach beyond the quasiharmonic approximation for interpretation of EXAFS and XRD data and for ab initio calculations of electronic and vibration properties of materials with negative thermal expansion. Ab initio electronic structure and lattice dynamics calculations for cubic and distorted ScF 3 were performed using the linear combination of atomic orbitals (LCAO) method. The band gap obtained in calculations for ScF 3 is equal to 10.54 eV and agree well with the expected value. The calculated infrared spectra of F displaced (FD) cubic ScF 3 allow us to predict that its mean Sc-F-Sc angle within NTE deviates from 180 degree. (paper)

The COP9 signalosome interacts with SCF UFO and participates in Arabidopsis flower development.

Science.gov (United States)

Wang, Xiping; Feng, Suhua; Nakayama, Naomi; Crosby, W L; Irish, Vivian; Deng, Xing Wang; Wei, Ning

2003-05-01

The COP9 signalosome (CSN) is involved in multiple developmental processes. It interacts with SCF ubiquitin ligases and deconjugates Nedd8/Rub1 from cullins (deneddylation). CSN is highly expressed in Arabidopsis floral tissues. To investigate the role of CSN in flower development, we examined the expression pattern of CSN in developing flowers. We report here that two csn1 partially deficient Arabidopsis strains exhibit aberrant development of floral organs, decline of APETALA3 (AP3) expression, and low fertility in addition to defects in shoot and inflorescence meristems. We show that UNUSUAL FLORAL ORGANS (UFO) forms a SCF(UFO) complex, which is associated with CSN in vivo. Genetic interaction analysis indicates that CSN is necessary for the gain-of-function activity of the F-box protein UFO in AP3 activation and in floral organ transformation. Compared with the previously reported csn5 antisense and csn1 null mutants, partial deficiency of CSN1 causes a reduction in the level of CUL1 in the mutant flowers without an obvious defect in CUL1 deneddylation. We conclude that CSN is an essential regulator of Arabidopsis flower development and suggest that CSN regulates Arabidopsis flower development in part by modulating SCF(UFO)-mediated AP3 activation.

Resveratrol Improves Cell Cycle Arrest in Chronic Prostatitis Rats, by C-kit/SCF Suppression.

Science.gov (United States)

He, Yi; Zeng, Huizhi; Yu, Yang; Zhang, Jiashu; Zeng, Xiaona; Gong, Fengtao; Liu, Qi; Yang, Bo

2017-08-01

Chronic prostatitis (CP) with complex pathogenesis is difficult for treatment. c-kit has been associated with the control of cell proliferation of prostate cells. This study aims to evaluate the role of resveratrol, an activator of Sirt1, in regulating the expression of c-kit in CP and investigate the consequent effects on cell cycle. Rat model of CP was established through subcutaneous injections of diphtheria-pertussis-tetanus vaccine and subsequently treated with resveratrol. Hematoxylin and eosin staining was performed to identify the histopathological changes in prostates. Western blotting and immunohistochemical staining examined the expression level of c-kit, stem cell factor (SCF), Sirt1, and cell cycle-associated proteins. The model group exhibited severe diffuse chronic inflammation, characterized by leukocyte infiltration and papillary frond protrusion into the gland cavities, and a notable increase in prostatic epithelial height. Gland lumen diameter was also significantly smaller; the activity of c-kit/SCF in the CP rats was increased significantly compared to the control group. Meanwhile, the cell cycle proteins are dysregulated significantly in CP rats. Resveratrol treatment significantly improved these factors by Sirt1 activation. Dysregulation of cell cycle was involved in the pathological processes of CP, which was improved after resveratrol treatment by the downregulation of c-kit/SCF by activating Sirt1.

Electronic spectroscopy of HRe(CO) 5: a CASSCF/CASPT2 and TD-DFT study

Science.gov (United States)

Bossert, J.; Ben Amor, N.; Strich, A.; Daniel, C.

2001-07-01

The low-lying excited states of HRe(CO) 5 have been calculated at the CASSCF/CASPT2 and TD-DFT level of theory using relativistic effective core potentials (ECP) or ab initio model potentials (AIMP). The theoretical absorption spectrum is compared to the experimental one. Despite the similarity between the experimental absorption spectra of HMn(CO) 5 and HRe(CO) 5 in the UV/visible energy domain it is shown that the assignment differs significantly between the two molecules. The low-lying excited states of HRe(CO) 5 correspond to 5d→π *CO excitations whereas the spectrum of HMn(CO) 5 consists mainly of 3d→3d and 3d→ σ*Mn-H excitations. If the CASPT2 and TD-DFT results are quite comparable for the lowest excited states, the upper part assignment is more problematic with the TD-DFT method.

Hijacking of the host SCF ubiquitin ligase machinery by plant pathogens

Directory of Open Access Journals (Sweden)

Shimpei eMagori

2011-11-01

Full Text Available The SCF (SKP1-CUL1-F-box protein ubiquitin ligase complex mediates polyubiquitination of proteins targeted for degradation, thereby controlling a plethora of biological processes in eukaryotic cells. Although this ubiquitination machinery is found and functional only in eukaryotes, many non-eukaryotic pathogens also encode F-box proteins, the critical subunits of the SCF complex. Increasing evidence indicates that such non-eukaryotic F-box proteins play an essential role in subverting or exploiting the host ubiquitin/proteasome system for efficient pathogen infection. A recent bioinformatic analysis has identified more than 70 F-box proteins in 22 different bacterial species, suggesting that use of pathogen-encoded F-box effectors in the host cell may be a widespread infection strategy. In this review, we focus on plant pathogen-encoded F-box effectors, such as VirF of Agrobacterium tumefaciens, GALAs of Ralstonia solanacearum, and P0 of Poleroviruses, and discuss the molecular mechanism by which plant pathogens use these factors to manipulate the host cell for their own benefit.

Casscf/ci Calculations for First Row Transition Metal Hydrides - the TIH(4-PHI), VH(5-DELTA), CRH(6-SIGMA-PLUS), MNH(7-SIGMA-PLUS), FEH(4,6-DELTA) and NIH(2-DELTA) States

Science.gov (United States)

Walch, S. P.; Bauschlicher, C. W., Jr.

1983-04-01

Calculations are performed for the predicted ground states of TiH(4-phi), VH(5-delta), CrH(6-sigma-plus), MnH(7-sigma-plus), Fett(4,6-delta) and NiH(2-delta). For FeH both the 6-delta and 4-delta states are studied, since both are likely candidates for the ground state. The ground state symmetries are predicted based on a combination of atomic coupling arguments and coupling of 4s(2)3d(n) and 4s(1)3d(n+1) terms in the molecular system. Electron correlation is included by a CASSCF/CI (SD) treatment. The CASSCF includes near-degeneracy effects, while correlation of the 3d electrons in included at the CI level.

RHFPPP, SCF-LCAO-MO Calculation for Closed Shell and Open Shell Organic Molecules

International Nuclear Information System (INIS)

Bieber, A.; Andre, J.J.

1987-01-01

1 - Nature of physical problem solved: Complete program performs SCF-LCAO-MO calculations for both closed and open-shell organic pi-molecules. The Pariser-Parr-People approximations are used with- in the framework of the restricted Hartree-Fock method. The SCF calculation is followed, if desired, by a variational configuration interaction (CI) calculation including singly excited configurations. 2 - Method of solution: A standard procedure is used; at each step a real symmetric matrix has to be diagonalized. The self-consistency is checked by comparing the eigenvectors between two consecutive steps. 3 - Restrictions on the complexity of the problem: i) The calculations are restricted to planar molecules. ii) In order to avoid accumulation of round-off errors, in the iterative procedure, double precision arithmetic is used. iii) The program is restricted to systems up to about 16 atoms; however the size of the systems can easily be modified if required

MLL-ENL cooperates with SCF to transform primary avian multipotent cells.

Science.gov (United States)

Schulte, Cathleen E; von Lindern, Marieke; Steinlein, Peter; Beug, Hartmut; Wiedemann, Leanne M

2002-08-15

The MLL gene is targeted by chromosomal translocations, which give rise to heterologous MLL fusion proteins and are associated with distinct types of acute lymphoid and myeloid leukaemia. To determine how MLL fusion proteins alter the proliferation and/or differentiation of primary haematopoietic progenitors, we introduced the MLL-AF9 and MLL-ENL fusion proteins into primary chicken bone marrow cells. Both fusion proteins caused the sustained outgrowth of immature haematopoietic cells, which was strictly dependent on stem cell factor (SCF). The renewing cells have a long in vitro lifespan exceeding the Hayflick limit of avian cells. Analysis of clonal cultures identified the renewing cells as immature, multipotent progenitors, expressing erythroid, myeloid, lymphoid and stem cell surface markers. Employing a two-step commitment/differentiation protocol involving the controlled withdrawal of SCF, the MLL-ENL-transformed progenitors could be induced to terminal erythroid or myeloid differentiation. Finally, in cooperation with the weakly leukaemogenic receptor tyrosine kinase v-Sea, the MLL-ENL fusion protein gave rise to multilineage leukaemia in chicks, suggesting that other activated, receptor tyrosine kinases can substitute for ligand-activated c-Kit in vivo.

Research into topology optimization and the FDM method for a space cracked membrane

Science.gov (United States)

Hu, Qingxi; Li, Wanyuan; Zhang, Haiguang; Liu, Dali; Peng, Fujun; Duan, Yongchao

2017-07-01

The problem that the space membranes are easily torn open is the main focus in this paper, and a bionic strengthening-ribs structure is proposed for a space membrane based on interdisciplinary strengths, such as topology optimization, composite materials, and rapid prototyping. The optimization method and modeling method of membranes with bionic strengthening-ribs was studied. The PEEK and SCF/PEEK composite material which are applied to the space environment are chosen, and FDM technology is used. Through topology optimization, bionic strengthening-ribs with good tensile and tear capacities were obtained. Cracked membranes, cracked membranes with PEEK strengthening-ribs and SCF/PEEK strengthening-ribs were tested and test data were obtained. An extension situation and tension fracture were compared for three cases. The experimental results showed that membranes with the bionic strengthening-ribs structure have better mechanical properties, and the strength of the membranes with PEEK and SCF/PEEK strengthening-ribs were raised, respectively, up to 266.9% and 185.9%. The strengthening-ribs structure greatly improves the capacity to halt membrane crack-growth, which has an important significance to avoid membrane tear, and to ensure the spacecraft orbital lifetime.

Selection of active spaces for multiconfigurational wavefunctions

Energy Technology Data Exchange (ETDEWEB)

Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch [Laboratorium für Physikalische Chemie, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich (Switzerland); Janowski, Tomasz; Pulay, Peter, E-mail: pulay@uark.edu [Department of Chemistry and Biochemistry, Fulbright College of Arts and Sciences, University of Arkansas, Fayetteville, Arkansas 72701 (United States)

2015-06-28

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions

Selection of active spaces for multiconfigurational wavefunctions

International Nuclear Information System (INIS)

Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus; Janowski, Tomasz; Pulay, Peter

2015-01-01

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F 2 , ozone, and NO 2 ), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr 2 ). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed

Selection of active spaces for multiconfigurational wavefunctions

Science.gov (United States)

Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter

2015-06-01

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F2, ozone, and NO2), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr2). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed

A highly triflated rare-earth ion in [Eu(O_3SCF_3)_8]"5"-

International Nuclear Information System (INIS)

Bruns, Joern; Kluener, Thorsten; Kraeuter, Jessica; Wickleder, Mathias S.; Krueger, Sascha; Adlung, Matthias; Wickleder, Claudia; Niehaus, Oliver; Poettgen, Rainer

2015-01-01

The reaction of Eu_2O_3 with fuming nitric acid, trifluormethanesulfonic acid, and its anhydride in torch-sealed glass ampoules at 120 C gave the europium compound (NO)_5[Eu(O_3SCF_3)_8] (orthorhombic, Fddd, Z=16, a=1932.69(4), b=2878.44(7), c=2955.12(7) pm, V=16439.7(7) Aa"3). The compound exhibits the [Eu(O_3SCF_3)_8]"5"- anion showing for the first time a lanthanide ion that is exclusively coordinated by eight triflate anions. The anion has been further investigated by DFT calculations, which also allowed clear assignment of the vibrational spectra. Moreover, magnetochemical and luminescence measurements gave additional insight into the properties of this complex. The luminescence spectra revealed that the Eu"3"+ ions are in a pseudo D_4_d symmetric environment. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

CDK-mediated activation of the SCF(FBXO) (28) ubiquitin ligase promotes MYC-driven transcription and tumourigenesis and predicts poor survival in breast cancer

DEFF Research Database (Denmark)

Cepeda, Diana; Ng, Hwee-Fang; Sharifi, Hamid Reza

2013-01-01

SCF (Skp1/Cul1/F-box) ubiquitin ligases act as master regulators of cellular homeostasis by targeting key proteins for ubiquitylation. Here, we identified a hitherto uncharacterized F-box protein, FBXO28 that controls MYC-dependent transcription by non-proteolytic ubiquitylation. SCF(FBXO28...... results in an impairment of MYC-driven transcription, transformation and tumourigenesis. Finally, in human breast cancer, high FBXO28 expression and phosphorylation are strong and independent predictors of poor outcome. In conclusion, our data suggest that SCF(FBXO28) plays an important role...... in transmitting CDK activity to MYC function during the cell cycle, emphasizing the CDK-FBXO28-MYC axis as a potential molecular drug target in MYC-driven cancers, including breast cancer....

Identification of She3 as an SCF(Grr1 substrate in budding yeast.

Directory of Open Access Journals (Sweden)

Ruiwen Wang

Full Text Available The highly orchestrated progression of the cell cycle depends on the degradation of many regulatory proteins at different cell cycle stages. One of the key cell cycle ubiquitin ligases is the Skp1-cullin-F-box (SCF complex. Acting in concert with the substrate-binding F-box protein Grr1, SCF(Grr1 promotes the degradation of cell cycle regulators as well as various metabolic enzymes. Using a yeast two-hybrid assay with a Grr1 derivative as the bait, we identified She3, which is an adaptor protein in the asymmetric mRNA transport system, as a novel Grr1 substrate. We generated stabilized She3 mutants, which no longer bound to Grr1, and found that the degradation of She3 is not required for regulating asymmetric mRNA transport. However, She3 stabilization leads to slower growth compared to wild-type cells in a co-culture assay, demonstrating that the degradation of She3 by Grr1 is required for optimal cell growth.

SCF(KMD) controls cytokinin signaling by regulating the degradation of type-B response regulators.

Science.gov (United States)

Kim, Hyo Jung; Chiang, Yi-Hsuan; Kieber, Joseph J; Schaller, G Eric

2013-06-11

Cytokinins are plant hormones that play critical roles in growth and development. In Arabidopsis, the transcriptional response to cytokinin is regulated by action of type-B Arabidopsis response regulators (ARRs). Although central elements in the cytokinin signal transduction pathway have been identified, mechanisms controlling output remain to be elucidated. Here we demonstrate that a family of F-box proteins, called the kiss me deadly (KMD) family, targets type-B ARR proteins for degradation. KMD proteins form an S-phase kinase-associated PROTEIN1 (SKP1)/Cullin/F-box protein (SCF) E3 ubiquitin ligase complex and directly interact with type-B ARR proteins. Loss-of-function KMD mutants stabilize type-B ARRs and exhibit an enhanced cytokinin response. In contrast, plants with elevated KMD expression destabilize type-B ARR proteins leading to cytokinin insensitivity. Our results support a model in which an SCF(KMD) complex negatively regulates cytokinin responses by controlling levels of a key family of transcription factors.

SCF^{Cyclin F}-dependent degradation of CDC6 suppresses DNA re-replication

DEFF Research Database (Denmark)

Walter, David; Hoffmann, Saskia; Komseli, Eirini-Stavroula

2016-01-01

interact through defined sequence motifs that promote CDC6 ubiquitylation and degradation. Absence of Cyclin F or expression of a stable mutant of CDC6 promotes re-replication and genome instability in cells lacking the CDT1 inhibitor Geminin. Together, our work reveals a novel SCF(Cyclin F...

On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study

International Nuclear Information System (INIS)

Casadesus, Ricard; Vendrell, Oriol; Moreno, Miquel; Lluch, Jose M.; Morokuma, Keiji

2006-01-01

The intramolecular proton-transfer reaction in 3-hydroxyflavone (3HF) is theoretically studied both in the ground (S 0 ) and first singlet excited (S 1 ) electronic states. In S 0 the proton-transfer reaction is shown to be quite unfavorable at the DFT (B3LYP) level. However, the back proton transfer is found to be a feasible process with a small energy barrier, both results being in qualitative agreement with known experimental facts. Different theoretical levels are considered and compared for S 1 . The ab initio configuration interaction singles (CIS) method overestimates the energy of S 1 and give too high energy barriers for the proton-transfer reaction. The complete active space SCF (CASSCF) method gives a more reasonable value but the inclusion of the dynamical correlation through second-order perturbation theory (CASPT2) upon CASSCF geometries or the use of the time-dependent DFT (TDDFT) method upon CIS geometries gives a barrierless process. Optimization of geometries (minima and transition-state structures) at the TDDFT level leads to a small but non-negligible energy barrier for the proton-transfer reaction in S 1 and global energies that fit quite well with the known experimental (spectroscopic and femtochemistry) data. Finally the effect of a polar environment is analyzed through a continuum model, which gives only a small difference from the previous gas-phase results. This points out that the remarkable changes in the photochemistry of 3HF observed experimentally are not to be solely attributed to the polarity of the surrounding media

On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state: A theoretical study

Energy Technology Data Exchange (ETDEWEB)

Casadesus, Ricard [Departament de Quimica, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain); Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, GA 30322 (United States); Vendrell, Oriol [Departament de Quimica, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain); Moreno, Miquel [Departament de Quimica, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain)], E-mail: mmf@klingon.uab.es; Lluch, Jose M. [Departament de Quimica, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain); Morokuma, Keiji [Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, GA 30322 (United States)

2006-06-20

The intramolecular proton-transfer reaction in 3-hydroxyflavone (3HF) is theoretically studied both in the ground (S{sub 0}) and first singlet excited (S{sub 1}) electronic states. In S{sub 0} the proton-transfer reaction is shown to be quite unfavorable at the DFT (B3LYP) level. However, the back proton transfer is found to be a feasible process with a small energy barrier, both results being in qualitative agreement with known experimental facts. Different theoretical levels are considered and compared for S{sub 1}. The ab initio configuration interaction singles (CIS) method overestimates the energy of S{sub 1} and give too high energy barriers for the proton-transfer reaction. The complete active space SCF (CASSCF) method gives a more reasonable value but the inclusion of the dynamical correlation through second-order perturbation theory (CASPT2) upon CASSCF geometries or the use of the time-dependent DFT (TDDFT) method upon CIS geometries gives a barrierless process. Optimization of geometries (minima and transition-state structures) at the TDDFT level leads to a small but non-negligible energy barrier for the proton-transfer reaction in S{sub 1} and global energies that fit quite well with the known experimental (spectroscopic and femtochemistry) data. Finally the effect of a polar environment is analyzed through a continuum model, which gives only a small difference from the previous gas-phase results. This points out that the remarkable changes in the photochemistry of 3HF observed experimentally are not to be solely attributed to the polarity of the surrounding media.

Evidence supporting dissimilatory and assimilatory lignin degradation in Enterobacter lignolyticus SCF1

Directory of Open Access Journals (Sweden)

Kristen M DeAngelis

2013-09-01

Full Text Available The anaerobic isolate Enterobacter lignolyticus SCF1 was initially cultivated based on anaerobic growth on lignin as sole carbon source. The source of the isolated bacteria was from tropical forest soils that decompose litter rapidly with low and fluctuating redox potentials, making it likely that bacteria using oxygen-independent enzymes play an important role in decomposition. We have used transcriptomics and proteomics to examine the increased growth of the anaerobic isolate Enterobacter lignolyticus SCF1 when grown on media amended with lignin compared to unamended growth. Proteomics revealed accelerated xylose uptake and metabolism under lignin-amended growth, and lignin degradation via the 4-hydroxyphenylacetate degradation pathway, catalase/peroxidase enzymes, and the glutathione biosynthesis and glutathione S-transferase proteins. We also observed increased production of NADH-quinone oxidoreductase, other electron transport chain proteins, and ATP synthase and ATP-binding cassette (ABC transporters. We detected significant lignin degradation over time by absorbance, and also used metabolomics to demonstrate increased xylose utilization in lignin-amended compared to unamended growth. Our data shows the advantages of a multi-omics approach, where incomplete pathways identified by genomics were completed, and new observations made on coping with poor carbon availability. The fast growth, high efficiency and specificity of enzymes employed in bacterial anaerobic litter deconstruction makes these soils useful templates for improving biofuel production.

Multi-time series RNA-seq analysis of Enterobacter lignolyticus SCF1 during growth in lignin-amended medium

Energy Technology Data Exchange (ETDEWEB)

Orellana, Roberto; Chaput, Gina; Markillie, Lye Meng; Mitchell, Hugh; Gaffrey, Matt; Orr, Galya; DeAngelis, Kristen M.; Yang, Shihui

2017-10-19

The production of lignocellulosic-derived biofuels is a highly promising source of alternative energy, but it has been constrained by the lack of a microbial platform capable to efficiently degrade this recalcitrant material and cope with by-products that can be toxic to cells. Species that naturally grow in environments where carbon is mainly available as lignin are promising for finding new ways of removing the lignin that protects cellulose for improved conversion of lignin to fuel precursors. Enterobacter lignolyticus SCF1 is a facultative anaerobic Gammaproteobacteria isolated from tropical rain forest soil collected in El Yunque forest, Puerto Rico under anoxic growth conditions with lignin as sole carbon source. Whole transcriptome analysis of SCF1 during E.lignolyticus SCF1 lignin degradation was conducted on cells grown in the presence (0.1%, w/w) and the absence of lignin, where samples were taken at three different times during growth, beginning of exponential phase, midexponential phase and beginning of stationary phase. Lignin-amended cultures achieved twice the cell biomass as unamended cultures over three days, and in this time degraded 60% of lignin. Transcripts in early exponential phase reflected this accelerated growth. A complement of laccases, aryl-alcohol dehydrogenases, and peroxidases were most up-regulated in lignin amended conditions in mid-exponential and early stationary phases compared to unamended growth. The association of hydrogen production by way of the formate hydrogenlyase complex with lignin degradation suggests a possible value added to lignin degradation in the future.

Multi-time series RNA-seq analysis of Enterobacter lignolyticus SCF1 during growth in lignin-amended medium.

Science.gov (United States)

Orellana, Roberto; Chaput, Gina; Markillie, Lye Meng; Mitchell, Hugh; Gaffrey, Matt; Orr, Galya; DeAngelis, Kristen M

2017-01-01

The production of lignocellulosic-derived biofuels is a highly promising source of alternative energy, but it has been constrained by the lack of a microbial platform capable to efficiently degrade this recalcitrant material and cope with by-products that can be toxic to cells. Species that naturally grow in environments where carbon is mainly available as lignin are promising for finding new ways of removing the lignin that protects cellulose for improved conversion of lignin to fuel precursors. Enterobacter lignolyticus SCF1 is a facultative anaerobic Gammaproteobacteria isolated from tropical rain forest soil collected in El Yunque forest, Puerto Rico under anoxic growth conditions with lignin as sole carbon source. Whole transcriptome analysis of SCF1 during E.lignolyticus SCF1 lignin degradation was conducted on cells grown in the presence (0.1%, w/w) and the absence of lignin, where samples were taken at three different times during growth, beginning of exponential phase, mid-exponential phase and beginning of stationary phase. Lignin-amended cultures achieved twice the cell biomass as unamended cultures over three days, and in this time degraded 60% of lignin. Transcripts in early exponential phase reflected this accelerated growth. A complement of laccases, aryl-alcohol dehydrogenases, and peroxidases were most up-regulated in lignin amended conditions in mid-exponential and early stationary phases compared to unamended growth. The association of hydrogen production by way of the formate hydrogenlyase complex with lignin degradation suggests a possible value added to lignin degradation in the future.

A scalable implementation of RI-SCF on parallel computers

International Nuclear Information System (INIS)

Fruechtl, H.A.; Kendall, R.A.; Harrison, R.J.

1996-01-01

In order to avoid the integral bottleneck of conventional SCF calculations, the Resolution of the Identity (RI) method is used to obtain an approximate solution to the Hartree-Fock equations. In this approximation only three-center integrals are needed to build the Fock matrix. It has been implemented as part of the NWChem package of portable and scalable ab initio programs for parallel computers. Utilizing the V-approximation, both the Coulomb and exchange contribution to the Fock matrix can be calculated from a transformed set of three-center integrals which have to be precalculated and stored. A distributed in-core method as well as a disk based implementation have been programmed. Details of the implementation as well as the parallel programming tools used are described. We also give results and timings from benchmark calculations

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

Science.gov (United States)

Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

2016-07-12

A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

Evidence supporting dissimilatory and assimilatory lignin degradation in Enterobacter lignolyticus SCF1

Energy Technology Data Exchange (ETDEWEB)

DeAngelis, Kristen M.; Sharma, Deepak; Varney, Rebecca; Simmons, Blake A.; Isern, Nancy G.; Markillie, Lye Meng; Nicora, Carrie D.; Norbeck, Angela D.; Taylor, Ronald C.; Aldrich, Joshua T.; Robinson, Errol W.

2013-08-29

The anaerobic isolate Enterobacter lignolyticus SCF1 was initially cultivated based on anaerobic growth on lignin as sole carbon source. The source of the isolated bacteria was from tropical forest soils that decompose litter rapidly with low and fluctuating redox potentials, making it likely that bacteria using oxygen-independent enzymes play an important role in decomposition. We have examined differential expression of the anaerobic isolate Enterobacter lignolyticus SCF1 during growth on lignin. After 48 hours of growth, we used transcriptomics and proteomics to define the enzymes and other regulatory machinery that these organisms use to degrade lignin, as well as metabolomics to measure lignin degradation and monitor the use of lignin and iron as terminal electron acceptors that facilitate more efficient use of carbon. Proteomics revealed accelerated xylose uptake and metabolism under lignin-amended growth, and lignin degradation via the 4-hydroxyphenylacetate degradation pathway, catalase/peroxidase enzymes, and the glutathione biosynthesis and glutathione S-transferase proteins. We also observed increased production of NADH-quinone oxidoreductase, other electron transport chain proteins, and ATP synthase and ATP-binding cassette (ABC) transporters. Our data shows the advantages of a multi-omics approach, where incomplete pathways identified by genomics were completed, and new observations made on coping with poor carbon availability. The fast growth, high efficiency and specificity of enzymes employed in bacterial anaerobic litter deconstruction makes these soils useful templates for improving biofuel production.

Copper-Assisted Oxidative Trifluoromethylthiolation of 2,3-Allenoic Acids with AgSCF3.

Science.gov (United States)

Pan, Shen; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling

2017-09-01

The oxidative trifluoromethylthiolation of 2,3-allenoic acids with AgSCF 3 in the presence of (NH 4 ) 2 S 2 O 8 and catalytic copper salt was investigated. A series of 4-aryl-2,3-allenoic acids underwent radical trifluoromethylthiolation/intramolecular cyclization to afford β-trifluoromethylthiolated butenolides, which were conveniently transformed into trifluoromethylthiolated furan derivatives. In contrast, 2-monosubstituted 2,3-allenoic acids were converted into the corresponding 3,4-bis(trifluoromethylthio)but-2-enoic-acids under similar reaction conditions.

Knockdown of SCF(Skp2 function causes double-parked accumulation in the nucleus and DNA re-replication in Drosophila plasmatocytes.

Directory of Open Access Journals (Sweden)

Paul T Kroeger

Full Text Available In Drosophila, circulating hemocytes are derived from the cephalic mesoderm during the embryonic wave of hematopoiesis. These cells are contributed to the larva and persist through metamorphosis into the adult. To analyze this population of hemocytes, we considered data from a previously published RNAi screen in the hematopoietic niche, which suggested several members of the SCF complex play a role in lymph gland development. eater-Gal4;UAS-GFP flies were crossed to UAS-RNAi lines to knockdown the function of all known SCF complex members in a plasmatocyte-specific fashion, in order to identify which members are novel regulators of plasmatocytes. This specific SCF complex contains five core members: Lin-19-like, SkpA, Skp2, Roc1a and complex activator Nedd8. The complex was identified by its very distinctive large cell phenotype. Furthermore, these large cells stained for anti-P1, a plasmatocyte-specific antibody. It was also noted that the DNA in these cells appeared to be over-replicated. Gamma-tubulin and DAPI staining suggest the cells are undergoing re-replication as they had multiple centrioles and excessive DNA content. Further experimentation determined enlarged cells were BrdU-positive indicating they have progressed through S-phase. To determine how these cells become enlarged and undergo re-replication, cell cycle proteins were analyzed by immunofluorescence. This analysis identified three proteins that had altered subcellular localization in these enlarged cells: Cyclin E, Geminin and Double-parked. Previous research has shown that Double-parked must be degraded to exit S-phase, otherwise the DNA will undergo re-replication. When Double-parked was titrated from the nucleus by an excess of its inhibitor, geminin, the enlarged cells and aberrant protein localization phenotypes were partially rescued. The data in this report suggests that the SCF(Skp2 complex is necessary to ubiquitinate Double-parked during plasmatocyte cell division

Functional requirements document for the Earth Observing System Data and Information System (EOSDIS) Scientific Computing Facilities (SCF) of the NASA/MSFC Earth Science and Applications Division, 1992

Science.gov (United States)

Botts, Michael E.; Phillips, Ron J.; Parker, John V.; Wright, Patrick D.

1992-01-01

Five scientists at MSFC/ESAD have EOS SCF investigator status. Each SCF has unique tasks which require the establishment of a computing facility dedicated to accomplishing those tasks. A SCF Working Group was established at ESAD with the charter of defining the computing requirements of the individual SCFs and recommending options for meeting these requirements. The primary goal of the working group was to determine which computing needs can be satisfied using either shared resources or separate but compatible resources, and which needs require unique individual resources. The requirements investigated included CPU-intensive vector and scalar processing, visualization, data storage, connectivity, and I/O peripherals. A review of computer industry directions and a market survey of computing hardware provided information regarding important industry standards and candidate computing platforms. It was determined that the total SCF computing requirements might be most effectively met using a hierarchy consisting of shared and individual resources. This hierarchy is composed of five major system types: (1) a supercomputer class vector processor; (2) a high-end scalar multiprocessor workstation; (3) a file server; (4) a few medium- to high-end visualization workstations; and (5) several low- to medium-range personal graphics workstations. Specific recommendations for meeting the needs of each of these types are presented.

A highly triflated rare-earth ion in [Eu(O{sub 3}SCF{sub 3}){sub 8}]{sup 5-}

Energy Technology Data Exchange (ETDEWEB)

Bruns, Joern; Kluener, Thorsten; Kraeuter, Jessica; Wickleder, Mathias S. [Carl von Ossietzky Universitaet Oldenburg, Institut fuer Chemie (Germany); Krueger, Sascha; Adlung, Matthias; Wickleder, Claudia [Universitaet Siegen, Institut fuer Anorganische Chemie (Germany); Niehaus, Oliver; Poettgen, Rainer [Westfaelische Wilhelms Universitaet Muenster, Institut fuer Anorganische und Analytische Chemie (Germany)

2015-08-24

The reaction of Eu{sub 2}O{sub 3} with fuming nitric acid, trifluormethanesulfonic acid, and its anhydride in torch-sealed glass ampoules at 120 C gave the europium compound (NO){sub 5}[Eu(O{sub 3}SCF{sub 3}){sub 8}] (orthorhombic, Fddd, Z=16, a=1932.69(4), b=2878.44(7), c=2955.12(7) pm, V=16439.7(7) Aa{sup 3}). The compound exhibits the [Eu(O{sub 3}SCF{sub 3}){sub 8}]{sup 5-} anion showing for the first time a lanthanide ion that is exclusively coordinated by eight triflate anions. The anion has been further investigated by DFT calculations, which also allowed clear assignment of the vibrational spectra. Moreover, magnetochemical and luminescence measurements gave additional insight into the properties of this complex. The luminescence spectra revealed that the Eu{sup 3+} ions are in a pseudo D{sub 4d} symmetric environment. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

CDK-mediated activation of the SCF(FBXO) (28) ubiquitin ligase promotes MYC-driven transcription and tumourigenesis and predicts poor survival in breast cancer.

Science.gov (United States)

Cepeda, Diana; Ng, Hwee-Fang; Sharifi, Hamid Reza; Mahmoudi, Salah; Cerrato, Vanessa Soto; Fredlund, Erik; Magnusson, Kristina; Nilsson, Helén; Malyukova, Alena; Rantala, Juha; Klevebring, Daniel; Viñals, Francesc; Bhaskaran, Nimesh; Zakaria, Siti Mariam; Rahmanto, Aldwin Suryo; Grotegut, Stefan; Nielsen, Michael Lund; Szigyarto, Cristina Al-Khalili; Sun, Dahui; Lerner, Mikael; Navani, Sanjay; Widschwendter, Martin; Uhlén, Mathias; Jirström, Karin; Pontén, Fredrik; Wohlschlegel, James; Grandér, Dan; Spruck, Charles; Larsson, Lars-Gunnar; Sangfelt, Olle

2013-07-01

SCF (Skp1/Cul1/F-box) ubiquitin ligases act as master regulators of cellular homeostasis by targeting key proteins for ubiquitylation. Here, we identified a hitherto uncharacterized F-box protein, FBXO28 that controls MYC-dependent transcription by non-proteolytic ubiquitylation. SCF(FBXO28) activity and stability are regulated during the cell cycle by CDK1/2-mediated phosphorylation of FBXO28, which is required for its efficient ubiquitylation of MYC and downsteam enhancement of the MYC pathway. Depletion of FBXO28 or overexpression of an F-box mutant unable to support MYC ubiquitylation results in an impairment of MYC-driven transcription, transformation and tumourigenesis. Finally, in human breast cancer, high FBXO28 expression and phosphorylation are strong and independent predictors of poor outcome. In conclusion, our data suggest that SCF(FBXO28) plays an important role in transmitting CDK activity to MYC function during the cell cycle, emphasizing the CDK-FBXO28-MYC axis as a potential molecular drug target in MYC-driven cancers, including breast cancer. © 2013 The Authors. Published by John Wiley and Sons, Ltd on behalf of EMBO.

Protein Kinase R Degradation Is Essential for Rift Valley Fever Virus Infection and Is Regulated by SKP1-CUL1-F-box (SCF)FBXW11-NSs E3 Ligase.

Science.gov (United States)

Mudhasani, Rajini; Tran, Julie P; Retterer, Cary; Kota, Krishna P; Whitehouse, Chris A; Bavari, Sina

2016-02-01

Activated protein kinase R (PKR) plays a vital role in antiviral defense primarily by inhibiting protein synthesis and augmenting interferon responses. Many viral proteins have adopted unique strategies to counteract the deleterious effects of PKR. The NSs (Non-structural s) protein which is encoded by Rift Valley fever virus (RVFV) promotes early PKR proteasomal degradation through a previously undefined mechanism. In this study, we demonstrate that NSs carries out this activity by assembling the SCF (SKP1-CUL1-F-box)(FBXW11) E3 ligase. NSs binds to the F-box protein, FBXW11, via the six amino acid sequence DDGFVE called the degron sequence and recruits PKR through an alternate binding site to the SCF(FBXW11) E3 ligase. We further show that disrupting the assembly of the SCF(FBXW11-NSs) E3 ligase with MLN4924 (a small molecule inhibitor of SCF E3 ligase activity) or NSs degron viral mutants or siRNA knockdown of FBXW11 can block PKR degradation. Surprisingly, under these conditions when PKR degradation was blocked, NSs was essential and sufficient to activate PKR causing potent inhibition of RVFV infection by suppressing viral protein synthesis. These antiviral effects were antagonized by the loss of PKR expression or with a NSs deleted mutant virus. Therefore, early PKR activation by disassembly of SCF(FBXW11-NSs) E3 ligase is sufficient to inhibit RVFV infection. Furthermore, FBXW11 and BTRC are the two homologues of the βTrCP (Beta-transducin repeat containing protein) gene that were previously described to be functionally redundant. However, in RVFV infection, among the two homologues of βTrCP, FBXW11 plays a dominant role in PKR degradation and is the limiting factor in the assembly of the SCF(FBXW11) complex. Thus, FBXW11 serves as a master regulator of RVFV infection by promoting PKR degradation. Overall these findings provide new insights into NSs regulation of PKR activity and offer potential opportunities for therapeutic intervention of RVFV infection.

Electronic structure and related properties of ferrocyanide ion calculated by the SCF Xα-scattered wave method

International Nuclear Information System (INIS)

Guenzburger, D.; Maffeo, B.; Siqueira, M.L. de

1975-08-01

The SCF-XαSW method is used to calculate the electronic structure of the ferrocyanide ion. Optical transitions and X-Ray photoelectron emission are obtained from the energy level scheme and compared with experimental results. The charge density in the Fe nucleus is also computed and the result is correlated with isomer shift measurements made on this and other Fe complexes for which theoretical calculations have been performed

Calculations of chemisorption of hydrogen and nitrogen on titanium using Xα-SW and SCF-CI methods

International Nuclear Information System (INIS)

Hung, S.C.

1983-01-01

Two theoretical studies are used as examples of chemisorption on transition metal surfaces. The first calculation employs the SCF-Sα-SW method to determine the electronic structures of several close-packed Ti-Ti and Ti-H systems. The relative importance of Ti s, p, and electron bonding to its Ti neighbors and to H are reported. The roles of the d electrons in the Ti-Ti and Ti-H bond are discussed. The effect of the presence of an H atom on the first few layers of the metal is also studied. The second set of calculations employs the Hartree-Fock-Roothaan SCF formulation supplemented by configuration-interaction (CI) to determine the energetics of adsorption of an N 2 molecule at a Ti surface. These calculations are made tractable by using a Ti core potential and by a unitary localization transformation to define a local surface region of localized lattice plus adsorbate orbitals. The results show that an underlayer of N atoms forms at the octahedral sites. The calculated adsorption energy of 115 kcal/mole compares favorably with experiment. Binding energy contributions in the several successive steps of the calculations are discussed. Eigenvalue spectra for the selected lattice-adsorbate geometries are compared to the UPS experimental data

SCF MS Xα determination of ionization energies and atomic populations of octaedral TiO6-8 cluster

International Nuclear Information System (INIS)

Michel-Calendini, F.M.; Chermette, H.; Pertosa, P.

1979-02-01

The ionization energies of titanium and oxygen states in BaTiO 3 crystal have been investigated through the self-consistent-field-Xα-scattered-wave (SCF MS Xα) method, with the Slater transition state model, applied to a TiO 6 -8 cluster of octaedral symmetry. Ionization energies and electronic charge distribution are compared to XPS data and related to results obtained from tight-binding band computations

Pseudosubstrate regulation of the SCF(beta-TrCP) ubiquitin ligase by hnRNP-U

DEFF Research Database (Denmark)

Davis, Matti; Hatzubai, Ada; Andersen, Jens S

2002-01-01

in the nucleus. Here we report the isolation of the major E3RS-associated protein, hnRNP-U, an abundant nuclear phosphoprotein. This protein occupies E3RS in a specific and stoichiometric manner, stabilizes the E3 component, and is likely responsible for its nuclear localization. hnRNP-U binding was abolished....... Consequently, hnRNP-U engages a highly neddylated active SCF(beta-TrCP), which dissociates in the presence of a high-affinity substrate, resulting in ubiquitination of the latter. Our study points to a novel regulatory mechanism, which secures the localization, stability, substrate binding threshold...

Recent advances in multireference-based perturbation theory

International Nuclear Information System (INIS)

Nakano, Haruyuki; Hirao, Kimihiko

2003-01-01

Accurate ab initio computational chemistry has evolved dramatically. In particular, the development of multireference-based approaches has opened up a completely new area, and has had a profound impact on the potential of theoretical chemistry. Multireference-based perturbation theory (MRPT) is an extension of the closed-shell single reference Moeller-Plesset method, and has been successfully applied to many chemical and spectroscopic problems. MRPT has established itself as an efficient technique for treating nondynamical and dynamical correlations. Usually, a complete active space self-consistent field (CASSCF) wave function is chosen as a reference function of MRPT. However, CASSCF often generates too many configurations, and the size of the active space can outgrow the capacity of the present technology. Many attempts have been proposed to reduce the dimension of CASSCF and to widen the range of applications of MRPT. This review focuses on our recent development in MRPT

Relação da expressão de fatores de crescimento celular (IGF-1 e (SCF com fatores prognósticos e o alvo da rapamicina em mamíferos (m-TOR em mastocitomas cutâneos caninos IGF-1 and SCF protein expression in cutaneous mast cell tumors in dogs and relation to prognostic factors and mammalian target of rapamycin (m-TOR

Directory of Open Access Journals (Sweden)

Raquel B. Ferioli

2013-04-01

Full Text Available O mastocitoma cutâneo (MTC é a neoplasia maligna mais comum na pele dos cães e seu comportamento biológico é muito variável. Dentre os fatores prognósticos estudados nos MTCs, a classificação histopatológica, o índice proliferativo e o padrão de expressão doc-KIT são os que apresentam uma associação mais relevante com o provável prognóstico deste tumor. O objetivo deste trabalho foi avaliar a expressão proteica de fator de crescimento semelhante à insulina tipo 1 (IGF-1, fator de célula tronco (SCF e sua relação com o receptor tirosina quinase (c-KIT, alvo da rapamicina em mamíferos (m-TOR, grau histológico, índice proliferativo pelo KI-67e o número de figuras de mitose (IM com dados clínicos de cães com MTCs . Foram utilizadas 133 amostras de MTCs, provenientes de 133 cães, dispostas em lâminas de microarranjo de tecidos (TMA. A técnica de imuno-histoquímica foi utilizada para a avaliação destas proteínas. Observou-se associação entre SCF e, a graduação histopatológica proposta em 2011, índice mitótico, proliferação celular (KI-67, escore de IGF-1, local da lesão, idade dos animais e padrão imuno-histoquímico do receptor c-KIT. A relação de dependência também foi observada entre IGF-1 e o porte dos animais, IM, m-TOR e c-KIT. A expressão de SCF teve relacção com a agressividade dos MTCs caninos, uma vez que foi mais freqüente em MTCs com c-KIT citoplasmático. A relação entre a expressão de IGF-1, SCF, c-KIT e m-TOR pode estar associada à integralização de suas vias de ação. A expressão de IGF-1 está associada à MTCs em cães de porte grande.Cutaneous mast cell tumor (MCT is one of the most common neoplasms in the skin of dogs and express variable biological behavior. Among the MTC aspects studied, histological classification, proliferative index and protein expression of c-KIT show the most defined connection with the tumor prognostic. The aim of this study was to evaluate the

Rice black streaked dwarf virus P7-2 forms a SCF complex through binding to Oryza sativa SKP1-like proteins, and interacts with GID2 involved in the gibberellin pathway.

Science.gov (United States)

Tao, Tao; Zhou, Cui-Ji; Wang, Qian; Chen, Xiang-Ru; Sun, Qian; Zhao, Tian-Yu; Ye, Jian-Chun; Wang, Ying; Zhang, Zong-Ying; Zhang, Yong-Liang; Guo, Ze-Jian; Wang, Xian-Bing; Li, Da-Wei; Yu, Jia-Lin; Han, Cheng-Gui

2017-01-01

As a core subunit of the SCF complex that promotes protein degradation through the 26S proteasome, S-phase kinase-associated protein 1 (SKP1) plays important roles in multiple cellular processes in eukaryotes, including gibberellin (GA), jasmonate, ethylene, auxin and light responses. P7-2 encoded by Rice black streaked dwarf virus (RBSDV), a devastating viral pathogen that causes severe symptoms in infected plants, interacts with SKP1 from different plants. However, whether RBSDV P7-2 forms a SCF complex and targets host proteins is poorly understood. In this study, we conducted yeast two-hybrid assays to further explore the interactions between P7-2 and 25 type I Oryza sativa SKP1-like (OSK) proteins, and found that P7-2 interacted with eight OSK members with different binding affinity. Co-immunoprecipitation assay further confirmed the interaction of P7-2 with OSK1, OSK5 and OSK20. It was also shown that P7-2, together with OSK1 and O. sativa Cullin-1, was able to form the SCF complex. Moreover, yeast two-hybrid assays revealed that P7-2 interacted with gibberellin insensitive dwarf2 (GID2) from rice and maize plants, which is essential for regulating the GA signaling pathway. It was further demonstrated that the N-terminal region of P7-2 was necessary for the interaction with GID2. Overall, these results indicated that P7-2 functioned as a component of the SCF complex in rice, and interaction of P7-2 with GID2 implied possible roles of the GA signaling pathway during RBSDV infection.

Rice black streaked dwarf virus P7-2 forms a SCF complex through binding to Oryza sativa SKP1-like proteins, and interacts with GID2 involved in the gibberellin pathway.

Directory of Open Access Journals (Sweden)

Tao Tao

Full Text Available As a core subunit of the SCF complex that promotes protein degradation through the 26S proteasome, S-phase kinase-associated protein 1 (SKP1 plays important roles in multiple cellular processes in eukaryotes, including gibberellin (GA, jasmonate, ethylene, auxin and light responses. P7-2 encoded by Rice black streaked dwarf virus (RBSDV, a devastating viral pathogen that causes severe symptoms in infected plants, interacts with SKP1 from different plants. However, whether RBSDV P7-2 forms a SCF complex and targets host proteins is poorly understood. In this study, we conducted yeast two-hybrid assays to further explore the interactions between P7-2 and 25 type I Oryza sativa SKP1-like (OSK proteins, and found that P7-2 interacted with eight OSK members with different binding affinity. Co-immunoprecipitation assay further confirmed the interaction of P7-2 with OSK1, OSK5 and OSK20. It was also shown that P7-2, together with OSK1 and O. sativa Cullin-1, was able to form the SCF complex. Moreover, yeast two-hybrid assays revealed that P7-2 interacted with gibberellin insensitive dwarf2 (GID2 from rice and maize plants, which is essential for regulating the GA signaling pathway. It was further demonstrated that the N-terminal region of P7-2 was necessary for the interaction with GID2. Overall, these results indicated that P7-2 functioned as a component of the SCF complex in rice, and interaction of P7-2 with GID2 implied possible roles of the GA signaling pathway during RBSDV infection.

CNDO/2-SCF and PCILO (MO) calculations on the 1-butene/NA/and (charge-transfer) complex

Energy Technology Data Exchange (ETDEWEB)

Lochmann, R; Meiler, W

1977-01-01

CNDO/2-SCF and PCILO (MO) calculations on the 1-Butene/Na/sup +/ (charge-transfer) complex involving the olefinic m electrons were made in connection with butene adsorption in zeolites, including the effect of the cation on the conformation of the butene in the zeolite cavity. Calculations were made of rotational energy barriers, preferred cation arrangements with respect to the butene molecule, and charge distributions by both methods. Taking into account systematic errors with the two methods, it is concluded that the PCILO method, which predicts a stabilization of the skew over the cis conformation by the cation, gives closer agreement with experiment. Graph, tables, diagrams, and 19 references.

Ab initio CASSCF study of the electronic structure of the transition-metal alkylidene-like complexes Mo-M[prime]H[sub 2] (M[prime] = C, Si, Ge, and Sn)

Energy Technology Data Exchange (ETDEWEB)

Marquez, A.; Sanz, J.F. (Universidad de Sevilla (Spain))

1992-12-02

Experimental and theoretical research on the electronic and geometric structure of transition-metal-carbenes and -alkylidenes is an active area in chemistry nowadays due to their potential activity in catalysis and in organic and organometallic synthesis. A theoretical investigation of the electronic structure of the high-valent, transition-metal, alkylidene-like complexes MoM[prime]H[sub 2] (M[prime] = C, Si, Ge, and Sn) is reported. Based on ab initio calculations carried out at the complete active space multiconfiguration self-consistent field (CASSCF) level, the molecular structure of the ground state and some low-lying excited states have been determined. For M[prime] = C, Si, and Ge, the ground state has C[sub 2v] symmetry (state [sup 5]B[sub 1]) and corresponds to pairing each electron of the M[prime]H[sub 2] triplet [sup 3]B[sub 1] with an electron of Mo ([sup 7]S). In the case of MoSnH[sub 2], the lowest state is bent (C[sub s] symmetry, state [sup 7]A[prime]), the out-of-plane angle being 68[degrees], and dissociates into SnH[sub 2] ([sup 1]A[sub 1]) + Mo ([sup 7]S). Dissociation energies, potential energy profiles for the dissociation, harmonic force constants in terms of internal symmetry coordinates, and vibrational frequencies are reported. The comparison of these properties with those of their pentacarbonylated homologous (CO)[sub 5]M[double bond]M[prime]H[sub 2] shows that the carbene-like (Fischer) type of complexation is stronger than the alkylidene-like one (Schrock). 28 refs., 4 figs., 6 tabs.

Use of density functional theory orbitals in the GVVPT2 variant of second-order multistate multireference perturbation theory.

Science.gov (United States)

Hoffmann, Mark R; Helgaker, Trygve

2015-03-05

A new variation of the second-order generalized van Vleck perturbation theory (GVVPT2) for molecular electronic structure is suggested. In contrast to the established procedure, in which CASSCF or MCSCF orbitals are first obtained and subsequently used to define a many-electron model (or reference) space, the use of an orbital space obtained from the local density approximation (LDA) variant of density functional theory is considered. Through a final, noniterative diagonalization of an average Fock matrix within orbital subspaces, quasicanonical orbitals that are otherwise indistinguishable from quasicanonical orbitals obtained from a CASSCF or MCSCF calculation are obtained. Consequently, all advantages of the GVVPT2 method are retained, including use of macroconfigurations to define incomplete active spaces and rigorous avoidance of intruder states. The suggested variant is vetted on three well-known model problems: the symmetric stretching of the O-H bonds in water, the dissociation of N2, and the stretching of ground and excited states C2 to more than twice the equilibrium bond length of the ground state. It is observed that the LDA-based GVVPT2 calculations yield good results, of comparable quality to conventional CASSCF-based calculations. This is true even for the C2 model problem, in which the orbital space for each state was defined by the LDA orbitals. These results suggest that GVVPT2 can be applied to much larger problems than previously accessible.

The angular dependence of spin-state energy splittings in the ? core

Science.gov (United States)

Groß, Lynn; Steenbock, Torben; Herrmann, Carmen

2013-07-01

Spin-state energy splittings are highly relevant for catalysis, molecular magnetism, and materials science, yet continue to pose a challenge for electronic structure methods. For a Fe2O2+ 2 core, we evaluate the bridging angle dependence of energy splittings between ferromagnetically and antiferromagnetically coupled states for different exchange-correlation functionals, and compare with complete active space self-consistent field (CASSCF) values, also including second-order perturbative corrections (CASPT2). CASSCF and CASPT2 yield strong antiferromagnetic coupling, with the smallest coupling at 100°, and a smooth dependence on the angle for Fe-O-Fe angles of 70° to 120°. Interestingly, this is qualitatively the same behaviour as often found for stable dinuclear transition metal complexes. While all functionals show the same angular dependence as CASPT2, they favour the antiferromagnetic state less strongly. Pure functionals such as BP86, BLYP, SSB-D, and TPSS come closer to the CASPT2 results (with energy splittings by about 60 kJ/mol smaller than the CASPT2 ones) than hybrid functionals. The hybrid functionals B3LYP, B3LYP⋆, and PBE0 favour the antiferromagnetic state even less strongly, resulting in ferromagnetic coupling for angles around 100°. The good qualitative agreement between CASPT2 and CASSCF on the one hand and CASPT2 and density functional theory on the other hand for angles between 70° and 110° suggests that the chosen active space of 18 electrons in 14 orbitals may be adequate for spin-state energy splitting of Fe2O2+ 2 in that region (possibly due to error cancellation), while angles of 60° or 120° may require larger active spaces. This study is complemented by an analysis of local spins, local charges, and CASSCF natural orbitals.

[4-t-butylphenyl]-N-(4-imidazol-1-yl phenyl)sulfonamide (ISCK03) inhibits SCF/c-kit signaling in 501mel human melanoma cells and abolishes melanin production in mice and brownish guinea pigs.

Science.gov (United States)

Na, Yong Joo; Baek, Heung Su; Ahn, Soo Mi; Shin, Hyun Jung; Chang, Ih-Seop; Hwang, Jae Sung

2007-09-01

It is well known that c-kit is related to pigmentation as well as to the oncology target protein. The objective of this study was to discover a skin-whitening agent that regulates c-kit activity. We have developed a high-throughput screening system using recombinant human c-kit protein. Approximately 10,000 synthetic compounds were screened for their effect on c-kit activity. Phenyl-imidazole sulfonamide derivatives showed inhibitory activity on c-kit phosphorylation in vitro. The effects of one derivative, [4-t-butylphenyl]-N-(4-imidazol-1-yl phenyl)sulfonamide (ISCK03), on stem-cell factor (SCF)/c-kit cellular signaling in 501mel human melanoma cells were examined further. Pretreatment of 501mel cells with ISCK03 inhibited SCF-induced c-kit phosphorylation dose dependently. ISCK03 also inhibited p44/42 ERK mitogen-activated protein kinase (MAPK) phosphorylation, which is known to be involved in SCF/c-kit downstream signaling. However ISCK03 did not inhibit hepatocyte growth factor (HGF)-induced phosphorylation of p44/42 ERK proteins. To determine the in vivo potency of ISCK03, it was orally administered to depilated C57BL/6 mice. Interestingly, oral administration of ISCK03 induced the dose-dependent depigmentation of newly regrown hair, and this was reversed with cessation of ISCK03 treatment. Finally, to investigate whether the inhibitory effect of ISCK03 on SCF/c-kit signaling abolished UV-induced pigmentation, ISCK03 was applied to UV-induced pigmented spots on brownish guinea pig skin. The topical application of ISCK03 promoted the depigmentation of UV-induced hyperpigmented spots. Fontana-Masson staining analysis showed epidermal melanin was diminished in spots treated with ISCK03. These results indicate that phenyl-imidazole sulfonamide derivatives are potent c-kit inhibitors and might be used as skin-whitening agents.

The SCF ubiquitin ligase Slimb controls Nerfin-1 turnover in Drosophila.

Science.gov (United States)

Lin, Xiaohui; Wang, Feng; Li, Yuanpei; Zhai, Chaojun; Wang, Guiping; Zhang, Xiaoting; Gao, Yang; Yi, Tao; Sun, Dan; Wu, Shian

2018-01-01

The C2H2 type zinc-finger transcription factor Nerfin-1 expresses dominantly in Drosophila nervous system and plays an important role in early axon guidance decisions and preventing neurons dedifferentiation. Recently, increasing reports indicated that INSM1 (homologue to nerfin-1 in mammals) is a useful marker for prognosis of neuroendocrine tumors. The dynamic expression of Nerfin-1 is regulated post-transcriptionally by multiple microRNAs; however, its post-translational regulation is still unclear. Here we showed that the protein turnover of Nerfin-1 is regulated by Slimb, the substrate adaptor of SCF Slimb ubiquitin ligase complex. Mechanistically, Slimb associates with Nerfin-1 and promotes it ubiquitination and degradation in Drosophila S2R + cells. Furthermore, we determined that the C-terminal half of Nerfin-1 (Nerfin-1 CT ) is required for its binding to Slimb. Genetic epistasis assays showed that Slimb misexpression antagonizes, while knock-down enhances the activity of Nerfin-1 CT in Drosophila eyes. Our data revealed a new link to understand the underlying mechanism for Nerfin-1 turnover in post-translational level, and provided useful insights in animal development and disease treatment by manipulating the activity of Slimb and Nerfin-1. Copyright © 2017 Elsevier Inc. All rights reserved.

SCF(JFK) is a bona fide E3 ligase for ING4 and a potent promoter of the angiogenesis and metastasis of breast cancer.

Science.gov (United States)

Yan, Ruorong; He, Lin; Li, Zhongwu; Han, Xiao; Liang, Jing; Si, Wenzhe; Chen, Zhe; Li, Lei; Xie, Guojia; Li, Wanjin; Wang, Peiyan; Lei, Liandi; Zhang, Hongquan; Pei, Fei; Cao, Dengfeng; Sun, Luyang; Shang, Yongfeng

2015-03-15

Loss of function/dysregulation of inhibitor of growth 4 (ING4) and hyperactivation of NF-κB are frequent events in many types of human malignancies. However, the molecular mechanisms underlying these remarkable aberrations are not understood. Here, we report that ING4 is physically associated with JFK. We demonstrated that JFK targets ING4 for ubiquitination and degradation through assembly of an Skp1-Cul1-F-box (SCF) complex. We showed that JFK-mediated ING4 destabilization leads to the hyperactivation of the canonical NF-κB pathway and promotes angiogenesis and metastasis of breast cancer. Significantly, the expression of JFK is markedly up-regulated in breast cancer, and the level of JFK is negatively correlated with that of ING4 and positively correlated with an aggressive clinical behavior of breast carcinomas. Our study identified SCF(JFK) as a bona fide E3 ligase for ING4 and unraveled the JFK-ING4-NF-κB axis as an important player in the development and progression of breast cancer, supporting the pursuit of JFK as a potential target for breast cancer intervention. © 2015 Yan et al.; Published by Cold Spring Harbor Laboratory Press.

Investigation of the Semicoa SCF9550 and the International Rectifier IRHM57260SE for Single-Event Gate Rapture and Single-Event Burnout : NASA Electronic Parts and Packaging (NEPP) Program Office of Safety and Mission Assurance

Science.gov (United States)

Scheick, Leif

2011-01-01

Single-event-effect test results for hi-rel total-dose-hardened power MOSFETs are presented in this report. TheSCF9550 from Semicoa and the IRHM57260SE from International Rectifier were tested to NASA test condition/standards and requirements.The IRHM57260SE performed much better when compared to previous testing. These initial results confirm that parts from the Temecula line are marginally comparable to the El Segundo line. The SCF9550 from Semicoa was also tested and represents the initial parts offering from this vendor. Both parts experienced single-event gate rupture (SEGR) and single-event burnout (SEB). All of the SEGR was from gate to drain.

Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach.

Science.gov (United States)

Casanova, David

2012-08-28

The restricted active space spin-flip CI (RASCI-SF) performance is tested in the electronic structure computation of the ground and the lowest electronically excited states in the presence of near-degeneracies. The feasibility of the method is demonstrated by analyzing the avoided crossing between the ionic and neutral singlet states of LiF along the molecular dissociation. The two potential energy surfaces (PESs) are explored by means of the energies of computed adiabatic and approximated diabatic states, dipole moments, and natural orbital electronic occupancies of both states. The RASCI-SF methodology is also used to study the ground and first excited singlet surface crossing involved in the double bond isomerization of ethylene, as a model case. The two-dimensional PESs of the ground (S(0)) and excited (S(1)) states are calculated for the complete configuration space of torsion and pyramidalization molecular distortions. The parameters that define the state energetics in the vicinity of the S(0)/S(1) conical intersection region are compared to complete active space self-consistent field (CASSCF) results. These examples show that it is possible to describe strongly correlated electronic states using a single reference methodology without the need to expand the wavefunction to high levels of collective excitations. Finally, RASCI is also examined in the electronic structure characterization of the ground and 2(1)A(g)(-), 1(1)B(u)(+), 1(1)B(u)(-), and 1(3)B(u)(-) states of all-trans polyenes with two to seven double bonds and beyond. Transition energies are compared to configuration interaction singles, time-dependent density functional theory (TDDFT), CASSCF, and its second-order perturbation correction calculations, and to experimental data. The capability of RASCI-SF to describe the nature and properties of each electronic state is discussed in detail. This example is also used to expose the properties of different truncations of the RASCI wavefunction and to

When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.

Science.gov (United States)

Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed

2017-08-01

Joint refinement of X-ray and polarized neutron diffraction data has been carried out in order to determine charge and spin density distributions simultaneously in the nitronyl nitroxide (NN) free radical Nit(SMe)Ph. For comparison purposes, density functional theory (DFT) and complete active-space self-consistent field (CASSCF) theoretical calculations were also performed. Experimentally derived charge and spin densities show significant differences between the two NO groups of the NN function that are not observed from DFT theoretical calculations. On the contrary, CASSCF calculations exhibit the same fine details as observed in spin-resolved joint refinement and a clear asymmetry between the two NO groups.

SCF Ubiquitin Ligase F-box Protein Fbx15 Controls Nuclear Co-repressor Localization, Stress Response and Virulence of the Human Pathogen Aspergillus fumigatus.

Directory of Open Access Journals (Sweden)

Bastian Jöhnk

2016-09-01

Full Text Available F-box proteins share the F-box domain to connect substrates of E3 SCF ubiquitin RING ligases through the adaptor Skp1/A to Cul1/A scaffolds. F-box protein Fbx15 is part of the general stress response of the human pathogenic mold Aspergillus fumigatus. Oxidative stress induces a transient peak of fbx15 expression, resulting in 3x elevated Fbx15 protein levels. During non-stress conditions Fbx15 is phosphorylated and F-box mediated interaction with SkpA preferentially happens in smaller subpopulations in the cytoplasm. The F-box of Fbx15 is required for an appropriate oxidative stress response, which results in rapid dephosphorylation of Fbx15 and a shift of the cellular interaction with SkpA to the nucleus. Fbx15 binds SsnF/Ssn6 as part of the RcoA/Tup1-SsnF/Ssn6 co-repressor and is required for its correct nuclear localization. Dephosphorylated Fbx15 prevents SsnF/Ssn6 nuclear localization and results in the derepression of gliotoxin gene expression. fbx15 deletion mutants are unable to infect immunocompromised mice in a model for invasive aspergillosis. Fbx15 has a novel dual molecular function by controlling transcriptional repression and being part of SCF E3 ubiquitin ligases, which is essential for stress response, gliotoxin production and virulence in the opportunistic human pathogen A. fumigatus.

Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and {Delta}SCF calculations

Energy Technology Data Exchange (ETDEWEB)

Pinto, R.M., E-mail: ruipinto@fct.unl.pt [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Dias, A.A. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Coreno, M. [CNR-IMIP, Montelibretti, Rome I-00016 (Italy); Simone, M. de [CNR-IOM, Laboratorio TASC, 34149 Trieste (Italy); Giuliano, B.M. [Departamento de Quimica da Universidade de Coimbra, 3004-535 Coimbra (Portugal); Santos, J.P.; Costa, M.L. [CFA, Centro de Fisica Atomica, Departamento de Fisica, Faculdade de Ciencias e Tecnologia, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

2012-03-15

Highlights: Black-Right-Pointing-Pointer High-resolution XPS of 5-aminotetrazole reveals different tautomers. Black-Right-Pointing-Pointer 5ATZ exists mainly in the 2H-form. Black-Right-Pointing-Pointer Results obtained with DSCF are in good agreement with the observed binding energies. - Abstract: The C 1s and N 1s photoelectron spectra of gas-phase 5-aminotetrazole (5ATZ) were recorded using synchrotron radiation, with the aim of evaluating 1H/2H tautomer population ratios. The core-electron binding energies (CEBEs) were estimated from computational results, using the delta self-consistent-field ({Delta}SCF) approach. Simulated spectra were generated using these CEBEs and the results from GAUSSIAN-n (Gn, n = 1, 2 and 3) and Complete Basis Set (CBS-4M and CBS-Q) methods. Results reveal the almost exclusive predominance of the 2H-tautomer, with a 1H/2H ratio of ca. 0.12/0.88, taken from a gross analysis of the XPS C 1s spectrum, recorded at 365 K.

MNF, an ankyrin repeat protein of myxoma virus, is part of a native cellular SCF complex during viral infection

Directory of Open Access Journals (Sweden)

Gelfi Jacqueline

2010-03-01

Full Text Available Abstract Myxoma virus (MYXV, a member of the Poxviridae family, is the agent responsible for myxomatosis, a fatal disease in the European rabbit (Oryctolagus cuniculus. Like all poxviruses, MYXV is known for encoding multiple proteins that regulate cellular signaling pathways. Among them, four proteins share the same ANK/PRANC structure: M148R, M149R, MNF (Myxoma Nuclear factor and M-T5, all of them described as virulence factors. This family of poxvirus proteins, recently identified, has drawn considerable attention for its potential role in modulating the host ubiquitin-proteasome system during viral infection. To date, many members of this novel protein family have been shown to interact with SCF components, in vitro. Here, we focus on MNF gene, which has been shown to express a nuclear protein presenting nine ANK repeats, one of which has been identified as a nuclear localization signal. In transfection, MNF has been shown to colocalise with the transcription factor NF-κB in the nucleus of TNFα-stimulated cells. Functionally, MNF is a critical virulence factor since its deletion generates an almost apathogenic virus. In this study, to pursue the investigation of proteins interacting with MNF and of its mechanism of action, we engineered a recombinant MYXV expressing a GFP-linked MNF under the control of MNF native promoter. Infection of rabbits with MYXV-GFPMNF recombinant virus provided the evidence that the GFP fusion does not disturb the main function of MNF. Hence, cells were infected with MYXV-GFPMNF and immunoprecipitation of the GFPMNF fusion protein was performed to identify MNF's partners. For the first time, endogenous components of SCF (Cullin-1 and Skp1 were co-precipitated with an ANK myxoma virus protein, expressed in an infectious context, and without over-expression of any protein.

MNF, an ankyrin repeat protein of myxoma virus, is part of a native cellular SCF complex during viral infection

Science.gov (United States)

2010-01-01

Myxoma virus (MYXV), a member of the Poxviridae family, is the agent responsible for myxomatosis, a fatal disease in the European rabbit (Oryctolagus cuniculus). Like all poxviruses, MYXV is known for encoding multiple proteins that regulate cellular signaling pathways. Among them, four proteins share the same ANK/PRANC structure: M148R, M149R, MNF (Myxoma Nuclear factor) and M-T5, all of them described as virulence factors. This family of poxvirus proteins, recently identified, has drawn considerable attention for its potential role in modulating the host ubiquitin-proteasome system during viral infection. To date, many members of this novel protein family have been shown to interact with SCF components, in vitro. Here, we focus on MNF gene, which has been shown to express a nuclear protein presenting nine ANK repeats, one of which has been identified as a nuclear localization signal. In transfection, MNF has been shown to colocalise with the transcription factor NF-κB in the nucleus of TNFα-stimulated cells. Functionally, MNF is a critical virulence factor since its deletion generates an almost apathogenic virus. In this study, to pursue the investigation of proteins interacting with MNF and of its mechanism of action, we engineered a recombinant MYXV expressing a GFP-linked MNF under the control of MNF native promoter. Infection of rabbits with MYXV-GFPMNF recombinant virus provided the evidence that the GFP fusion does not disturb the main function of MNF. Hence, cells were infected with MYXV-GFPMNF and immunoprecipitation of the GFPMNF fusion protein was performed to identify MNF's partners. For the first time, endogenous components of SCF (Cullin-1 and Skp1) were co-precipitated with an ANK myxoma virus protein, expressed in an infectious context, and without over-expression of any protein. PMID:20211013

Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.

Science.gov (United States)

Roemelt, Michael; Krewald, Vera; Pantazis, Dimitrios A

2018-01-09

The accurate description of magnetic level energetics in oligonuclear exchange-coupled transition-metal complexes remains a formidable challenge for quantum chemistry. The density matrix renormalization group (DMRG) brings such systems for the first time easily within reach of multireference wave function methods by enabling the use of unprecedentedly large active spaces. But does this guarantee systematic improvement in predictive ability and, if so, under which conditions? We identify operational parameters in the use of DMRG using as a test system an experimentally characterized mixed-valence bis-μ-oxo/μ-acetato Mn(III,IV) dimer, a model for the oxygen-evolving complex of photosystem II. A complete active space of all metal 3d and bridge 2p orbitals proved to be the smallest meaningful starting point; this is readily accessible with DMRG and greatly improves on the unrealistic metal-only configuration interaction or complete active space self-consistent field (CASSCF) values. Orbital optimization is critical for stabilizing the antiferromagnetic state, while a state-averaged approach over all spin states involved is required to avoid artificial deviations from isotropic behavior that are associated with state-specific calculations. Selective inclusion of localized orbital subspaces enables probing the relative contributions of different ligands and distinct superexchange pathways. Overall, however, full-valence DMRG-CASSCF calculations fall short of providing a quantitative description of the exchange coupling owing to insufficient recovery of dynamic correlation. Quantitatively accurate results can be achieved through a DMRG implementation of second order N-electron valence perturbation theory (NEVPT2) in conjunction with a full-valence metal and ligand active space. Perspectives for future applications of DMRG-CASSCF/NEVPT2 to exchange coupling in oligonuclear clusters are discussed.

Prediction of electronically nonadiabatic decomposition mechanisms of isolated gas phase nitrogen-rich energetic salt: Guanidium-triazolate

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Jayanta; Bhattacharya, Atanu, E-mail: atanub@ipc.iisc.ernet.in

2016-01-13

Highlights: • Decomposition mechanisms of model energetic salt, guanidium triazolate, are explored. • Decomposition pathways are electronically nonadiabatic. • CASPT2, CASMP2 and CASSCF methodologies are employed. • N{sub 2} and NH{sub 3} are predicted to be the most possible initial decomposition products. - Abstract: Electronically nonadiabatic decomposition pathways of guanidium triazolate are explored theoretically. Nonadiabatically coupled potential energy surfaces are explored at the complete active space self-consistent field (CASSCF) level of theory. For better estimation of energies complete active space second order perturbation theories (CASPT2 and CASMP2) are also employed. Density functional theory (DFT) with B3LYP functional and MP2 level of theory are used to explore subsequent ground state decomposition pathways. In comparison with all possible stable decomposition products (such as, N{sub 2}, NH{sub 3}, HNC, HCN, NH{sub 2}CN and CH{sub 3}NC), only NH{sub 3} (with NH{sub 2}CN) and N{sub 2} are predicted to be energetically most accessible initial decomposition products. Furthermore, different conical intersections between the S{sub 1} and S{sub 0} surfaces, which are computed at the CASSCF(14,10)/6-31G(d) level of theory, are found to play an essential role in the excited state deactivation process of guanidium triazolate. This is the first report on the electronically nonadiabatic decomposition mechanisms of isolated guanidium triazolate salt.

Ring opening of 2-aza-3-borabicyclo[2.2.0]hex-5-ene, the Dewar form of 1,2-dihydro-1,2-azaborine: stepwise versus concerted mechanisms

Directory of Open Access Journals (Sweden)

Holger F. Bettinger

2013-04-01

Full Text Available The ring opening of the Dewar form of 1,2-dihydro-1,2-azaborine, 2-aza-3-borabicyclo[2.2.0]hex-5-ene (3 is investigated by theoretical methods by using multiconfiguration SCF (CASSCF and coupled cluster theory [CCSD(T] with basis sets up to polarised quadruple-zeta quality. The title compound was previously reported to form photochemically in cryogenic noble gas matrices from 1,2-dihydro-1,2-azaborine (4. Four reaction paths for the thermal ring opening of 3 to 4 could be identified. These are the conventional disrotatory and conrotatory electrocyclic ring-opening pathways where the BN unit is only a bystander. Two more favourable paths are stepwise and involve 1,3-boron–carbon interactions. The lowest energy barrier for the isomerisation reaction, 22 kcal mol−1, should be high enough for an experimental observation in solution. However, in solution the dimerisation of 3 is computed to have a very low barrier (3 kcal mol−1, and thus 3 is expected to be a short-lived reactive intermediate.

Communication: A difference density picture for the self-consistent field ansatz

Energy Technology Data Exchange (ETDEWEB)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J., E-mail: toddjmartinez@gmail.com [Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

2016-04-07

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this “difference self-consistent field (dSCF)” picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TERACHEM SCF implementation.

Communication: A difference density picture for the self-consistent field ansatz

International Nuclear Information System (INIS)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

2016-01-01

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this “difference self-consistent field (dSCF)” picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TERACHEM SCF implementation.

Communication: A difference density picture for the self-consistent field ansatz

Science.gov (United States)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

2016-04-01

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

Quantum Chemical Studies of Actinides and Lanthanides: From Small Molecules to Nanoclusters

Science.gov (United States)

Vlaisavljevich, Bess

Research into actinides is of high interest because of their potential applications as an energy source and for the environmental implications therein. Global concern has arisen since the development of the actinide concept in the 1940s led to the industrial scale use of the commercial nuclear energy cycle and nuclear weapons production. Large quantities of waste have been generated from these processes inspiring efforts to address fundamental questions in actinide science. In this regard, the objective of this work is to use theory to provide insight and predictions into actinide chemistry, where experimental work is extremely challenging because of the intrinsic difficulties of the experiments themselves and the safety issues associated with this type of chemistry. This thesis is a collection of theoretical studies of actinide chemistry falling into three categories: quantum chemical and matrix isolation studies of small molecules, the electronic structure of organoactinide systems, and uranyl peroxide nanoclusters and other solid state actinide compounds. The work herein not only spans a wide range of systems size but also investigates a range of chemical problems. Various quantum chemical approaches have been employed. Wave function-based methods have been used to study the electronic structure of actinide containing molecules of small to middle-size. Among these methods, the complete active space self consistent field (CASSCF) approach with corrections from second-order perturbation theory (CASPT2), the generalized active space SCF (GASSCF) approach, and Moller-Plesset second-order perturbation theory (MP2) have been employed. Likewise, density functional theory (DFT) has been used along with analysis tools like bond energy decomposition, bond orders, and Bader's Atoms in Molecules. From these quantum chemical results, comparison with experimentally obtained structures and spectra are made.

Is the bipyridyl thorium metallocene a low-valent thorium complex? A combined experimental and computational study

Energy Technology Data Exchange (ETDEWEB)

Ren, Wenshan; Lukens, Wayne W.; Zi, Guofu; Maron, Laurent; Walter, Marc D.

2012-01-12

Bipyridyl thorium metallocenes [5-1,2,4-(Me3C)3C5H2]2Th(bipy) (1) and [5-1,3-(Me3C)2C5H3]2Th(bipy) (2) have been investigated by magnetic susceptibility and computational studies. The magnetic susceptibility data reveal that 1 and 2 are not diamagnetic, but they behave as temperature independent paramagnets (TIPs). To rationalize this observation, density functional theory (DFT) and complete active space SCF (CASSCF) calculations have been undertaken, which indicated that Cp2Th(bipy) has indeed a Th(IV)(bipy2-) ground state (f0d0 2, S = 0), but the open-shell singlet (f0d1 1, S = 0) (almost degenerate with its triplet congener) is lying only 9.2 kcal/mol higher in energy. Complexes 1 and 2 react cleanly with Ph2CS to give [ 5-1,2,4-(Me3C)3C5H2]2Th[(bipy)(SCPh2)] (3) and [ 5-1,3-(Me3C)2C5H3]2Th[(bipy)(SCPh2)] (4), respectively, in quantitative conversions. Since no intermediates were observed experimentally, this reaction was also studied computationally. Coordination of Ph2CS to 2 in its S = 0 ground state is not possible, but Ph2CS can coordinate to 2 in its triplet state (S = 1) upon which a single electron transfer (SET) from the (bipy2-) fragment to Ph2CS followed by C-C coupling takes place.

All 17 S-locus F-box proteins of the S2 - and S3 -haplotypes of Petunia inflata are assembled into similar SCF complexes with a specific function in self-incompatibility.

Science.gov (United States)

Li, Shu; Williams, Justin S; Sun, Penglin; Kao, Teh-Hui

2016-09-01

The collaborative non-self-recognition model for S-RNase-based self-incompatibility predicts that multiple S-locus F-box proteins (SLFs) produced by pollen of a given S-haplotype collectively mediate ubiquitination and degradation of all non-self S-RNases, but not self S-RNases, in the pollen tube, thereby resulting in cross-compatible pollination but self-incompatible pollination. We had previously used pollen extracts containing GFP-fused S2 -SLF1 (SLF1 with an S2 -haplotype) of Petunia inflata for co-immunoprecipitation (Co-IP) and mass spectrometry (MS), and identified PiCUL1-P (a pollen-specific Cullin1), PiSSK1 (a pollen-specific Skp1-like protein) and PiRBX1 (a conventional Rbx1) as components of the SCF(S) (2-) (SLF) (1) complex. Using pollen extracts containing PiSSK1:FLAG:GFP for Co-IP/MS, we identified two additional SLFs (SLF4 and SLF13) that were assembled into SCF(SLF) complexes. As 17 SLF genes (SLF1 to SLF17) have been identified in S2 and S3 pollen, here we examined whether all 17 SLFs are assembled into similar complexes and, if so, whether these complexes are unique to SLFs. We modified the previous Co-IP/MS procedure, including the addition of style extracts from four different S-genotypes to pollen extracts containing PiSSK1:FLAG:GFP, to perform four separate experiments. The results taken together show that all 17 SLFs and an SLF-like protein, SLFLike1 (encoded by an S-locus-linked gene), co-immunoprecipitated with PiSSK1:FLAG:GFP. Moreover, of the 179 other F-box proteins predicted by S2 and S3 pollen transcriptomes, only a pair with 94.9% identity and another pair with 99.7% identity co-immunoprecipitated with PiSSK1:FLAG:GFP. These results suggest that SCF(SLF) complexes have evolved specifically to function in self-incompatibility. © 2016 The Authors The Plant Journal © 2016 John Wiley & Sons Ltd.

Pulse radiolysis and ab initio SCF MO studies of hydroxyl radical reactions with 2,2'-bipyridine and its complexes with transition metal ions

Energy Technology Data Exchange (ETDEWEB)

Maliyachel, A C

1984-01-01

In the present study, reactions of hydroxyl radical with 2,2'-bipyridine (bpy) and complexes of iron(II) and cobalt(III) containing 2,2'-bipyridine and/or cyanide as ligands have been investigated by pulse radiolysis and also by ab initio self-consistent field, molecular orbital (SCF MO) theoretical techniques for 2,2'-bipyridine and pyridines. In the pulse radiolysis experiments, the nascent products of hydroxyl radical reactions with these compounds have been characterized through their spectral and kinetic properties. All these reactions occur at near diffusion controlled rates to give transient products having absorption in the ultraviolet, visible and, in some cases, near-IR region. The primary reactions of OH are considered to take place by addition mechanisms in the cases of 2,2'-bipyridine, (Fe(bpy)/sub 3/)/sup 2 +/, (Fe(DMbpy)/sub 3/)/sup 2 +/ and (Co(bpy)/sub 3/)/sup 3 +/. With (Fe(pby)/sub 2/(CN)/sub 2/) and (Fe(bpy)(CN)/sub 4/)/sup 2 -/, both addition and charge transfer processes occur. The present study indicates that hydroxyl radical reactions with 2,2'-bipyridine can be considerably altered by complexation with metal ions such as iron(II) and cobalt(III), and the factors associated with this are discussed. In the second part of this work, ab initio SCF MO calculations have been performed for the reactions of OH with pyridine, pyridinium ion and 2,2'-bipyridine. Based on the calculated total energies for the various hydroxy radical products, the relative stability of OH addition products are found to be for pyridine, meta-C > N >> para-C > ortho-C; for pyridinium ion, meta-C >> para-C > ortho-C > N, and for 2,2'- bipyridine, C/sub 5/ > C/sub 6/ > C/sub 3/ > C/sub 4/ > N.

Bonding and structure of copper nitrenes.

Science.gov (United States)

Cundari, Thomas R; Dinescu, Adriana; Kazi, Abul B

2008-11-03

Copper nitrenes are of interest as intermediates in the catalytic aziridination of olefins and the amination of C-H bonds. However, despite advances in the isolation and study of late-transition-metal multiply bonded complexes, a bona fide structurally characterized example of a terminal copper nitrene has, to our knowledge, not been reported. In anticipation of such a report, terminal copper nitrenes are studied from a computational perspective. The nitrene complexes studied here are of the form (beta-diketiminate)Cu(NPh). Density functional theory (DFT), complete active space self-consistent-field (CASSCF) electronic structure techniques, and hybrid quantum mechanical/molecular mechanical (QM/MM) methods are employed to study such species. While DFT methods indicate that a triplet (S = 1) is the ground state, CASSCF calculations indicate that a singlet (S = 0) is the ground state, with only a small energy gap between the singlet and triplet. Moreover, the ground-state (open-shell) singlet copper nitrene is found to be highly multiconfigurational (i.e., biradical) and to possess a bent geometry about the nitrene nitrogen, contrasting with the linear nitrene geometry of the triplet copper nitrenes. CASSCF calculations also reveal the existence of a closed-shell singlet state with some degree of multiple bonding character for the copper-nitrene bond.

Phase stability and oxygen non-stoichiometry of SrCo0.8Fe0.2O3-d measured by in-situ neutron diffraction

NARCIS (Netherlands)

McIntosh, Steven; McIntosh, S.; Vente, Jaap F.; Haije, Wim G.; Blank, David H.A.; Bouwmeester, Henricus J.M.

2006-01-01

The phase stability, oxygen stoichiometry and expansion properties of SrCo0.8Fe0.2O3−δ (SCF) were determined by in situ neutron diffraction between 873 and 1173 K and oxygen partial pressures of 5×10−4 to 1 atm. At a pO2 of 1 atm, SCF adopts a cubic perovskite structure, space group Pm3¯m, across

The Role of Anisotropic Exchange in Single Molecule Magnets: A CASSCF/NEVPT2 Study of the Fe4 SMM Building Block [Fe2(OCH32(dbm4] Dimer

Directory of Open Access Journals (Sweden)

Alessandro Lunghi

2016-09-01

Full Text Available The rationalisation of single molecule magnets’ (SMMs magnetic properties by quantum mechanical approaches represents a major task in the field of the Molecular Magnetism. The fundamental interpretative key of molecular magnetism is the phenomenological Spin Hamiltonian and the understanding of the role of its different terms by electronic structure calculations is expected to steer the rational design of new and more performing SMMs. This paper deals with the ab initio calculation of isotropic and anisotropic exchange contributions in the Fe(III dimer [Fe 2 (OCH 3 2 (dbm 4 ]. This system represents the building block of one of the most studied Single Molecule Magnets ([Fe 4 RC(CH 2 O 3 2 (dpm 6 ] where R can be an aliphatic chain or a phenyl group just to name the most common functionalization groups and its relatively reduced size allows the use of a high computational level of theory. Calculations were performed using CASSCF and NEVPT2 approaches on the X-ray geometry as assessment of the computational protocol, which has then be used to evinced the importance of the outer coordination shell nature through organic ligand modelization. Magneto-structural correlations as function of internal degrees of freedom for isotropic and anisotropic exchange contributions are also presented, outlining, for the first time, the extremely rapidly changing nature of the anisotropic exchange coupling.

Relação da expressão de fatores de crescimento celular (IGF-1 e (SCF com fatores prognósticos e o alvo da rapamicina em mamíferos (m-TOR em mastocitomas cutâneos caninos

Directory of Open Access Journals (Sweden)

Raquel B. Ferioli

2013-04-01

Full Text Available O mastocitoma cutâneo (MTC é a neoplasia maligna mais comum na pele dos cães e seu comportamento biológico é muito variável. Dentre os fatores prognósticos estudados nos MTCs, a classificação histopatológica, o índice proliferativo e o padrão de expressão doc-KIT são os que apresentam uma associação mais relevante com o provável prognóstico deste tumor. O objetivo deste trabalho foi avaliar a expressão proteica de fator de crescimento semelhante à insulina tipo 1 (IGF-1, fator de célula tronco (SCF e sua relação com o receptor tirosina quinase (c-KIT, alvo da rapamicina em mamíferos (m-TOR, grau histológico, índice proliferativo pelo KI-67e o número de figuras de mitose (IM com dados clínicos de cães com MTCs . Foram utilizadas 133 amostras de MTCs, provenientes de 133 cães, dispostas em lâminas de microarranjo de tecidos (TMA. A técnica de imuno-histoquímica foi utilizada para a avaliação destas proteínas. Observou-se associação entre SCF e, a graduação histopatológica proposta em 2011, índice mitótico, proliferação celular (KI-67, escore de IGF-1, local da lesão, idade dos animais e padrão imuno-histoquímico do receptor c-KIT. A relação de dependência também foi observada entre IGF-1 e o porte dos animais, IM, m-TOR e c-KIT. A expressão de SCF teve relacção com a agressividade dos MTCs caninos, uma vez que foi mais freqüente em MTCs com c-KIT citoplasmático. A relação entre a expressão de IGF-1, SCF, c-KIT e m-TOR pode estar associada à integralização de suas vias de ação. A expressão de IGF-1 está associada à MTCs em cães de porte grande.

Activation of cellular immunity and marked inhibition of liver cancer in a mouse model following gene therapy and tumor expression of GM-SCF, IL-21, and Rae-1.

Science.gov (United States)

Cheng, Mingrong; Zhi, Kangkang; Gao, Xiaoyan; He, Bing; Li, Yingchun; Han, Jiang; Zhang, Zhiping; Wu, Yan

2013-12-18

Cancer is both a systemic and a genetic disease. The pathogenesis of cancer might be related to dampened immunity. Host immunity recognizes nascent malignant cells - a process referred to as immune surveillance. Augmenting immune surveillance and suppressing immune escape are crucial in tumor immunotherapy. A recombinant plasmid capable of co-expressing granulocyte-macrophage colony- stimulating factor (GM-SCF), interleukin-21 (IL-21), and retinoic acid early transcription factor-1 (Rae-1) was constructed, and its effects determined in a mouse model of subcutaneous liver cancer. Serum specimens were assayed for IL-2 and INF-γ by ELISA. Liver cancer specimens were isolated for Rae-1 expression by RT-PCR and Western blot, and splenocytes were analyzed by flow cytometry. The recombinant plasmid inhibited the growth of liver cancer and prolonged survival of tumor-loaded mice. Activation of host immunity might have contributed to this effect by promoting increased numbers and cytotoxicity of natural killer (NK) cells and cytotoxic T lymphocytes (CTL) following expression of GM-SCF, IL-21, and Rae-1. By contrast, the frequency of regulatory T cells was decreased, Consequently, activated CTL and NK cells enhanced their secretion of INF-γ, which promoted cytotoxicity of NK cells and CTL. Moreover, active CTL showed dramatic secretion of IL-2, which stimulates CTL. The recombinant expression plasmid also augmented Rae-1 expression by liver cancer cells. Rae-1 receptor expressing CTL and NK cells removed liver cancer. The recombinant expression plasmid inhibited liver cancer by a mechanism that involved activation of cell-mediated immunity and Rae-1 in liver cancer.

Genealogical electronic coupling procedure incorporating the Hartree--Fock interacting space and suitable for degenerate point groups. Application to excited states of BH3

International Nuclear Information System (INIS)

Swope, W.C.; Schaefer, H.F. III; Yarkony, D.R.

1980-01-01

The use of Clebsch--Gordan-type coupling coefficients for finite point groups is applied to the problem of constructing symmetrized N-electron wave functions (configurations) for use by the Hartree--Fock SCF and CI methods of determining electronic wave functions for molecular systems. The configurations are eigenfunctions of electronic spin operators, and transform according to a particular irreducible representation of the relevant group of spatial operations which leave the Born--Oppenheimer Hamiltonian invariant. The method proposed for constructing the configurations involves a genealogical coupling procedure. It is particularly useful for studies of molecules which belong to a group which has multiply degenerate irreducible representations. The advantage of the method is that it results in configurations which are real linear combinations of determinants of real symmetry orbitals. This procedure for constructing configurations also allows for the identification of configurations which have no matrix element of the Hamiltonian with a reference configuration. It is therefore possible to construct a Hartree--Fock interacting space of configurations which can speed the convergence of a CI wave function. The coupling method is applied to a study of the ground and two excited electronic states of BH 3 in its D/sub 3h/ geometry. The theoretical approach involved Hartree--Fock SCF calculations followed by single and double substitution CI calculations, both of which employed double-zeta plus polarization quality basis sets

Assigning the Cerium Oxidation State for CH2CeF2 and OCeF2 Based on Multireference Wave Function Analysis.

Science.gov (United States)

Mooßen, Oliver; Dolg, Michael

2016-06-09

The geometric and electronic structure of the recently experimentally studied molecules ZCeF2 (Z = CH2, O) was investigated by density functional theory (DFT) and wave function-based ab initio methods. Special attention was paid to the Ce-Z metal-ligand bonding, especially to the nature of the interaction between the Ce 4f and the Z 2p orbitals and the possible multiconfigurational character arising from it, as well as to the assignment of an oxidation state of Ce reflecting the electronic structure. Complete active space self-consistent field (CASSCF) calculations were performed, followed by orbital rotations in the active orbital space. The methylene compound CH2CeF2 has an open-shell singlet ground state, which is characterized by a two-configurational wave function in the basis of the strongly mixed natural CASSCF orbitals. The system can also be described in a very compact way by the dominant Ce 4f(1) C 2p(1) configuration, if nearly pure Ce 4f and C 2p orbitals are used. In the basis of these localized orbitals, the molecule is almost monoconfigurational and should be best described as a Ce(III) system. The singlet ground state of the oxygen OCeF2 complex is of closed-shell character when a monoconfigurational wave function with very strongly mixed Ce 4f and O 2p CASSCF natural orbitals is used for the description. The transformation to orbitals localized on the cerium and oxygen atoms leads to a multiconfigurational wave function and reveals characteristics of a mixed valent Ce(IV)/Ce(III) compound. Additionally, the interactions of the localized active orbitals were analyzed by evaluating the expectation values of the charge fluctuation operator and the local spin operator. The Ce 4f and C 2p orbital interaction of the CH2CeF2 compound is weakly covalent and resembles the interaction of the H 1s orbitals in a stretched hydrogen dimer. In contrast, the interaction of the localized active orbitals for OCeF2 shows ionic character. Calculated vibrational Ce

Electron correlation effects on the d-d excitations in NiO

NARCIS (Netherlands)

de Graaf, C; Broer, R.; Nieuwpoort, WC

1996-01-01

The partly filled 3d shell in solid transition metal compounds is quite localized on the transition metal ion and gives rise to large electron correlation effects. With the recently developed CASSCF/CASPT2 approach electron correlation effects can be accounted for efficiently. The CASSCF step

MOONLIGHT: A NEW LUNAR LASER RANGING RETROREFLECTOR INSTRUMENT

Directory of Open Access Journals (Sweden)

M. Garattini

2013-12-01

Full Text Available Since 1969 Lunar Laser Ranging (LLR to the Apollo Cube Corner Reflector (CCR arrays has supplied several significant tests of gravity: Geodetic Precession, the Strong and Weak Equivalence Principle (SEP, WEP, the Parametrized Post Newtonian (PPN parameter , the time change of the Gravitational constant (G, 1/r2 deviations and new gravitational theories beyond General Relativity (GR, like the unified braneworld theory (G. Dvali et al., 2003. Now a new generation of LLR can do better using evolved laser retroreflectors, developed from tight collaboration between my institution, INFN–LNF (Istituto Nazionale di Fisica Nucleare – Laboratori Nazionali di Frascati, and Douglas Currie (University of Maryland, USA, one of the fathers of LLR. The new lunar CCR is developing and characterizing at the “Satellite/Lunar laser ranging Characterization Facility” (SCF, in Frascati, performing our new industry standard space test procedure, the “SCF-Test”; this work contains the experimental results of the SCF-Test applied to the new lunar CCR, and all the new payload developments, including the future SCF tests. The International Lunar Network (ILN research project considers our new retroreflector as one of the possible “Core Instruments”

Identification of SFBB-containing canonical and noncanonical SCF complexes in pollen of apple (Malus × domestica).

Science.gov (United States)

Minamikawa, Mai F; Koyano, Ruriko; Kikuchi, Shinji; Koba, Takato; Sassa, Hidenori

2014-01-01

Gametophytic self-incompatibility (GSI) of Rosaceae, Solanaceae and Plantaginaceae is controlled by a single polymorphic S locus. The S locus contains at least two genes, S-RNase and F-box protein encoding gene SLF/SFB/SFBB that control pistil and pollen specificity, respectively. Generally, the F-box protein forms an E3 ligase complex, SCF complex with Skp1, Cullin1 (CUL1) and Rbx1, however, in Petunia inflata, SBP1 (S-RNase binding protein1) was reported to play the role of Skp1 and Rbx1, and form an SCFSLF-like complex for ubiquitination of non-self S-RNases. On the other hand, in Petunia hybrida and Petunia inflata of Solanaceae, Prunus avium and Pyrus bretschneideri of Rosaceae, SSK1 (SLF-interacting Skp1-like protein1) is considered to form the SCFSLF/SFB complex. Here, we isolated pollen-expressed apple homologs of SSK1 and CUL1, and named MdSSK1, MdCUL1A and MdCUL1B. MdSSK1 was preferentially expressed in pollen, but weakly in other organs analyzed, while, MdCUL1A and MdCUL1B were almost equally expressed in all the organs analyzed. MdSSK1 transcript abundance was significantly (>100 times) higher than that of MdSBP1. In vitro binding assays showed that MdSSK1 and MdSBP1 interacted with MdSFBB1-S9 and MdCUL1, and MdSFBB1-S9 interacted more strongly with MdSSK1 than with MdSBP1. The results suggest that both MdSSK1-containing SCFSFBB1 and MdSBP1-containing SCFSFBB1-like complexes function in pollen of apple, and the former plays a major role.

Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation

Energy Technology Data Exchange (ETDEWEB)

Booth, Corwin H.; Walter, Marc D.; Kazhdan, Daniel; Hu, Yung-Jin; Lukens, Wayne W.; Bauer, Eric D.; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.

2009-04-22

Partial ytterbium f-orbital occupancy (i.e., intermediate valence) and open-shell singlet formation are established for a variety of bipyridine and diazabutadiene adducts with decamethylytterbocene, (C5Me5)2Yb, abbreviated as Cp*2Yb. Data used to support this claim include ytterbium valence measurements using Yb LIII-edge X-ray absorption near-edge structure spectroscopy, magnetic susceptibility, and complete active space self-consistent field (CASSCF) multiconfigurational calculations, as well as structural measurements compared to density functional theory calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground-state wave function that has both an open-shell singlet f13(?*)1, where pi* is the lowest unoccupied molecular orbital of the bipyridine or dpiazabutadiene ligands, and a closed-shell singlet f14 component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the lack of temperature dependence of the measured intermediate valence. These results have implications for understanding chemical bonding not only in organolanthanide complexes but also for f-element chemistry in general, as well as understanding magnetic interactions in nanoparticles and devices.

Decamethylytterbocene complexes of bipyridines and diazabutadines: multiconfigurational ground states and open-shell singlet formation

Energy Technology Data Exchange (ETDEWEB)

Bauer, Eric D [Los Alamos National Laboratory; Booth, C H [LBNL; Walter, M D [LBNL; Kazhdan, D [LBNL; Hu, Y - J [LBNL; Lukens, Wayne [LBNL; Maron, Laurent [INSA TOULOUSE; Eisentein, Odile [UNIV MONTPELLIER 2; Anderson, Richard [LBNL

2009-01-01

Partial ytterbium f-orbital occupancy (i.e. intermediate valence) and open-shell singlet Draft 12/formation are established for a variety of bipyridine and diazabutadiene adducts to decamethylytterbocene, (C{sub 5}Me{sub 5}){sub 2}Yb or Cp*{sub 2}Yb. Data used to support this claim includes ytterbium valence measurements using Yb Lm-edge x-ray absorption near-edge structure (XANES) spectroscopy, magnetic susceptibility and Complete Active Space Self-Consistent Field (CASSCF) multi configurational calculations, as well as structural measurements compared to density-functional theory (DFT) calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground state wave function that has both an open-shell singlet f{sup 13} and a closed-shell singlet f{sup 14} component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the presence of intermediate valence and its lack of any significant temperature dependence. These results have implications for understanding chemical bonding not only in organolanthanide complexes, but also for organometallic chemistry in general, as well as understanding magnetic interactions in nanopartic1es and devices.

Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program

Science.gov (United States)

Angeli, C.; Cimiraglia, R.

2013-02-01

A symbolic program performing the Formal Reduction of Density Operators (FRODO), formerly developed in the MuPAD computer algebra system with the purpose of evaluating the matrix elements of the electronic Hamiltonian between internally contracted functions in a complete active space (CAS) scheme, has been rewritten in Mathematica. New version : A program summaryProgram title: FRODO Catalogue identifier: ADV Y _v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVY_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3878 No. of bytes in distributed program, including test data, etc.: 170729 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which the Mathematica computer algebra system can be installed Operating system: Linux Classification: 5 Catalogue identifier of previous version: ADV Y _v1_0 Journal reference of previous version: Comput. Phys. Comm. 171(2005)63 Does the new version supersede the previous version?: No Nature of problem. In order to improve on the CAS-SCF wavefunction one can resort to multireference perturbation theory or configuration interaction based on internally contracted functions (ICFs) which are obtained by application of the excitation operators to the reference CAS-SCF wavefunction. The previous formulation of such matrix elements in the MuPAD computer algebra system, has been rewritten using Mathematica. Solution method: The method adopted consists in successively eliminating all occurrences of inactive orbital indices (core and virtual) from the products of excitation operators which appear in the definition of the ICFs and in the electronic Hamiltonian expressed in the second quantization formalism. Reasons for new version: Some years ago we published in this journal a couple of papers [1, 2

Local time distribution of the SSC-associated HF-Doppler frequency shifts

International Nuclear Information System (INIS)

Kikuchi, T.; Sugiuchi, H.; Ishimine, T.

1985-01-01

The HF-Doppler frequency shift observed at the storm's sudden commencement is composed of a frequency increase (+) and decrease (-), and classified into four types, SCF(+ -), SCF(- +), SCF(+) and SCF(-). Since the latter two types are special cases of the former two types, two different kinds of electrical field exist in the F region and cause the ExB drift motion of plasma. HUANG (1976) interpreted the frequency increase of SCF(+ -) as due to the westward induction electric field proportional to delta H/ delta t and the succeeding frequency decrease due to the eastward conduction electric field which produces ionospheric currents responsible for the magnetic increase on the ground. In spite of his success in interpreting the SCF(+ -), some other interpretations are needed for the explanation of the whole set of SCF's, particularly SCF(- +). Local time distributions of the SCF's are derived from 41 SCF's which are observed on the HF standard signal (JJY) as received in Okinawa (path length =1600 km) and Kokubunji (60 km). It is shown that the SCF(+ -) appears mainly during the day, whereas the SCF(- +) is observed during the night. The results indicate that the preliminary frequency shift (+) of SCF(+ -) and (-) of SCF(- +) is caused by a westward electric field in the dayside hemisphere, while by an eastward electric field in the nightside hemisphere. The main frequency shift (-) of SCF(+ -) and (+) of SCF(- +) is caused by the reversed electric field. Consequently, the preliminary frequency shift is caused by the dusk-to-dawn electric field, while the main frequency shift by the dawn-to-dusk electric field

Local time distribution of the SSC-associated HF-Doppler frequency shifts

Science.gov (United States)

Kikuchi, T.; Sugiuchi, H.; Ishimine, T.

1985-01-01

The HF-Doppler frequency shift observed at the storm's sudden commencement is composed of a frequency increase (+) and decrease (-), and classified into four types, SCF(+ -), SCF(- +), SCF(+) and SCF(-). Since the latter two types are special cases of the former two types, two different kinds of electrical field exist in the F region and cause the ExB drift motion of plasma. HUANG (1976) interpreted the frequency increase of SCF(+ -) as due to the westward induction electric field proportional to delta H/ delta t and the succeeding frequency decrease due to the eastward conduction electric field which produces ionospheric currents responsible for the magnetic increase on the ground. In spite of his success in interpreting the SCF(+ -), some other interpretations are needed for the explanation of the whole set of SCF's, particularly SCF(- +). Local time distributions of the SCF's are derived from 41 SCF's which are observed on the HF standard signal (JJY) as received in Okinawa (path length =1600 km) and Kokubunji (60 km). It is shown that the SCF(+ -) appears mainly during the day, whereas the SCF(- +) is observed during the night. The results indicate that the preliminary frequency shift (+) of SCF(+ -) and (-) of SCF(- +) is caused by a westward electric field in the dayside hemisphere, while by an eastward electric field in the nightside hemisphere. The main frequency shift (-) of SCF(+ -) and (+) of SCF(- +) is caused by the reversed electric field. Consequently, the preliminary frequency shift is caused by the dusk-to-dawn electric field, while the main frequency shift by the dawn-to-dusk electric field.

Assessment of oscillator strengths with multiconfigurational short-range density functional theory for electronic excitations in organic molecules

DEFF Research Database (Denmark)

Hedegård, Erik Donovan

2017-01-01

considered the large collection of organic molecules whose excited states were investigated with a range of electronic structure methods by Thiel et al. As a by-product of our calculations of oscillator strengths, we also obtain electronic excitation energies, which enable us to compare the performance......We have in a series of recent papers investigated electronic excited states with a hybrid between a complete active space self-consistent field (CASSCF) wave function and density functional theory (DFT). This method has been dubbed the CAS short-range DFT method (CAS–srDFT). The previous papers...

Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods.

Science.gov (United States)

Gozem, Samer; Melaccio, Federico; Lindh, Roland; Krylov, Anna I; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

2013-10-08

The photoisomerization of the retinal chromophore of visual pigments proceeds along a complex reaction coordinate on a multidimensional surface that comprises a hydrogen-out-of-plane (HOOP) coordinate, a bond length alternation (BLA) coordinate, a single bond torsion and, finally, the reactive double bond torsion. These degrees of freedom are coupled with changes in the electronic structure of the chromophore and, therefore, the computational investigation of the photochemistry of such systems requires the use of a methodology capable of describing electronic structure changes along all those coordinates. Here, we employ the penta-2,4-dieniminium (PSB3) cation as a minimal model of the retinal chromophore of visual pigments and compare its excited state isomerization paths at the CASSCF and CASPT2 levels of theory. These paths connect the cis isomer and the trans isomer of PSB3 with two structurally and energetically distinct conical intersections (CIs) that belong to the same intersection space. MRCISD+Q energy profiles along these paths provide benchmark values against which other ab initio methods are validated. Accordingly, we compare the energy profiles of MRPT2 methods (CASPT2, QD-NEVPT2, and XMCQDPT2) and EOM-SF-CC methods (EOM-SF-CCSD and EOM-SF-CCSD(dT)) to the MRCISD+Q reference profiles. We find that the paths produced with CASSCF and CASPT2 are topologically and energetically different, partially due to the existence of a "locally excited" region on the CASPT2 excited state near the Franck-Condon point that is absent in CASSCF and that involves a single bond, rather than double bond, torsion. We also find that MRPT2 methods as well as EOM-SF-CCSD(dT) are capable of quantitatively describing the processes involved in the photoisomerization of systems like PSB3.

searchSCF: Using MongoDB to Enable Richer Searches of Locally Hosted Science Data Repositories

Science.gov (United States)

Knosp, B.

2016-12-01

Science teams today are in the unusual position of almost having too much data available to them. Modern sensors and models are capable of outputting terabytes of data per day, which can make it difficult to find specific subsets of data. The sheer size of files can also make it time consuming to retrieve this big data from national data archive centers. Thus, many science teams choose to store what data they can on their local systems, but they are not always equipped with tools to help them intelligently organize and search their data. In its local data repository, the Aura Microwave Limb Sounder (MLS) science team at NASA's Jet Propulsion Laboratory has collected over 300TB of atmospheric science data from 71 missions/models that aid in validation, algorithm development, and research activities. When the project began, the team developed a MySQL database to aid in data queries, but this database was only designed to keep track of MLS and a few ancillary data sets, leving much of the data uncatalogued. The team has also seen database query time rise over the life of the mission. Even though the MLS science team's data holdings are not the size of a national data center's, team members still need tools to help them discover and utilize the data that they have on-hand. Over the past year, members of the science team have been looking for solutions to (1) store information on all the data sets they have collected in a single database, (2) store more metadata about each data file, (3) develop queries that can find relationships among these disparate data types, and (4) plug any new functions developed around this database into existing analysis, visualization, and web tools, transparently to users. In this presentation, I will discuss the searchSCF package that is currently under development. This package includes a NoSQL database management system (MongoDB) and a set of Python tools that both ingests data into the database and supports user queries. I will also

Self-consistent-field method and τ-functional method on group manifold in soliton theory. II. Laurent coefficients of soliton solutions for sln and for sun

International Nuclear Information System (INIS)

Nishiyama, Seiya; Providencia, Joao da; Komatsu, Takao

2007-01-01

To go beyond perturbative method in terms of variables of collective motion, using infinite-dimensional fermions, we have aimed to construct the self-consistent-field (SCF) theory, i.e., time dependent Hartree-Fock theory on associative affine Kac-Moody algebras along the soliton theory. In this paper, toward such an ultimate goal we will reconstruct a theoretical frame for a υ (external parameter)-dependent SCF method to describe more precisely the dynamics on the infinite-dimensional fermion Fock space. An infinite-dimensional fermion operator is introduced through Laurent expansion of finite-dimensional fermion operators with respect to degrees of freedom of the fermions related to a υ-dependent and a Υ-periodic potential. As an illustration, we derive explicit expressions for the Laurent coefficients of soliton solutions for sl n and for su n on infinite-dimensional Grassmannian. The associative affine Kac-Moody algebras play a crucial role to determine the dynamics on the infinite-dimensional fermion Fock space

Single crystal fibers growth of double lithium, lanthanium molybdate and adjustment of a micro-pulling down furnace for high vacuum setup

International Nuclear Information System (INIS)

Silva, Fernando Rodrigues da

2013-01-01

In this work we investigated crystal growth procedures aiming the development of single crystal fiber (SCF) for laser applications. For quality optimization in the fabrication of fluorides SCF a new growth chamber for a micro-pulling down furnace (μ-PD) was constructed targeting the fibers fabrication with strict atmosphere control (high vacuum, gas flux and static atmospheres). Simultaneously, the SCF growth process of rare earth double molybdates was studied. The growth of pure and Nd 3+ -doped SCF of LiLa(MoO 4 ) 2 (LLM) was studied in the range of 0,5 - 10mol% doping. The designed furnace growth chamber with controlled atmosphere was successfully constructed and tested under different conditions. Specially, it was tested with the growth of LiF SFC under CF 4 atmosphere showing the expected results. Transparent and homogeneous SCF of Nd:LLM were grown. In the pure fibers was observed facets formation, however, these defects were minimized after tuning of the growth parameters and additionally with the fibers doping. X-ray analysis showed the crystallization of a single phase (space group I4 1 /a); the optical coherence tomography showed the presence of scattering centers only in regions were some growth stability occurred due to the manual process control. The measured Nd 3+ distribution showed uniform incorporation, indicative of a segregation coefficient close to unity in LLM. The potential laser gain of the system was determined using a numerical solution of the rate equations system for the 805nm, CW pumping regime, showing the maximum laser emission gain at 1.064 μm for a Nd 3+ -doping of 5mol%. (author)

Single crystal fibers growth of double lithium, lanthanium molybdate and adjustment of a micro-pulling down furnace for high vacuum setup; Crescimento de fibras de molibdato duplo de litio e lantanio e adaptacao de sistema de alto vacuo para micro pulling-down

Energy Technology Data Exchange (ETDEWEB)

Silva, Fernando Rodrigues da

2013-07-01

In this work we investigated crystal growth procedures aiming the development of single crystal fiber (SCF) for laser applications. For quality optimization in the fabrication of fluorides SCF a new growth chamber for a micro-pulling down furnace ({mu}-PD) was constructed targeting the fibers fabrication with strict atmosphere control (high vacuum, gas flux and static atmospheres). Simultaneously, the SCF growth process of rare earth double molybdates was studied. The growth of pure and Nd{sup 3+}-doped SCF of LiLa(MoO{sub 4}){sub 2} (LLM) was studied in the range of 0,5 - 10mol% doping. The designed furnace growth chamber with controlled atmosphere was successfully constructed and tested under different conditions. Specially, it was tested with the growth of LiF SFC under CF{sub 4} atmosphere showing the expected results. Transparent and homogeneous SCF of Nd:LLM were grown. In the pure fibers was observed facets formation, however, these defects were minimized after tuning of the growth parameters and additionally with the fibers doping. X-ray analysis showed the crystallization of a single phase (space group I4{sub 1}/a); the optical coherence tomography showed the presence of scattering centers only in regions were some growth stability occurred due to the manual process control. The measured Nd{sup 3+} distribution showed uniform incorporation, indicative of a segregation coefficient close to unity in LLM. The potential laser gain of the system was determined using a numerical solution of the rate equations system for the 805nm, CW pumping regime, showing the maximum laser emission gain at 1.064 {mu}m for a Nd{sup 3+}-doping of 5mol%. (author)

Application of gradient-corrected density functional theory to the structures and thermochemistries of ScF3, TiF4, VF5, and CrF6

International Nuclear Information System (INIS)

Russo, T.V.; Martin, R.L.; Jeffrey Hay, P.

1995-01-01

Density functional theory (DFT) and Hartree--Fock (HF) calculations are reported for the family of transition metal fluorides ScF 3 , TiF 4 , VF 5 , and CrF 6 . Both HF and the local-density approximation (LDA) yield excellent agreement with experimental bond lengths, while the B-LYP gradient-corrected density functional gives bond lengths 0.04-0.05 A too long. An investigation of various combinations of exchange and correlation functionals shows that, for this series, the origin of this behavior lies in the Becke exchange functional. Much improved bond distances are found using the hybrid HF/DFT functional advocated by Becke. This approximation also leads to much improved thermochemistries. The LDA overestimates average bond energies in this series by 30-40 kcal/mol, whereas the B-LYP functional overbinds by only ∼8-12 kcal/mol, and the hybrid HF/DFT method overbinds by only ∼2 kcal/mol. The hybrid method predicts the octahedral isomer of CrF 6 to be more stable than the trigonal prismatic form by 14 kcal/mol. Comparison of theoretical vibrational frequencies with experiment supports the assignment of an octahedral geometry

Seniority Number in Valence Bond Theory.

Science.gov (United States)

Chen, Zhenhua; Zhou, Chen; Wu, Wei

2015-09-08

In this work, a hierarchy of valence bond (VB) methods based on the concept of seniority number, defined as the number of singly occupied orbitals in a determinant or an orbital configuration, is proposed and applied to the studies of the potential energy curves (PECs) of H8, N2, and C2 molecules. It is found that the seniority-based VB expansion converges more rapidly toward the full configuration interaction (FCI) or complete active space self-consistent field (CASSCF) limit and produces more accurate PECs with smaller nonparallelity errors than its molecular orbital (MO) theory-based analogue. Test results reveal that the nonorthogonal orbital-based VB theory provides a reverse but more efficient way to truncate the complete active Hilbert space by seniority numbers.

Ab initio calculation of the electronic structures of the 7∑+ ground and A 7Π and a 5∑+ excited states of MnH

Science.gov (United States)

Tomonari, Mutsumi; Nagashima, Umpei; Hirano, Tsuneo

2009-04-01

Electronic structures and molecular constants of the ground ∑7+ and low-lying A 7Π and a ∑5+ electronic excited states of the MnH molecule were studied by multireference single and double excitation configuration interaction (MR-SDCI) with Davidson's correction (+Q) calculations under exact C∞v symmetry using Slater-type basis sets. To correctly describe the ∑7+ electronic ground state, X ∑7+, at the MR-SDCI+Q calculation, we employed a large number of reference configurations in terms of the state-averaged complete active space self-consistent field (CASSCF) orbitals, taking into account the contribution from the B ∑7+ excited state. The A 7Π and a ∑5+ states can well be described by the MR-SDCI wave functions based on the CASSCF orbitals obtained for the lowest state only. In the MR-SDCI+Q, calculations of the X ∑7+, A 7Π, and a ∑5+ states required 16, 7, and 17 reference configurations, respectively. Molecular constants, i.e., re and ωe of these states and excitation energy from the X ∑7+ state, obtained at the MR-SDCI+Q level, showed a good agreement with experimental values. The small remaining differences may be accounted for by taking relativistic effects into account.

Ab initio calculation of the electronic structures of the (7)Sigma+ ground and A (7)Pi and a (5)Sigma+ excited states of MnH.

Science.gov (United States)

Tomonari, Mutsumi; Nagashima, Umpei; Hirano, Tsuneo

2009-04-21

Electronic structures and molecular constants of the ground (7)Sigma(+) and low-lying A (7)Pi and a (5)Sigma(+) electronic excited states of the MnH molecule were studied by multireference single and double excitation configuration interaction (MR-SDCI) with Davidson's correction (+Q) calculations under exact C(infinity v) symmetry using Slater-type basis sets. To correctly describe the (7)Sigma(+) electronic ground state, X (7)Sigma(+), at the MR-SDCI+Q calculation, we employed a large number of reference configurations in terms of the state-averaged complete active space self-consistent field (CASSCF) orbitals, taking into account the contribution from the B (7)Sigma(+) excited state. The A (7)Pi and a (5)Sigma(+) states can well be described by the MR-SDCI wave functions based on the CASSCF orbitals obtained for the lowest state only. In the MR-SDCI+Q, calculations of the X (7)Sigma(+), A (7)Pi, and a (5)Sigma(+) states required 16, 7, and 17 reference configurations, respectively. Molecular constants, i.e., r(e) and omega(e) of these states and excitation energy from the X (7)Sigma(+) state, obtained at the MR-SDCI+Q level, showed a good agreement with experimental values. The small remaining differences may be accounted for by taking relativistic effects into account.

Photovoltaic dependence of photorefractive grating on the externally applied dc electric field

Science.gov (United States)

Maurya, M. K.; Yadav, R. A.

2013-04-01

Photovoltaic dependence of photorefractive grating (i.e., space-charge field and phase-shift of the index grating) on the externally applied dc electric field in photovoltaic-photorefractive materials has been investigated. The influence of photovoltaic field (EPhN), diffusion field and carrier concentration ratio r (donor/acceptor impurity concentration ratio) on the space-charge field (SCF) and phase-shift of the index grating in the presence and absence of the externally applied dc electric field have also been studied in details. Our results show that, for a given value of EPhN and r, the magnitude of the SCF and phase-shift of the index grating can be enhanced significantly by employing the lower dc electric field (EONphotovoltaic-photorefractive crystal and higher value of diffusion field (EDN>40). Such an enhancement in the magnitude of the SCF and phase-shift of the index grating are responsible for the strongest beam coupling in photovoltaic-photorefractive materials. This sufficiently strong beam coupling increases the two-beam coupling gain that may be exceed the absorption and reflection losses of the photovoltaic-photorefractive sample, and optical amplification can occur. The higher value of optical amplification in photovoltaic-photorefractive sample is required for the every applications of photorefractive effect so that technology based on the photorefractive effect such as holographic storage devices, optical information processing, acousto-optic tunable filters, gyro-sensors, optical modulators, optical switches, photorefractive-photovoltaic solitons, biomedical applications, and frequency converters could be improved.

Design of Recombinant Stem Cell Factor macrophage Colony Stimulating Factor Fusion Proteins and their Biological Activity In Vitro

Science.gov (United States)

Chen, Tao; Yang, Jie; Wang, Yuelang; Zhan, Chenyang; Zang, Yuhui; Qin, Junchuan

2005-05-01

Stem cell factor (SCF) and macrophage colony stimulating factor (M-CSF) can act in synergistic way to promote the growth of mononuclear phagocytes. SCF-M-CSF fusion proteins were designed on the computer using the Homology and Biopolymer modules of the software packages InsightII. Several existing crystal structures were used as templates to generate models of the complexes of receptor with fusion protein. The structure rationality of the fusion protein incorporated a series of flexible linker peptide was analyzed on InsightII system. Then, a suitable peptide GGGGSGGGGSGG was chosen for the fusion protein. Two recombinant SCF-M-CSF fusion proteins were generated by construction of a plasmid in which the coding regions of human SCF (1-165aa) and M-CSF (1-149aa) cDNA were connected by this linker peptide coding sequence followed by subsequent expression in insect cell. The results of Western blot and activity analysis showed that these two recombinant fusion proteins existed as a dimer with a molecular weight of 84 KD under non-reducing conditions and a monomer of 42 KD at reducing condition. The results of cell proliferation assays showed that each fusion protein induced a dose-dependent proliferative response. At equimolar concentration, SCF/M-CSF was about 20 times more potent than the standard monomeric SCF in stimulating TF-1 cell line growth, while M-CSF/SCF was 10 times of monomeric SCF. No activity difference of M-CSF/SCF or SCF/M-CSF to M-CSF (at same molar) was found in stimulating the HL-60 cell linear growth. The synergistic effect of SCF and M-CSF moieties in the fusion proteins was demonstrated by the result of clonogenic assay performed with human bone mononuclear, in which both SCF/M-CSF and M-CSF/SCF induced much higher number of CFU-M than equimolar amount of SCF or M-CSF or that of two cytokines mixture.

Cloning of Soluble Human Stem Cell Factor in pET-26b(+) Vector.

Science.gov (United States)

Asghari, Salman; Shekari Khaniani, Mahmoud; Darabi, Masood; Mansoori Derakhshan, Sima

2014-01-01

Stem cell factor (SCF) plays an important role in the survival, proliferation and differentiation of hematopoietic stem cells and progenitor cells. Potential therapeutic applications of SCF include hematopoietic stem cell mobilization, exvivo stem/progenitor cell expansion, gene therapy, and immunotherapy. Considering the cost and problem in accessibility of this product in Iran, clears the importance of indigenizing production of rhSCF. In the present work, we describe the construction of the soluble rhSCF expression vector in pET-26b (+) with periplasmic localization potential. Following PCR amplification of human SCF ORF, it is cloned in pET-26b (+) vector in NcoI and XhoI sites. The recombinant construct was transformed into BL21 (DE3) Ecoli strains. The construction of recombinant vector was verified by colony PCR and sequence analysis of pET26b-hSCF vector. Sequence analyses proved that human SCF ORF has been inserted into NcoI and XhoI site with correct orientation downstream of strong T7 promotor and showed no nucleotide errors. The SCF ORF was successfully cloned in pET-26b (+) expression vector and is ready for future production of SCF protein.

Regulation of stem cell factor expression in inflammation and asthma

Directory of Open Access Journals (Sweden)

Carla A Da Silva

2005-03-01

Full Text Available Stem cell factor (SCF is a major mast cell growth factor, which could be involved in the local increase of mast cell number in the asthmatic airways. In vivo, SCF expression increases in asthmatic patients and this is reversed after treatment with glucocorticoids. In vitro in human lung fibroblasts in culture, IL-1beta, a pro-inflammatory cytokine, confirms this increased SCF mRNA and protein expression implying the MAP kinases p38 and ERK1/2 very early post-treatment, and glucocorticoids confirm this decrease. Surprisingly, glucocorticoids potentiate the IL-1beta-enhanced SCF expression at short term treatment, implying increased SCF mRNA stability and SCF gene transcription rate. This potentiation involves p38 and ERK1/2. Transfection experiments with the SCF promoter including intron1 also confirm this increase and decrease of SCF expression by IL-1beta and glucocorticoids, and the potentiation by glucocorticoids of the IL-1beta-induced SCF expression. Deletion of the GRE or kappaB sites abolishes this potentiation, and the effect of IL-1beta or glucocorticoids alone. DNA binding of GR and NF-kappaB are also demonstrated for these effects. In conclusion, this review concerns new mechanisms of regulation of SCF expression in inflammation that could lead to potential therapeutic strategy allowing to control mast cell number in the asthmatic airways.

Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV)

Energy Technology Data Exchange (ETDEWEB)

Francés-Monerris, Antonio; Segarra-Martí, Javier; Merchán, Manuela; Roca-Sanjuán, Daniel, E-mail: Daniel.Roca@uv.es [Instituto de Ciencia Molecular, Universitat de València, P.O. Box 22085, 46071 València (Spain)

2015-12-07

Low-energy (0-3 eV) ballistic electrons originated during the irradiation of biological material can interact with DNA/RNA nucleobases yielding transient-anion species which undergo decompositions. Since the discovery that these reactions can eventually lead to strand breaking of the DNA chains, great efforts have been dedicated to their study. The main fragmentation at the 0-3 eV energy range is the ejection of a hydrogen atom from the specific nitrogen positions. In the present study, the methodological approach introduced in a previous work on uracil [I. González-Ramírez et al., J. Chem. Theory Comput. 8, 2769-2776 (2012)] is employed to study the DNA canonical nucleobases fragmentations of N–H bonds induced by low-energy electrons. The approach is based on minimum energy path and linear interpolation of internal coordinates computations along the N–H dissociation channels carried out at the complete-active-space self-consistent field//complete-active-space second-order perturbation theory level. On the basis of the calculated theoretical quantities, new assignations for the adenine and cytosine anion yield curves are provided. In addition, the π{sub 1}{sup −} and π{sub 2}{sup −} states of the pyrimidine nucleobases are expected to produce the temporary anions at electron energies close to 1 and 2 eV, respectively. Finally, the present theoretical results do not allow to discard neither the dipole-bound nor the valence-bound mechanisms in the range of energies explored, suggesting that both possibilities may coexist in the experiments carried out with the isolated nucleobases.

Residues 39-56 of Stem Cell Factor Protein Sequence Are Capable of Stimulating the Expansion of Cord Blood CD34+ Cells.

Science.gov (United States)

Shen, Bin; Jiang, Wenhong; Fan, Jie; Dai, Wei; Ding, Xinxin; Jiang, Yongping

2015-01-01

Stem cell factor (SCF) can stimulate hematopoietic stem cell (HSC) expansion; however, the specific structural region(s) of SCF protein that are critical for this function are still unknown. A novel monoclonal antibody (named 23C8) against recombinant human SCF (rhSCF) was previously found to inhibit the ability of rhSCF to enhance HSC expansion, making it possible to identify the relevant active region to HSC. Eleven polypeptides were synthesized, which were designed to cover the full-length of rhSCF, with overlaps that are at least 3 amino acids long. ELISA was used to identify the polypeptide(s) that specifically react with the anti-SCF. The effects of the synthetic polypeptides on human HSC expansion, or on the ability of the full-length rhSCF to stimulate cell proliferation, were evaluated ex vivo. Total cell number was monitored using hemocytometer whereas CD34+ cell number was calculated based on the proportion determined via flow cytometry on day 6 of culture. Of all polypeptides analyzed, only one, named P0, corresponding to the SCF protein sequence at residues 39-56, was recognized by 23C8 mAb during ELISA. P0 stimulated the expansion of CD34+ cells derived from human umbilical cord blood (UCB). Addition of P0 increased the numbers of total mononucleated cells and CD34+ cells, by ~2 fold on day 6. P0 also showed partial competition against full-length rhSCF in the ex vivo cell expansion assay. Residues 39-56 of rhSCF comprise a critical functional region for its ability to enhance expansion of human UCB CD34+ cells. The peptide P0 is a potential candidate for further development as a synthetic substitute for rhSCF in laboratory and clinical applications.

Momentum density maps for molecules

International Nuclear Information System (INIS)

Cook, J.P.D.; Brion, C.E.

1982-01-01

Momentum-space and position-space molecular orbital density functions computed from LCAO-MO-SCF wavefunctions are used to rationalize the shapes of some momentum distributions measured by binary (e,2e) spectroscopy. A set of simple rules is presented which enable one to sketch the momentum density function and the momentum distribution from a knowledge of the position-space wavefunction and the properties and effects of the Fourier Transform and the spherical average. Selected molecular orbitals of H 2 , N 2 and CO 2 are used to illustrate this work

Supply Chain Finance in China: Business Innovation and Theory Development

Directory of Open Access Journals (Sweden)

Xiaohong Liu

2015-11-01

Full Text Available Supply chain finance (SCF is concerned with the capital flows within a supply chain, an area often neglected in past decades, while SCF does have an impact on a firm’s capability to adopt sustainable supply chain management (SCM practices. The aim of this study is to explore new insight from a growing body of research which is investigating SCF issues in China, an evolving transition economy. A content analysis on a review of 151 Chinese-written SCF papers from 2004–2014, based on a sample of 45 leading Chinese journals (Chinese Social Science Citation Index, CSSCI was conducted from three perspectives: topical coverage, theoretical application and methodological inquiry. The study reveals that the research stream of SCF in China has emerged and evolved to a considerable extent. However, the SCF phenomenon in China is not exactly the same as “SCF” as it is perceived in the mature economy, which is articulated in mainstream SCM English literature. The Chinese business context in which SCF has been implemented has played a dominant role in initiating, affecting and even shaping SCF. This study represents the first endeavor in the field of SCM. It diffuses the Chinese-written SCF research in mainstream SCM English literature.

Cloning of Soluble Human Stem Cell Factor in pET-26b(+ Vector

Directory of Open Access Journals (Sweden)

Salman Asghari

2014-03-01

Full Text Available Purpose: Stem cell factor (SCF plays an important role in the survival, proliferation and differentiation of hematopoietic stem cells and progenitor cells. Potential therapeutic applications of SCF include hematopoietic stem cell mobilization, exvivo stem/progenitor cell expansion, gene therapy, and immunotherapy. Considering the cost and problem in accessibility of this product in Iran, clears the importance of indigenizing production of rhSCF. In the present work, we describe the construction of the soluble rhSCF expression vector in pET-26b (+ with periplasmic localization potential. Methods: Following PCR amplification of human SCF ORF, it is cloned in pET-26b (+ vector in NcoI and XhoI sites. The recombinant construct was transformed into BL21 (DE3 Ecoli strains. Results: The construction of recombinant vector was verified by colony PCR and sequence analysis of pET26b-hSCF vector. Sequence analyses proved that human SCF ORF has been inserted into NcoI and XhoI site with correct orientation downstream of strong T7 promotor and showed no nucleotide errors. Conclusion: The SCF ORF was successfully cloned in pET-26b (+ expression vector and is ready for future production of SCF protein.

Expression of the stem cell factor in fibroblasts, endothelial cells, and macrophages in periapical tissues in human chronic periapical diseases.

Science.gov (United States)

Shen, S Q; Wang, R; Huang, S G

2017-03-08

Stem cell factor (SCF), an important stem cell cytokine, has multiple functions. Fibroblasts (FBs), mature mast cells, endothelial cells (ECs), and eosinophil granulocytes can produce SCF in the inflammatory process. Therefore, we aimed to observe SCF expression in FBs, ECs, and macrophages (MPs) in periapical tissues in human chronic periapical disease and investigate the effects of cells expressing SCF in pathogenesis of the disease. Healthy (N = 20), periapical cyst (N = 15), and periapical granuloma (N = 15) tissues were fixed in 10% formalin for 48 h, embedded in paraffin, and stained with hematoxylin and eosin to observe histological changes. SCF expression was observed in FBs, ECs, and MPs in periapical tissues by double immunofluorescence. CD334, CD31, and CD14 are specific markers of FBs, ECs, and MPs, respectively. Results showed that densities of CD334-SCF double-positive FBs, CD31-SCF double-positive ECs, and CD14-SCF double-positive MPs were significantly increased in periapical tissue groups (P periapical tissue groups (P > 0.05). CD14-SCF double-positive MP density was considerably higher in periapical granulomas than in cysts (P periapical tissues, suggesting that the cells might be related to occurrence, development, and pathogenesis of chronic periapical disease.

Sustained release of stem cell factor in a double network hydrogel for ex vivo culture of cord blood-derived CD34+ cells.

Science.gov (United States)

Zhang, Yuanhao; Pan, Xiuwei; Shi, Zhen; Cai, Haibo; Gao, Yun; Zhang, Weian

2018-04-01

Stem cell factor (SCF) is considered as a commonly indispensable cytokine for proliferation of haematopoietic stem cells (HSCs), which is used in large dosages during ex vivo culture. The work presented here aimed to reduce the consumption of SCF by sustained release but still support cells proliferation and maintain the multipotency of HSCs. Stem cell factor was physically encapsulated within a hyaluronic acid/gelatin double network (HGDN) hydrogel to achieve a slow release rate. CD34 + cells were cultured within the SCF-loaded HGDN hydrogel for 14 days. The cell number, phenotype and functional capacity were investigated after culture. The HGDN hydrogels had desirable properties and encapsulated SCF kept being released for more than 6 days. SCF remained the native bioactivity, and the proliferation of HSCs within the SCF-loaded HGDN hydrogel was not affected, although the consumption of SCF was only a quarter in comparison with the conventional culture. Moreover, CD34 + cells harvested from the SCF-loaded HGDN hydrogels generated more multipotent colony-forming units (CFU-GEMM). The data suggested that the SCF-loaded HGDN hydrogel could support ex vivo culture of HSCs, thus providing a cost-effective culture protocol for HSCs. © 2017 John Wiley & Sons Ltd.

Effects of Soluble Corn Fiber Alone or in Synbiotic Combination with Lactobacillus rhamnosus GG and the Pilus-Deficient Derivative GG-PB12 on Fecal Microbiota, Metabolism, and Markers of Immune Function: A Randomized, Double-Blind, Placebo-Controlled, Crossover Study in Healthy Elderly (Saimes Study).

Science.gov (United States)

Costabile, Adele; Bergillos-Meca, Triana; Rasinkangas, Pia; Korpela, Katri; de Vos, Willem M; Gibson, Glenn R

2017-01-01

The aging process leads to a potential decline in immune function and adversely affects the gut microbiota. To date, many in vitro and in vivo studies focused on the application of synbiotics (prebiotics combined with probiotics) as a promising dietary approach to affect gut microbiota composition and improved functioning of the immune system. However, studies using synbiotic preparations often have the limitation that it remains unclear whether any effect observed is a result of the prebiotic or probiotic or a synergistic effect of the combined supplement. We investigated the effects of a probiotic Lactobacillus rhamnosus GG and pilus-deficient L. rhamnosus GG-PB12 combined with Promitor™ Soluble Corn Fiber (SCF, a candidate prebiotic) on fecal microbiota, metabolism, immunity, and blood lipids in healthy elderly persons. A prospective, double-blind, placebo controlled, randomized, single-centered, crossover study in 40 healthy elderly subjects (aged 60-80 years) was carried out. Volunteers were randomized to consume either probiotic and prebiotic as synbiotic, prebiotic or placebo (maltodextrin) during 3 weeks. Three-week washout periods separated all the treatments. We assessed effects upon blood lipids, glucose, cytokines, natural killer (NK) cell activity, phenotype, and intestinal microbiota composition. SCF decreased IL-6, which was not observed with the synbiotics. Consumption of L. rhamnosus GG combined with SCF increased NK cell activity compared to baseline in females and the older group. In the fecal microbiota analyses, the strongest community shifts were due to L. rhamnosus GG combined with SCF and SCF treatments. L. rhamnosus GG combined with SCF and L. rhamnosus GG-PB12 combined with SCF significantly increased the genus Parabacteroides . L. rhamnosus GG combined with SCF and SCF increased concentrations of Ruminococcaceae Incertae Sedis . Oscillospira and Desulfovibrio slightly decreased in the L. rhamnosus GG combined with SCF group, whereas

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics

Science.gov (United States)

Kretchmer, Joshua S.; Chan, Garnet Kin-Lic

2018-02-01

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

Stem cell factor expression after renal ischemia promotes tubular epithelial survival.

Directory of Open Access Journals (Sweden)

Geurt Stokman

Full Text Available BACKGROUND: Renal ischemia leads to apoptosis of tubular epithelial cells and results in decreased renal function. Tissue repair involves re-epithelialization of the tubular basement membrane. Survival of the tubular epithelium following ischemia is therefore important in the successful regeneration of renal tissue. The cytokine stem cell factor (SCF has been shown to protect the tubular epithelium against apoptosis. METHODOLOGY/PRINCIPAL FINDINGS: In a mouse model for renal ischemia/reperfusion injury, we studied how expression of c-KIT on tubular epithelium and its ligand SCF protect cells against apoptosis. Administration of SCF specific antisense oligonucleotides significantly decreased specific staining of SCF following ischemia. Reduced SCF expression resulted in impaired renal function, increased tubular damage and increased tubular epithelial apoptosis, independent of inflammation. In an in vitro hypoxia model, stimulation of tubular epithelial cells with SCF activated survival signaling and decreased apoptosis. CONCLUSIONS/SIGNIFICANCE: Our data indicate an important role for c-KIT and SCF in mediating tubular epithelial cell survival via an autocrine pathway.

Blending of soluble corn fiber with pullulan, sorbitol, or fructose attenuates glycemic and insulinemic responses in the dog and affects hydrolytic digestion in vitro.

Science.gov (United States)

de Godoy, M R C; Knapp, B K; Bauer, L L; Swanson, K S; Fahey, G C

2013-08-01

The objective of these experiments was to measure in vitro hydrolytic digestion and glycemic and insulinemic responses of select carbohydrate blends, all containing the novel carbohydrate soluble corn fiber (SCF). Two SCF that varied in their method of production were used to formulate the carbohydrate blends. One set of blends contained a SCF that was spray dried (SCFsd) and then blended with different amounts of either pullulan, sorbitol, or fructose. The other set of blends contained a SCF produced using longer evaporation time (SCF) and then blended with different ratios of pullulan, sorbitol, and fructose. Free sugar concentrations found in the individual SCFsd and SCF substrates were low but varied. Spray-dried soluble corn fiber had a reduced free sugar concentration compared with SCF (2.8 vs. 14.2%). Glucose was the main free sugar found in both SCFsd and SCF but at different concentrations (2.7 vs. 12.7%, respectively). The majority of the SCFsd blends were completely hydrolyzed to their monosaccharide components. Glucose accounted for most of the hydrolyzed monosaccharides for SCFsd and all the SCFsd blends. Hydrolyzed monosaccharide concentrations for the SCF:pullulan:sorbitol:fructose blends followed similar trends to the SCFsd blends where greater percentages of fructose and sorbitol resulted in decreased (P sorbitol. Total released monosaccharides were high in SCFsd blends containing either 50% fructose or sorbitol, but the combination resulted in reduced concentrations of glucose released (P sorbitol:fructose blends also had intermediate to high released monosaccharides as a result of in vitro hydrolytic digestion. All SCF blends resulted in decreased glycemic and insulinemic responses compared with the maltodextrin control (P sorbitol in the blends had the greatest impact on glycemic and insulinemic responses, even at concentrations as low as 5% of the blends. Overall, SCF and their blends may prove beneficial as components of low glycemic

Stem cell factor enhances the survival of murine intestinal stem cells after photon irradiation

International Nuclear Information System (INIS)

Leigh, B.R.; Khan, W.; Hancock, S.L.

1995-01-01

Recombinant rat stem cell factor (SCF) has been shown to decrease lethality in mice exposed to total-body irradiation (TBI) in the lower range of lethality through radioprotection of hematopoietic stem cells and acceleration of bone marrow repopulation. This study evaluates the effect of SCF on the survival of the intestinal mucosal stem cell after TBI. This non-hematopoietic cell is clinically relevant. Gastrointestinal toxicity is common during and after abdominal and pelvic radiation therapy and limits the radiation dose in these regions. As observed with bone marrow, the administration of SCF to mice prior to TBI enhanced the survival of mouse duodenal crypt stem cells. The maximum enhancement of survival was seen when 100 μ/kg of SCF was given intraperitoneally 8 h before irradiation. This regimen increased the survival of duodenal crypt stem cells after 12.0 Gy TBI from 22.5 ± 0.7 per duodenal cross section for controls to 30.0 ± 1.7 after treatment with SCF (P=0.03). The TBI dose producing 50% mortality of 6 days (LD 50/6 ) was increased from 14.9 Gy for control mice to 19.0 Gy for mice treated with SCF (dose modification factor = 1.28). These findings demonstrate that SCF (dose modification factor = 1.28). These findings demonstrate that SCF has radioprotective effects on a non-hematopoietic stem cell population and suggest that SCF may be of clinical value in preventing radiation injury to the intestine. 29 refs., 4 figs

Cerebrospinal fluid (CSF) transient responses induced by hypercapnia

International Nuclear Information System (INIS)

Fisher, M.J.

1984-01-01

CSF transient responses to CO 2 inhalation were measured before and after facilitated perfusate flow through subarachnoid spaces of anesthetized cats during ventriculocisternal perfusion with artificial CSF containing 14 C-dextran. Convective mixing of perfusate in subarachnoid spaces was augmented while infusion constant, either by impeding cisternal efflux of perfusate by raising the cisternal outflow cannula (high CSF pressure), or by preventing CSF outflow by clamping the cisternal outflow cannula (stopflow; S-F). CSF transients were also measured before and after systemic administration of phenoxybenzamine (PBZ) in order to evaluate the contribution of sympatho-adrenergic activity to craniospinal CSF redistribution and mixing. Results from high CSF pressure and S-F experiments indicate that unequilibrated CSF contributes significantly to the reduced tracer concentration in CSF volume (Vd) since SCF effluent tracer concentration (Cd) was decreased after subarachnoid facilitated flow. Further, results from S-F studies indicate that at least 50% of Cd is due to craniospinal fluid redistribution, a process which, along with CSF outflow transients, was unaffected by PBZ. Conversely, PBZ administration decreased steady state SCF formation and absorption through alpha-mediated cerebrovascular responses and/or through beta-adrenoceptor inhibition of metabolism of CSF secretory epithelium

In vitro effects of recombinant human stem cell factor on hematopoietic cells from patients with acute radiation sickness

International Nuclear Information System (INIS)

Li Chuansheng; Cheng Tao; Xu Yanqun

1994-01-01

The effects of rhSCF, rhPIXY 321, rhGM-CSF and rhIL-3 on clonal proliferation of hematopoietic cells from five cases of acute radiation sickness were studied. The results showed that rhSCF could stimulate clonal proliferation of normal hematopoietic cells and the best results were obtained when the concentration of rhSCF was 5 x 10 4 ng/L. Clonal proliferation of hematopoietic cells from four cases of acute radiation sickness was stimulated while that from one case was inhibited. Moreover, the responsiveness of cells to rhSCF was correlated with the doses of radiation. Analysis of cell surface antigen, cell morphology and histochemistry revealed that rhSCF promoted predominantly the proliferation of granulocyte-macrophage lineage. rhSCF in combination with other three factors could further enhance the clonal proliferation of hematopoietic cells. The effects of rhPIXY 321, a fusion protein of GM-CSF and IL-3, were also analysed and found it to be a novel valuable hematopoietic growth factor

Electron correlation effects on geometries and 19F shieldings of fluorobenzenes

International Nuclear Information System (INIS)

Webb, G.A.; Karadakov, P.B.; England, J.A.

2000-01-01

In order to include the effects of electron correlation in ab initio molecular orbital calculations it is necessary to go beyond the single determinant Hartree-Fock (HF) level of theory. In the present investigation the influences of both dynamic and non-dynamic correlation effects on the optimised geometries and 19 F nuclear shielding calculations of the twelve fluorobenzenes are reported.The non-dynamic electron correlation effects are represented by complete-active space self-consistent field (CASSCF) calculations. Second- and fourth-order Moller-Plesset (MP2 and MP4) calculations are used to describe the dynamic electron correlation effects. Some density-functional (DFT) results are also reported which do not distinguish between dynamic and non-dynamic electron correlation. Following the correlated geometry optimisations 19 F nuclear shielding calculations were performed using the gauge-included atomic orbitals (GIAO) procedure, these were undertaken with wave functions which include various levels of electron correlation including HF, CASSCF and MP2. For the calculations of the optimised geometries, and some of the nuclear shieldings the 6-13G** basis set s used whereas the locally-dense [6-13G** on C and H and 6-311++G(2d,2p) on F] set is used for some of the shielding calculations. A comparison of the results of HF shielding calculations using other basis sets is included. Comparison of the calculated geometry and shielding results with relevant, reported, experimental data is made. (author)

Assessing the usability and potential value of seasonal climate forecasts in land management decisions in the southwest UK: challenges and reflections

Science.gov (United States)

Soares, Marta Bruno

2017-06-01

The potential usability and benefits of seasonal climate forecasts (SCF) to help inform decision-making processes is widely accepted. However, the practical use of SCF in Europe is still fairly recent and, as such, current knowledge of the added benefits of SCF in supporting and improving decision-making is limited. This study is based on research conducted to co-develop a semi-operational climate service prototype - the Land Management Tool (LMTool) - with farmers in South West regions of the UK. The value of the SCF provided to the farmers was examined to help us understand the usability and (potential) value of these forecasts in farmers' decisions during the winter months of 2015/2016. The findings from the study point to the need to explore and develop (new) research methods capable of addressing the complexity of the decision-making processes, such as those in the farming sector. The farmers who used the SCF perceived it as useful and usable as it helped them change and adapt their decision-making and thus, avoid unnecessary costs. However, to fully grasp the potential value of using SCF, farmers emphasised the need for the provision of SCF for longer periods of time to allow them to build trust and confidence in the information provided. This paper contributes to ongoing discussions about how to assess the use and value of SCF in decision-making processes in a meaningful and effective way.

A source classification framework supporting pollutant source mapping, pollutant release prediction, transport and load forecasting, and source control planning for urban environments

DEFF Research Database (Denmark)

Lützhøft, Hans-Christian Holten; Donner, Erica; Wickman, Tonie

2012-01-01

for this purpose. Methods Existing source classification systems were examined by a multidisciplinary research team, and an optimised SCF was developed. The performance and usability of the SCF were tested using a selection of 25 chemicals listed as priority pollutants in Europe. Results The SCF is structured...... in the form of a relational database and incorporates both qualitative and quantitative source classification and release data. The system supports a wide range of pollution monitoring and management applications. The SCF functioned well in the performance test, which also revealed important gaps in priority...

Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method

Directory of Open Access Journals (Sweden)

N.Yoshida

2007-09-01

Full Text Available An analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field (MOZ-SCF method is presented. MOZ-SCF theory is one of the theories to considering the solvent effects on the solute electronic structure in solution. [Yoshida N. et al., J. Chem. Phys., 2000, 113, 4974] Molecular geometries of water, formaldehyde, acetonitrile and acetone in water are optimized by analytical energy gradient formula. The results are compared with those from the polarizable continuum model (PCM, the reference interaction site model (RISM-SCF and the three dimensional (3D RISM-SCF.

EVALUATION OF ENEMAS CONTAINING SUCRALFATE IN TISSUE CONTENT OF MUC-2 PROTEIN IN EXPERIMENTAL MODEL OF DIVERSION COLITIS.

Science.gov (United States)

Fernandez, Oscar Orlando Araya; Pereira, José Aires; Campos, Fábio Guilherme; Araya, Carolina Mardegan; Marinho, Gabriele Escocia; Novo, Rafaela de Souza; Oliveira, Thais Silva de; Franceschi, Yara Tinoco; Martinez, Carlos Augusto Real

2017-01-01

The effects of topical application of sucralfate (SCF) on the tissue content of MUC-2 protein have not yet been evaluated in experimental models of diversion colitis. To measure the tissue content of MUC-2 protein in the colonic mucosa diverted from fecal stream submitted to the SCF intervention. Thirty-six rats underwent derivation of intestinal transit through proximal colostomy and distal mucous fistula. The animals were divided into three groups which were submitted application of enemas with saline, SCF 1 g/kg/day and SCF 2 g/kg/day. Each group was divided into two subgroups, according to euthanasia was done after two or four weeks. The colitis diagnosis was established by histopathological study and the inflammatory intensity was evaluated by previously validated scale. The MUC-2 protein was identified by immunohistochemistry and the tissue content was measured computerized morphometry). The application of enemas with SCF in the concentration of 2 g/kg/day reduced inflammatory score of the segments that were diverted from fecal stream. The content of MUC-2 in diverted colon of the animals submitted to the intervention with SCF, independently of intervention period and the used concentration, was significantly greater than animals submitted to the application of enemas containing saline (p< 0.01). The content of MUC-2 after the intervention with SCF in the concentration of 2 g/kg/day was significantly higher when compared to the animals submitted to the application containing SCF at concentration of 1.0 g/kg/day (p<0.01). The tissue content of MUC-2 reached the highest values after intervention with SCF in the concentration of 2 g/kg/day for four weeks (p<0.01). Conclusion: The preventive application of enemas containing SCF reduces the inflammatory score and avoids the reduction of tissue content of MUC-2, suggesting that the substance is a valid therapeutic strategy to preserve the mucus layer that covers the intestinal epithelium.

Modeling photoabsorption of the asFP595 chromophore.

Science.gov (United States)

Bravaya, Ksenia B; Bochenkova, Anastasia V; Granovsky, Alexander A; Savitsky, Alexander P; Nemukhin, Alexander V

2008-09-18

The fluorescent protein asFP595 is a promising photoswitchable biomarker for studying processes in living cells. We present the results of a high level theoretical study of photoabsorption properties of the model asFP595 chromophore molecule in biologically relevant protonation states: anionic, zwitterionic, and neutral. Ground state equilibrium geometry parameters are optimized in the PBE0/(aug)-cc-pVDZ density functional theory approximation. An augmented version of multiconfigurational quasidegenerate perturbation theory (aug-MCQDPT2) following the state-averaged CASSCF/(aug)-cc-pVDZ calculations is used to estimate the vertical S0-S1 excitation energies for all chromophore species. An accuracy of this approach is validated by comparing the computed estimates of the S0-S1 absorption maximum of the closely related chromophore from the DsRed protein to the known experimental value in the gas phase. An influence of the CASSCF active space on the aug-MCQDPT2 excitation energies is analyzed. The zwitterionic form of the asFP595 chromophore is found to be the most sensitive to a particular choice and amount of active orbitals. This observation is explained by the charge-transfer type of the S0-S1 transition involving the entire conjugated pi-electron system for the zwitterionic protonation state. According to the calculation results, the anionic form in the trans conformation is found to possess the most red-shifted absorption band with the maximum located at 543 nm. The bands of the zwitterionic and neutral forms are considerably blue-shifted compared to those of the anionic form. These conclusions are at variance with the results obtained in the TDDFT approximation for the asFP595 chromophore. The absorption wavelengths computed in the aug-MCQDPT2/CASSCF theory are as follows: 543 (535), 470 (476), and 415 (417) nm for the anionic, zwitterionic, and neutral forms of the trans and cis (in parentheses) isomers of the asFP595 chromophore. These data can be used as a

Ab initio Investigation to Model Stilbene Photo-Physical Properties by Combining CC2 Topological Investigation and CASPT2 Energy Corrections

International Nuclear Information System (INIS)

Tomasello, Gaia; Altoe, Piero; Garavelli, Marco; Orlandi, Giorgio

2007-01-01

Stilbene photoexcitation and consequent decay to the ground state has been investigated by mapping the Minimum Energy Path (MEP) from S 1 spectroscopic state triggering an almost barrierless reaction pathway to an S 1 /S 0 degenerate region. The particular influence of the σ-π excitation on the S 1 wave function, dominated by a π→π* character, reveals how the non-dynamical correlation energy was important to correctly describe the excited state behaviour and the topological aspect of its potential energy surface. Several strategies of calculations, by using CASSCF//CASPT2 methods, were performed trying to improve the photochemical description nowadays known. Both symmetry and non symmetry preserving computations were performed; systematically was concluded that, because of the limit of CASSCF description enables only to introduce the correlation effect such as the ones due to σ-π excitations, CASSCF and CASPT2 topologies are probably often not in agreement. Thus CC2 methodology was adopted o optimize the S 1 geometries and obtain reasonable structures for the minima. Two S 1 /S 0 accessible conical intersections featured by pyramidalized carbons were located on the first excited state explaining the ultrafast radiationless decay to the ground state and the photoproducts observed within the timescale of ps

Schisandra chinensis fruit modulates the gut microbiota composition in association with metabolic markers in obese women: a randomized, double-blind placebo-controlled study.

Science.gov (United States)

Song, Mi-young; Wang, Jing-hua; Eom, Taewoong; Kim, Hojun

2015-08-01

Schisandra chinensis fruit (SCF) is known to have beneficial effects on metabolic diseases, including obesity, and to affect gut microbiota in in vivo studies. However, in human research, there have been a few studies in terms of its clinical roles in lipid metabolism and modulation of gut microbiota. A double-blind, placebo-controlled study with 28 obese women with SCF or placebo was conducted for 12 weeks. Anthropometry and blood and fecal sampling were performed before and after treatment. Analysis of the gut microbiota in feces was performed using denaturing gradient gel electrophoresis and quantitative polymerase chain reaction. Although the values did not differ significantly between the 2 groups, the SCF group tended to show a greater decrease in waist circumference, fat mass, fasting blood glucose, triglycerides, aspartate aminotransferase, and alanine aminotransferase than the placebo group. Clustering of the denaturing gradient gel electrophoresis fingerprints for total bacteria before and after treatment indicated more separate clustering in SCF group than placebo. In correlation analysis, Bacteroides and Bacteroidetes (both increased by SCF) showed significant negative correlation with fat mass, aspartate aminotransferase, and/or alanine aminotransferase, respectively. Ruminococcus (decreased by SCF) showed negative correlation with high-density lipoprotein cholesterol and fasting blood glucose. In conclusion, administration of SCF for 12 weeks resulted in modulation of the gut microbiota composition in Korean obese women, and significant correlations with some bacterial genera and metabolic parameters were noted. However, in general, SCF was not sufficient to induce significant changes in obesity-related parameters compared with placebo. Copyright © 2015 Elsevier Inc. All rights reserved.

A neutronic assessment of the new Spherical Cermets Fuel concept for the BWR-PB reactor

International Nuclear Information System (INIS)

Benchrif, A.; Chetaine, A.; Amsil, H.; Bounakhla, M.

2010-01-01

The tri-structural-isotopic (TRISO) fuel directly cooled by boiling light water is used in the boiling water reactor with pebble-bed coated particles (BWR-PB). At the lower coolant temperature, the TRISO fuel particles demonstrate an unacceptable irradiation swelling in the silicon carbide coating layer during a fuel cycle. So, the objectives of this paper, on the one hand is to evaluate some neutronic parameters of a new fuel concept, Spherical Cermets Fuel (SCF), for a BWR-PB reactor. On the other hand, to assess the fact of SCF fuel concept on the fuel assembly lifetime and the burn-up characteristic. All the parameters as well as Infinite Multiplication Factor, Spectrum Index, Instantaneous Conversion Ratio and Neutron Energy Spectrum was calculated then compared for the TRISO and the SCF fuel concept. It can be seen from the assessment of fuel assembly burn-up characteristics that the normalised neutron spectra of all the assembly's parts pointed out a thermal spectrum for the SCF fuel assembly's parts than the TRISO one. The SCF fuel element increase the assembly life time about 6.1 EFPY corresponding 8000 MWd/t. So, the fuel assembly can be operated for a reasonably long period without outside refuelling. The difference in the assembly lifetime might leads to SCF fuel concept adopted, because the geometry and concept of TRISO fuel particles are wholly different to SCF ones. (author)

Soluble Fiber Dextrin and Soluble Corn Fiber Supplementation Modify Indices of Health in Cecum and Colon of Sprague-Dawley Rats

Directory of Open Access Journals (Sweden)

Maria R. C. de Godoy

2013-02-01

Full Text Available The objective of this study was to evaluate health outcomes resulting from dietary supplementation of novel, low-digestible carbohydrates in the cecum and colon of Sprague-Dawley rats randomly assigned to one of four treatment groups for 21 days: 5% cellulose (Control, Pectin, soluble fiber dextrin (SFD, or soluble corn fiber (SCF. Rats fed Pectin had a higher average daily food intake, but no differences in final body weights or rates of weight gain among treatments were observed. No differences were observed in total short-chain fatty acid (SCFA or branched-chain fatty acid (BCFA concentrations in the cecum and colon of rats fed either SFD or SCF. The SFD and SCF treatments increased cecal propionate and decreased butyrate concentrations compared to Control or Pectin. Pectin resulted in increased BCFA in the cecum and colon. Supplementation of SFD and SCF had no effect on cecal microbial populations compared to Control. Consumption of SFD and SCF increased total and empty cecal weight but not colon weight. Gut histomorphology was positively affected by SFD and SCF. Increased crypt depth, goblet cell numbers, and acidic mucin were observed in both the cecum and colon of rats supplemented with SFD, SCF, and Pectin. These novel, low-digestible carbohydrates appear to be beneficial in modulating indices of hindgut morphology when supplemented in the diet of the rat.

An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction

International Nuclear Information System (INIS)

Albaugh, Alex; Demerdash, Omar; Head-Gordon, Teresa

2015-01-01

We have adapted a hybrid extended Lagrangian self-consistent field (EL/SCF) approach, developed for time reversible Born Oppenheimer molecular dynamics for quantum electronic degrees of freedom, to the problem of classical polarization. In this context, the initial guess for the mutual induction calculation is treated by auxiliary induced dipole variables evolved via a time-reversible velocity Verlet scheme. However, we find numerical instability, which is manifested as an accumulation in the auxiliary velocity variables, that in turn results in an unacceptable increase in the number of SCF cycles to meet even loose convergence tolerances for the real induced dipoles over the course of a 1 ns trajectory of the AMOEBA14 water model. By diagnosing the numerical instability as a problem of resonances that corrupt the dynamics, we introduce a simple thermostating scheme, illustrated using Berendsen weak coupling and Nose-Hoover chain thermostats, applied to the auxiliary dipole velocities. We find that the inertial EL/SCF (iEL/SCF) method provides superior energy conservation with less stringent convergence thresholds and a correspondingly small number of SCF cycles, to reproduce all properties of the polarization model in the NVT and NVE ensembles accurately. Our iEL/SCF approach is a clear improvement over standard SCF approaches to classical mutual induction calculations and would be worth investigating for application to ab initio molecular dynamics as well

Why does the Aitken extrapolation often help to attain convergence in self-consistent field calculations?

International Nuclear Information System (INIS)

Cioslowski, J.

1988-01-01

The Aitken (three-point) extrapolation is one of the most popular convergence accelerators in the SCF calculations. The conditions that guarantee the Aitken extrapolation to bring about an unconditional convergence in the SCF process are examined. Classification of the SCF divergences is presented and it is shown that the extrapolation can be expected to work properly only in the case of oscillatory divergence

40 CFR 63.365 - Test methods and procedures.

Science.gov (United States)

2010-07-01

...=standard volume, 24.05 liters per mole (L/mole)=22.414 L/mole ideal gas law constant corrected to 20 °C and 101.325 kPa (385.32 scf per mole (scf/mole)=359 scf/mole ideal gas law constant corrected to 68 °F and... be determined by either: (A) Weighing the ethylene oxide gas cylinder(s) used to charge the...

Novel UV-emitting single crystalline film phosphors grown by LPE method

International Nuclear Information System (INIS)

Zorenko, Y.; Gorbenko, V.; Savchyn, V.; Voznyak, T.; Nikl, M.; Mares, J.A.; Winnacker, A.

2010-01-01

This work reports the development of new types of UV-emitting phosphors based on single crystalline films (SCF) of aluminum garnet and perovskite compounds grown by the liquid phase epitaxy method. We consider peculiarities of the growth and the luminescent and scintillation properties of the following four types of UV SCF phosphors: i) Ce-doped SCF of Y-Lu-Al-perovskites with the Ce 3+ emission in the 300-450 nm range of the decay time of 16-17 ns; ii) Pr-doped SCF of Y-Lu-Al garnets and perovskites with the Pr 3+ emission in the 300-400 nm and 235-330 nm ranges with the decay time of 13-19 and 7-8 ns, respectively; iii) La 3+ or Sc 3+ doped SCF of Y-Lu-Al-garnets, emitting in the 280-400 nm range due to formation of the La Y,Lu , Sc Y,Lu and Sc Al centers with decay time of the order of several hundreds of nanoseconds; iv) Bi 3+ doped SCF of garnets with Bi 3+ emission in 275-350 nm with decay time of about 1.9 μs.

A new mixed self-consistent field procedure

Science.gov (United States)

Alvarez-Ibarra, A.; Köster, A. M.

2015-10-01

A new approach for the calculation of three-centre electronic repulsion integrals (ERIs) is developed, implemented and benchmarked in the framework of auxiliary density functional theory (ADFT). The so-called mixed self-consistent field (mixed SCF) divides the computationally costly ERIs in two sets: far-field and near-field. Far-field ERIs are calculated using the newly developed double asymptotic expansion as in the direct SCF scheme. Near-field ERIs are calculated only once prior to the SCF procedure and stored in memory, as in the conventional SCF scheme. Hence the name, mixed SCF. The implementation is particularly powerful when used in parallel architectures, since all RAM available are used for near-field ERI storage. In addition, the efficient distribution algorithm performs minimal intercommunication operations between processors, avoiding a potential bottleneck. One-, two- and three-dimensional systems are used for benchmarking, showing substantial time reduction in the ERI calculation for all of them. A Born-Oppenheimer molecular dynamics calculation for the Na+55 cluster is also shown in order to demonstrate the speed-up for small systems achievable with the mixed SCF. Dedicated to Sourav Pal on the occasion of his 60th birthday.

Performance analysis of next-generation lunar laser retroreflectors

Science.gov (United States)

Ciocci, Emanuele; Martini, Manuele; Contessa, Stefania; Porcelli, Luca; Mastrofini, Marco; Currie, Douglas; Delle Monache, Giovanni; Dell'Agnello, Simone

2017-09-01

Starting from 1969, Lunar Laser Ranging (LLR) to the Apollo and Lunokhod Cube Corner Retroreflectors (CCRs) provided several tests of General Relativity (GR). When deployed, the Apollo/Lunokhod CCRs design contributed only a negligible fraction of the ranging error budget. Today the improvement over the years in the laser ground stations makes the lunar libration contribution relevant. So the libration now dominates the error budget limiting the precision of the experimental tests of gravitational theories. The MoonLIGHT-2 project (Moon Laser Instrumentation for General relativity High-accuracy Tests - Phase 2) is a next-generation LLR payload developed by the Satellite/lunar/GNSS laser ranging/altimetry and Cube/microsat Characterization Facilities Laboratory (SCF _ Lab) at the INFN-LNF in collaboration with the University of Maryland. With its unique design consisting of a single large CCR unaffected by librations, MoonLIGHT-2 can significantly reduce error contribution of the reflectors to the measurement of the lunar geodetic precession and other GR tests compared to Apollo/Lunokhod CCRs. This paper treats only this specific next-generation lunar laser retroreflector (MoonLIGHT-2) and it is by no means intended to address other contributions to the global LLR error budget. MoonLIGHT-2 is approved to be launched with the Moon Express 1(MEX-1) mission and will be deployed on the Moon surface in 2018. To validate/optimize MoonLIGHT-2, the SCF _ Lab is carrying out a unique experimental test called SCF-Test: the concurrent measurement of the optical Far Field Diffraction Pattern (FFDP) and the temperature distribution of the CCR under thermal conditions produced with a close-match solar simulator and simulated space environment. The focus of this paper is to describe the SCF _ Lab specialized characterization of the performance of our next-generation LLR payload. While this payload will improve the contribution of the error budget of the space segment (MoonLIGHT-2

The Complex Economic System of Supply Chain Financing

Science.gov (United States)

Zhang, Lili; Yan, Guangle

Supply Chain Financing (SCF) refers to a series of innovative and complicated financial services based on supply chain. The SCF set-up is a complex system, where the supply chain management and Small and Medium Enterprises (SMEs) financing services interpenetrate systematically. This paper establishes the organization structure of SCF System, and presents two financing models respectively, with or without the participation of the third-party logistic provider (3PL). Using Information Economics and Game Theory, the interrelationship among diverse economic sectors is analyzed, and the economic mechanism of development and existent for SCF system is demonstrated. New thoughts and approaches to solve SMEs financing problem are given.

A novel monoclonal antibody of human stem cell factor inhibits umbilical cord blood stem cell ex vivo expansion

Directory of Open Access Journals (Sweden)

Fan Jie

2012-12-01

Full Text Available Abstract Stem cell factor (SCF activates hematopoietic stem cell (HSC self-renewal and is being used to stimulate the ex vivo expansion of HSCs. The mechanism by which SCF supports expansion of HSCs remains poorly understood. In cord blood ex vivo expansion assays, a newly produced anti-SCF monoclonal antibody (clone 23C8 was found to significantly inhibit the expansion of CD34+ cells. This antibody appears to bind directly to a part of SCF that is critical for biological activity toward expansion of CD34+ cells, which is located in the first 104 amino acids from the NH2-terminus.

Modified Weibull theory and stress-concentration factors of polycrystalline graphite

International Nuclear Information System (INIS)

Ho, F.H.

1980-12-01

Stress concentration factors (SCF) due to geometric discontinuities in graphite specimens are observed to be much less than the theoretical SCF in an elastic material. In fact, the experimental SCF is always less than two and sometimes even less than one. A four parameter Weibull theory which recognizes the grain size effect is found to give an adequate explanation of the above observed discrepancies

Cloud-based Computing and Applications of New Snow Metrics for Societal Benefit

Science.gov (United States)

Nolin, A. W.; Sproles, E. A.; Crumley, R. L.; Wilson, A.; Mar, E.; van de Kerk, M.; Prugh, L.

2017-12-01

Seasonal and interannual variability in snow cover affects socio-environmental systems including water resources, forest ecology, freshwater and terrestrial habitat, and winter recreation. We have developed two new seasonal snow metrics: snow cover frequency (SCF) and snow disappearance date (SDD). These metrics are calculated at 500-m resolution using NASA's Moderate Resolution Imaging Spectroradiometer (MODIS) snow cover data (MOD10A1). SCF is the number of times snow is observed in a pixel over the user-defined observation period. SDD is the last date of observed snow in a water year. These pixel-level metrics are calculated rapidly and globally in the Google Earth Engine cloud-based environment. SCF and SDD can be interactively visualized in a map-based interface, allowing users to explore spatial and temporal snowcover patterns from 2000-present. These metrics are especially valuable in regions where snow data are sparse or non-existent. We have used these metrics in several ongoing projects. When SCF was linked with a simple hydrologic model in the La Laguna watershed in northern Chile, it successfully predicted summer low flows with a Nash-Sutcliffe value of 0.86. SCF has also been used to help explain changes in Dall sheep populations in Alaska where sheep populations are negatively impacted by late snow cover and low snowline elevation during the spring lambing season. In forest management, SCF and SDD appear to be valuable predictors of post-wildfire vegetation growth. We see a positive relationship between winter SCF and subsequent summer greening for several years post-fire. For western US winter recreation, we are exploring trends in SDD and SCF for regions where snow sports are economically important. In a world with declining snowpacks and increasing uncertainty, these metrics extend across elevations and fill data gaps to provide valuable information for decision-making. SCF and SDD are being produced so that anyone with Internet access and a Google

SWNT Composite Fibers (SCF)

National Research Council Canada - National Science Library

Tour, James M; Kobashi, Kazufumi; Chen, Zheyi; Lomeda, Jay; Rauwald, Urs; Azad, Samina; Hwang, Wen-Fang

2008-01-01

.... Copolymerization of short (avg. length 60 nm) carboxylic acid functionalized SWNTs with PBO oligomers was successfully carried out in a mixed solvent of polyphosphoric acid and methanesulfonic acid (MSA...

Spatial correlation in 3D MIMO channels using fourier coefficients of power spectrums

KAUST Repository

Nadeem, Qurrat-Ul-Ain

2015-03-01

In this paper, an exact closed-form expression for the Spatial Correlation Function (SCF) is derived for the standardized three-dimensional (3D) multiple-input multiple-output (MIMO) channel. This novel SCF is developed for a uniform linear array of antennas with non-isotropic antenna patterns. The proposed method resorts to the spherical harmonic expansion (SHE) of plane waves and the trigonometric expansion of Legendre and associated Legendre polynomials to obtain a closed-form expression for the SCF for arbitrary angular distributions and antenna patterns. The resulting expression depends on the underlying angular distributions and antenna patterns through the Fourier Series (FS) coefficients of power azimuth and elevation spectrums. The novelty of the proposed method lies in the SCF being valid for any 3D propagation environment. Numerical results validate the proposed analytical expression and study the impact of angular spreads on the correlation. The derived SCF will help evaluate the performance of correlated 3D MIMO channels in the future. © 2015 IEEE.

The Relationship Between Serum Endocan Levels With the Presence of Slow Coronary Flow: A Cross-Sectional Study.

Science.gov (United States)

Kundi, Harun; Gok, Murat; Kiziltunc, Emrullah; Topcuoglu, Canan; Cetin, Mustafa; Cicekcioglu, Hulya; Ugurlu, Burcu; Ulusoy, Feridun Vasfi

2017-07-01

The aim of this study was to investigate the relationship between endocan levels with the presence of slow coronary flow (SCF). In this cross-sectional study, a total of 88 patients, who admitted to our hospital, were included in this study. Of these, 53 patients with SCF and 35 patients with normal coronary flow were included in the final analysis. Coronary flow rates of all patients were determined by the Timi Frame Count (TFC) method. In correlation analysis, endocan levels revealed a significantly positive correlation with high sensitive C-reactive protein and corrected TFC. In multivariate logistic regression analysis, the endocan levels were found as independently associated with the presence of SCF. Finally, using a cutoff level of 2.3, endocan level predicted the presence of SCF with a sensitivity of 77.2% and specificity of 75.2%. In conclusion, our study showed that higher endocan levels were significantly and independently related to the presence of SCF.

Effects of stem cell factor on hypoxia-inducible factor 1 alpha accumulation in human acute myeloid leukaemia and LAD2 mast cells.

Directory of Open Access Journals (Sweden)

Bernhard F Gibbs

Full Text Available Stem cell factor (SCF is a hematopoietic growth factor that exerts its activity by signalling through the tyrosine kinase receptor known as Kit or CD117. SCF-Kit signalling is crucial for the survival, proliferation and differentiation of hematopoietic cells of myeloid lineage. Furthermore, since myeloid leukaemia cells express the Kit receptor, SCF may play an important role in myeloid leukaemia progression too. However, the mechanisms of this pathophysiological effect remain unclear. Recent evidence shows that SCF triggers accumulation of the inducible alpha subunit of hypoxia-inducible factor 1 (HIF-1 in hematopoietic cells--a transcription complex that plays a pivotal role in cellular adaptation to low oxygen availability. However, it is unknown how SCF impacts on HIF-1α accumulation in human myeloid leukaemia and mast cells. Here we show that SCF induces HIF-1α accumulation in THP-1 human myeloid leukaemia cells but not in LAD2 mast cells. We demonstrated that LAD2 cells have a more robust glutathione (GSH-dependent antioxidative system compared to THP-1 cells and are therefore protected against the actions of ROS generated in an SCF-dependent manner. BSO-induced GSH depletion led to a significant decrease in HIF-1α prolyl hydroxylase (PHD activity in THP-1 cells and to near attenuation of it in LAD2 cells. In THP-1 cells, SCF-induced HIF-1α accumulation is controlled via ERK, PI3 kinase/PKC-δ/mTOR-dependent and to a certain extent by redox-dependent mechanisms. These results demonstrate for the first time an important cross-talk of signalling pathways associated with HIF-1 activation--an important stage of the myeloid leukaemia cell life cycle.

Metodología de diseño para la recogida de residuos sólidos urbanos mediante factores punta de generación: sistemas de caja fija (SCF

Directory of Open Access Journals (Sweden)

Carlos Alfonso Zafra Mejía

2009-05-01

Full Text Available El desarrollo económico y de la sociedad de consumo implica una gran producción de residuos sólidos en una localidad, hecho que se constituye en un serio problema ambiental si no se cuenta con la infraestructura adecuada para su gestión integral. En este artículo se presenta un desarrollo metodológico para el diseño de la recogida de residuos sólidos urbanos con sistemas de caja fija (SCF, considerando la variación temporal en las cantidades generadas y recolectadas. La variación temporal se ha in- cluido mediante el análisis de tres factores punta de generación: coeficiente punta semanal (Cps, coeficiente punta diario (Cpd y coeficiente punta diario de distribución heterogénea (Cpdh. Esta consideración temporal permite realizar diseños razonables que se ajusten a las tasas máximas de generación y recolección. El modelo propuesto considera la producción per cápita (PPC, el coeficiente punta semanal (Cps y el coeficiente punta de distribución heterogénea (Cpdh. Finalmente, la metodología pro- puesta puede ser utilizada para la selección del equipamiento y tamaño de las unidades de gestión integral de los residuos sóli- dos urbanos.

Electron affinities: theoretical

International Nuclear Information System (INIS)

Kaufman, J.J.

1976-01-01

A brief description is given of the conceptual background and formalism of the various ab-initio and semi-ab-initio quantum computational techniques for calculating atomic and molecular electron affinities: Hartree--Fock--Roothaan SCF, configuration interaction (CI), multiconfiguration SCF (MC-SCF), Bethe--Goldstone, superposition of configurations (SOC), ab-initio effective core model potentials, Xα-MS, plus other less common methods. Illustrative and comparative examples of electron affinities calculated by these various methods are presented

Electronic structure of Ge-2 and Ge-2 and thermodynamic properties of Ge-2 from all electron ab initio investigations and Knudsen effusion mass spectroscopic measurements

DEFF Research Database (Denmark)

Shim, Irene; Baba, M. Sai; Gingerich, K.A.

2002-01-01

The low-lying states of the molecule Ge-2 and of the ion Ge-2(-) have been investigated by all electron ab initio multiconfiguration self-consistent field (CASSCF) and multi-reference configuration interaction (MRCI) calculations. The relativistic corrections for the Darwin contact term and for t......The low-lying states of the molecule Ge-2 and of the ion Ge-2(-) have been investigated by all electron ab initio multiconfiguration self-consistent field (CASSCF) and multi-reference configuration interaction (MRCI) calculations. The relativistic corrections for the Darwin contact term...... excited states are presented. Thermal functions based on the theoretically determined molecular parameters were used to derive the thermodynamic properties of the Ge-2 molecule from new mass spectrometric equilibrium data. The literature value for the dissociation energy of Ge-2 has been re...

Efficient secure-channel free public key encryption with keyword search for EMRs in cloud storage.

Science.gov (United States)

Guo, Lifeng; Yau, Wei-Chuen

2015-02-01

Searchable encryption is an important cryptographic primitive that enables privacy-preserving keyword search on encrypted electronic medical records (EMRs) in cloud storage. Efficiency of such searchable encryption in a medical cloud storage system is very crucial as it involves client platforms such as smartphones or tablets that only have constrained computing power and resources. In this paper, we propose an efficient secure-channel free public key encryption with keyword search (SCF-PEKS) scheme that is proven secure in the standard model. We show that our SCF-PEKS scheme is not only secure against chosen keyword and ciphertext attacks (IND-SCF-CKCA), but also secure against keyword guessing attacks (IND-KGA). Furthermore, our proposed scheme is more efficient than other recent SCF-PEKS schemes in the literature.

Tectonic and sedimentary inheritance on the structural framework of Provence (SE France): Importance of the Salon-Cavaillon fault

Science.gov (United States)

Molliex, Stéphane; Bellier, Olivier; Terrier, Monique; Lamarche, Juliette; Martelet, Guillaume; Espurt, Nicolas

2011-03-01

Using field data, balanced cross-sections, gravity and reprocessed seismic reflection data, a detailed structural study has been realized on the Salon-Cavaillon fault (SCF) area, in Provence region (SE France). This fault separates two main ridges (the Alpilles to the west and the Luberon to the east). Field data and balanced cross-sections allow us to characterize the present-day structures and the post-Oligocene deformation that significantly differ on either sides of the SCF. Our structural study shows a post-Oligocene southward displacement of the structures on the two sides of the SCF. The Luberon ridge is a fault propagation-fold developed on a S-verging ramp. The anticline is bent as a drag fold in the vicinity of the dextral strike-slip SCF. The Alpilles ridge is a less developed fault propagation fold. Its eastern termination was affected by a counter-clockwise rigid block rotation around a vertical axis. The differences between the two ridges in terms of structural architecture are explained by the deep geometry of their ramp, inherited from the Late Cretaceous to Middle Eocene Pyrenean tectonic phase. The décollement level is shallow to the western side of the SCF (2-3 km), probably in the Lower Cretaceous or Upper Jurassic marls, than in the eastern side, the fault is rooted in Triassic layers at a depth > 5 km. The deep rooting favoured a large-scale fault propagation type of folding, whereas shallow-seated rooting favoured a small-scale fault propagation type of folding and block rotations. To image the sub-surface structures to the west of the SCF, we also included gravity data and reprocessed seismic reflection. It allows us to refine the regional tectonic framework and to detect several hidden E-trending S-verging folds. The main shortening episode in Provence occurred during the Pyrenean phase, with 65% of the total shortening to the east of the SCF and 95% to the west. From the Miocene to the present, Alpine shortening decreases strongly to the

Laser Spectroscopy and AB Initio Calculations on the TaF Molecule

Science.gov (United States)

Ng, Kiu Fung; Zou, Wenli; Liu, Wenjian; Cheung, Allan S. C.

2016-06-01

Electronic transition spectrum of the tantalum monoflouride (TaF) molecule in the spectral region between 448 and 520 nm has been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. TaF molecule was produced by reacting laser-ablated tantalum atoms with sulfur hexafluoride gas seeded in argon. Sixteen vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into six electronic transition systems and the ground state has been identified to be the X3Σ-(0+) state with bond length, ro, and equilibrium vibrational frequency, ωe, determined to be 1.8209 Å and 700.1 wn respectively. In addition, four vibrational bands belong to another transition system involving lower state with Ω = 2 component has also been analyzed. All observed transitions are with ΔΩ = 0. Least-squares fit of the measured line positions yielded molecular constants for the electronic states involved. The Λ-S and Ω states of TaF were calculated at the state-averaged complete active space self-consistent field (SA-CASSCF) and the subsequent internally contracted multi-reference configuration interaction with singles and doubles and Davidson's cluster correction (MRCISD+Q) levels of theory with the active space of 4 electrons in 6 orbitals, that is, the molecular orbitals corresponding to Ta 5d6s are active. The spin-orbit coupling (SOC) is calculated by the state-interaction approach at the SA-CASSCF level via the relativistic effective core potentials (RECPs) spin-orbit operator, where the diagonal elements of the spin-orbit matrix are replaced by the above MRCISD+Q energies. The spectroscopic properties of the ground and many low-lying electronic states of the TaF molecule will be reported. With respect to the observed electronic states in this work, the calculated results are in good agreement with our experimental determinations. This work represents the first experimental

High-level expression of human stem cell factor fused with erythropoietin mimetic peptide in Escherichia coli.

Science.gov (United States)

Su, Lin; Chen, Song-Sen; Yang, Ke-Gong; Liu, Chang-Zheng; Zhang, Yan-Li; Liang, Zhi-Quan

2006-06-01

Stem cell factor (SCF) and erythropoietin are essential for normal erythropoiesis and induce proliferation and differentiation synergistically for erythroid progenitor cells. Here, we report our work on construction of SCF/erythropoietin mimetic peptide (EMP) fusion protein gene, in which human SCF cDNA (1-165aa) and EMP sequence (20aa) were connected using a short (GGGGS) or long (GGGGSGGGGGS) linker sequence. The SCF/EMP gene was cloned into the pBV220 vector and expressed in the Escherichia coli DH5alpha strain. The expression level of the fusion protein was about 30% of total cell protein. The resulting inclusion bodies were solubilized with 8 M urea, followed by dilution refolding. The renatured protein was subsequently purified by Q-Sepharose FF column. The final product was >95% pure by SDS-PAGE and the yield of fusion protein was about 40 mg/L of culture. UT-7 cell proliferation and human cord blood cell colony-forming assays showed that the fusion proteins exhibited more potent activity than recombinant human SCF, suggesting a new strategy to enhance biological activities of growth factors.

Subcritical Fluid Extraction of Chinese Quince Seed: Optimization and Product Characterization.

Science.gov (United States)

Wang, Li; Wu, Min; Liu, Hua-Min; Ma, Yu-Xiang; Wang, Xue-De; Qin, Guang-Yong

2017-03-25

Chinese quince seed (CQS) is an underutilized oil source and a potential source of unsaturated fatty acids and α-tocopherol-rich oil. Subcritical fluid (SCF) extraction is executed at lower pressures and temperatures than the pressures and temperatures used in supercritical fluid extraction. However, no studies on the SCF extraction of CQS oil are reported. Therefore, the objective of this study was to evaluate the use of SCF for the extraction of CQS oil and to compare the use of SCF with the classical Soxhlet (CS) and supercritical CO₂ (SC-CO₂) extraction methods. Response surface methodology (RSM) was used to investigate the extraction conditions: temperature (45-65 °C), time (30-50 min), and solvent/solid ratio (5-15 mL/g). The optimization results showed that the highest yield (27.78%) was obtained at 56.18 °C, 40.20 min, and 12.57 mL/g. The oil extracted by SCF had a higher unsaturated fatty acid content (86.37%-86.75%), higher α-tocopherol content (576.0-847.6 mg/kg), lower acid value (3.97 mg/g), and lower peroxide value (0.02 meq O₂/kg) than extractions using CS and SC-CO 2 methods. The SCF-defatted meal of oilseed exhibited the highest nitrogen solubility index (49.64%) and protein dispersibility index (50.80%), demonstrating that SCF extraction was a promising and efficient technique as an alternative to CS and SC-CO 2 methods, as very mild operating conditions and an eco-friendly solvent can be used in the process with maximum preservation of the quality of the meal.

Fps/Fes protein-tyrosine kinase regulates mast cell adhesion and migration downstream of Kit and beta1 integrin receptors.

Science.gov (United States)

Smith, Julie A; Samayawardhena, Lionel A; Craig, Andrew W B

2010-03-01

Activation of Kit receptor protein-tyrosine kinase (PTK) by its ligand Stem Cell Factor (SCF) is required for the development of mast cells, and for the regulation of mast cell proliferation, migration and modulation of inflammatory mediator release. Recent studies have implicated the non-receptor PTK Fps/Fes (hereafter referred to as Fes) in signaling downstream of oncogenic Kit, however, the potential role of Fes in regulating Kit signaling is not well defined. In this study, we show that SCF induces transient tyrosine phosphorylation of wild-type Fes as well as kinase-dead Fes in bone marrow-derived mast cells (BMMCs). The latter finding implicates an upstream kinase acting on Fes, which we identified as Fyn PTK. SCF treatment of BMMCs promoted recruitment of Fes to Kit, potentially via direct interaction of the Fes SH2 domain with phosphorylated Kit. While Fes was not required for SCF-induced signaling to Akt and Erk kinases, Fes-deficient (fes-/-) BMMCs displayed a defect in sustained p38 kinase activation, compared to control cells. SCF-treated Fes-deficient BMMCs also displayed elevated beta1 integrin-mediated cell adhesion and spreading on fibronectin, compared to control cells, and a reduction in cell polarization at later times of SCF treatment. Restoring Fes expression in fes-/- BMMCs by retroviral transduction was sufficient to rescue cell spreading and polarization defects. Interestingly, SCF-induced chemotaxis of BMMCs was also defective in Fes-deficient BMMCs, and restored in Fes-rescue BMMCs. Overall, these results implicate Fes in regulating cross-talk between Kit and beta1 integrins to promote cytoskeletal reorganization and motility of mast cells.

Lubricating-cooling fluid for machining of ceramic items

Energy Technology Data Exchange (ETDEWEB)

Revenko, Yu M; Karulov, A K; Maskayev, A K; Pedan, V P; Rumyantseva, T A

1982-01-01

Ammonium fluosilicate (I), hexamethylene tetramine (II), synthetic soap and air are added to the known lubricant-cooling fluid for machining of ceramic items in order to improve sanitary-hygienic properties of the SCF. The ratio of components is %: tetraborate of Na 0.1-0.3; tripolyphosphate of Na 0.05-0.2; triethanolamine 0.1-0.3; boric acid 0.6-1.0; I 0.003-0.008, II 0.003-0.008; SMS 0.02-0.05; air 0.005-0.002 and water the rest. The proposed SCF is prepared by mixing all the components in water at room temperature and careful mixing until complete dissolving. Tests were done on the machine EV642 equipped with a system of feeding the SCF into the cutting zone. Treatment of the nonresharpened plates made of oxide-carbide ceramics VOK-60 on the support surfaces is done with the help of a dish circle ACV 80/63 B2-100 with cross section 0.05 mm/double course. The irregularity is measured by the profile meter-profilogram. The SCF is fed into the cutting zone by -sprinkling. It is indicated that the proposed SCF guarantees production of higher technical-economic indicators: it improves wear stability of the diamond circles on the average by 30-40%; the irregularity of the treated surfaces improved by one class. In addition, because of changing the HF with its salts, the SCF does not cause irritation to the skin. The SCF is protected well from sludge, does not corrode the equipment, is easily washed off from the finished part by water at room temperature.

MOONLIGHT: A NEW LUNAR LASER RANGING RETROREFLECTOR AND THE LUNAR GEODETIC PRECESSION

Directory of Open Access Journals (Sweden)

M. Martini

2013-12-01

Full Text Available Since the 1970s Lunar Laser Ranging (LLR to the Apollo Cube Corner Retroreflector (CCR arrays (developed by the University of Maryland, UMD supplied almost all significant tests of General Relativity (Alley et al., 1970; Chang et al., 1971; Bender et al.,1973: possible changes in the gravitational constant, gravitational self-energy, weak equivalence principle, geodetic precession, inverse-square force-law. The LNF group, in fact, has just completed a new measurement of the lunar geodetic precession with Apollo array, with accuracy of 9 × 10−3, comparable to the best measurement to date. LLR has also provided significant information on the composition and origin of the moon. This is the only Apollo experiment still in operation. In the 1970s Apollo LLR arrays contributed a negligible fraction of the ranging error budget. Since the ranging capabilities of ground stations improved by more than two orders of magnitude, now, because of the lunar librations, Apollo CCR arrays dominate the error budget. With the project MoonLIGHT (Moon Laser Instrumentation for General relativity High-accuracy Tests, in 2006 INFN-LNF joined UMD in the development and test of a new-generation LLR payload made by a single, large CCR (100mm diameter unaffected by the effect of librations. With MoonLIGHT CCRs the accuracy of the measurement of the lunar geodetic precession can be improved up to a factor 100 compared to Apollo arrays. From a technological point of view, INFN-LNF built and is operating a new experimental apparatus (Satellite/lunar laser ranging Characterization Facility, SCF and created a new industry-standard test procedure (SCF-Test to characterize and model the detailed thermal behavior and the optical performance of CCRs in accurately laboratory-simulated space conditions, for industrial and scientific applications. Our key experimental innovation is the concurrent measurement and modeling of the optical Far Field Diffraction Pattern (FFDP and the

Biostratigraphic reappraisal of the Lower Triassic Sanga do Cabral Supersequence from South America, with a description of new material attributable to the parareptile genus Procolophon

Science.gov (United States)

Dias-da-Silva, Sérgio; Pinheiro, Felipe L.; Stock Da-Rosa, Átila Augusto; Martinelli, Agustín G.; Schultz, Cesar L.; Silva-Neves, Eduardo; Modesto, Sean P.

2017-11-01

The Sanga do Cabral Supersequence (SCS), comprises the Brazilian Sanga do Cabral Formation (SCF) and the Uruguayan Buena Vista Formation (BVF). So far, the SCS has yielded temnospondyls, parareptiles, archosauromorphs, putative synapsids, and a number of indeterminate specimens. In the absence of absolute dates for these rocks, a biostratigraphic approach is necessary to establish the ages of the SCF and the BVF. It is well established that the SCF is Early Triassic mainly due to the presence of the widespread Gondwanan reptile Procolophon trigoniceps. Conversely, the age of the BVF is subject of great controversy, being regarded alternatively as Permian, Permo-Triassic, and Early Triassic. The BVF has yielded the definite procolophonid Pintosaurus magnidentis. Procolophonoidea is one of the most diverse and conspicuous terrestrial tetrapod groups of the Lower Triassic Lystrosaurus Assemblage Zone in the Karoo Basin of South Africa, which preserves tetrapods from the aftermath of the end-Permian extinction event. Based on a previous interpretation that the fauna of the BVF is Permian, and in the reinterpretation of disarticulated vertebrae from SCF with 'swollen' neural arches as belonging to either seymouriamorphs or diadectomorphs, it was recently suggested that at least part of the SCF is Permian in age, which prompted this comprehensive reevaluation of both SCS's faunal content and geology. Moreoever, new, strikingly large procolophonid specimens (skull, vertebra, and a mandibular fragment) from the SCF are described and referred to the genus Procolophon. The large procolophonid vertebra described here contradicts the recent hypothesis that similar specimens from the SCF belong to seymouriamorphs or diadectomorphs, because its morphology is consistent with that found in Procolophon. There is not a single diagnostic specimen that supports the inference of Permian levels in the SCS. Accordingly, because all diagnostic and biostratigraphically informative fossils

A Theoretical Study of the Photodissociation Mechanism of Cyanoacetylene in Its Lowest Singlet and Triplet Excited States

Science.gov (United States)

Luo, Cheng; Du, Wei-Na; Duan, Xue-Mei; Li, Ze-Sheng

2008-11-01

Cyanoacetylene (H5-C4 ≡ C3-C2 ≡ N1) is a minor constituent of the atmosphere of Titan, and its photochemistry plays an important role in the formation of the haze surrounding the satellite. In this paper, the complete active space self-consistent field (CASSCF) and multiconfigurational second-order perturbation (CASPT2) approaches are employed to investigate the photochemical processes for cyanoacetylene in its first singlet and triplet excited states with the cc-pVTZ basis set. Fissions of the C4-H5 and C2-C3 bonds in S1 yield H(2S) + CCCN(A2Π) and HCC(A2Π) + CN(X2Σ+), respectively. In T1, the corresponding dissociation products are H(2S) + CCCN(X2Σ+) and HCC(X2Σ) + CN(X2Σ+). At the CASPT2(14,13)//CASSCF(14,13) + ZPE level, the barriers for the adiabatic dissociation of the C4-H5 and C2-C3 bonds are 6.11 and 6.94 eV in S1 and 5.71 and 6.39 eV in T1, respectively, taking the energy of S0 minimum as reference. Based on the calculated potential energy surfaces, the existence of a metastable excited molecule is anticipated upon 260-230 nm photoexcitation, which provides a probable approach for cyanoacetylene to polymerize. The internal conversion (IC) process through vibronic interaction followed by C4-H5 fission in the ground state is found to account for the observed diffuse character in the UV absorption spectrum below 240 nm.

Initial mechanisms for the decomposition of electronically excited energetic materials: 1,5′-BT, 5,5′-BT, and AzTT

International Nuclear Information System (INIS)

Yuan, Bing; Yu, Zijun; Bernstein, Elliot R.

2015-01-01

Decomposition of nitrogen-rich energetic materials 1,5′-BT, 5,5′-BT, and AzTT (1,5′-Bistetrazole, 5,5′-Bistetrazole, and 5-(5-azido-(1 or 4)H-1,2,4-triazol-3-yl)tetrazole, respectively), following electronic state excitation, is investigated both experimentally and theoretically. The N 2 molecule is observed as an initial decomposition product from the three materials, subsequent to UV excitation, with a cold rotational temperature (<30 K). Initial decomposition mechanisms for these three electronically excited materials are explored at the complete active space self-consistent field (CASSCF) level. Potential energy surface calculations at the CASSCF(12,8)/6-31G(d) level illustrate that conical intersections play an essential role in the decomposition mechanism. Electronically excited S 1 molecules can non-adiabatically relax to their ground electronic states through (S 1 /S 0 ) CI conical intersections. 1,5′-BT and 5,5′-BT materials have several (S 1 /S 0 ) CI conical intersections between S 1 and S 0 states, related to different tetrazole ring opening positions, all of which lead to N 2 product formation. The N 2 product for AzTT is formed primarily by N–N bond rupture of the –N 3 group. The observed rotational energy distributions for the N 2 products are consistent with the final structures of the respective transition states for each molecule on its S 0 potential energy surface. The theoretically derived vibrational temperature of the N 2 product is high, which is similar to that found for energetic salts and molecules studied previously

Stem cell factor induces phosphatidylinositol 3'-kinase-dependent Lyn/Tec/Dok-1 complex formation in hematopoietic cells

NARCIS (Netherlands)

T.B. van Dijk (Thamar); M. Parren-Van Amelsvoort (Martine); H. Mano; M.M. von Lindern (Marieke); B. Löwenberg (Bob); E. van den Akker (Emile)

2000-01-01

textabstractStem cell factor (SCF) has an important role in the proliferation, differentiation, survival, and migration of hematopoietic cells. SCF exerts its effects by binding to cKit, a receptor with intrinsic tyrosine kinase activity. Activation of

The role of the Salon-Cavaillon fault in the structural framework of Provence region (SE France)

Science.gov (United States)

Molliex, Stéphane; Bellier, Olivier; Terrier, Monique; Lamarche, Juliette; Martelet, Guillaume; Espurt, Nicolas

2010-05-01

The Provence region is located in the South-East France Basin, in the foreland domain of the Pyrenean and the Alpine mountain belts. The structural pattern of Provence is characterized by W-trending ramp anticlines and N- to NE-trending oblique reverse strike-slip faults. It results from the superimposition of Pyrenean (late Cretaceous to Eocene) and Alpine (Miocene to present-day) compressional tectonic regimes. In addition, extensional tectonics affected the region during Oligocene (W to NW-trending σ3). The Salon-Cavaillon strike-slip fault (SCF) separates two main E-trending ridges (Alpilles to the West and Luberon to the East). A structural study has been realized in order to characterize the post-Oligocene deformation of this domain. Field data and balanced cross-sections show that the post-Oligocene deformation drastically differs on both sides of the SCF. The Luberon ridge results from a fault propagation-fold developed on a S-verging ramp. Laterally, the western anticline termination is bended as a drag fold along the SCF. The Alpilles ridge results from a less developed fault propagation fold. Its eastern termination was affected by a rigid counter-clockwise rotation around a vertical axis, driven by a major curved right- lateral fault. In addition, we integrated gravity data and reprocessed seismic reflection sections to image the sub-surface structures to the West of the SCF at a larger scale. It permits to precise the regional tectonic framework in term of structure and chronology and to detect several hidden E-trending S-verging ramp anticline. The main shortening episode in Provence occurred during pyreneo-provençal phase from Late Cretaceous to Eocene, with 65 % of the total shortening to the East of the SCF and 95 % to the West. Alpine (Miocene to Present-day) shortening differs drastically on both sides of the SCF (2 km of shortening to the East, for less than 0.4 km to the West). This underlines the major role of the SCF in the transfer of

Determinants of Debt: An Econometric Analysis Based on the Cyprus Survey of Consumer Finances

Directory of Open Access Journals (Sweden)

Michalis Petrides

2008-03-01

Full Text Available This work is based on the Cyprus Survey of Consumer Finances (CySCF and focuses on the investigation of home secured loans and consumer credit card outstanding balances among Cypriot families. The CySCF runs on a triennial basis with the first database created in 1999 (CySCF1999. According to CySCF1999 and CySCF2002, the overall participation in home secured debt among all families declined from 29.95% in 1999 and 29.77% in 2002 to 25.77% in 2005 (CySCF2005. Credit cards were introduced in the early 1980s and grew significantly during the 1990s. The overall percentage of Cypriot households holding credit cards is estimated at 41.7% for 1999, 50% for 2002, and 48% for 2005. This work deals with the econometric analysis of home secured loans and consumer credit card outstanding balances and it provides results based on logit models. The main variables selected for home secured loans are the age, family status, specific attitude toward credit, employment status, and income. The resulting model exhibits a polynomial behaviour of degree two with respect to age. The main variables for consumer credit card balances are the age, education, general attitude, income code, home secured loans and riskiness. Worth noting is the high probability of having credit card balances for those households where the economically dominant unit is of low age with a positive attitude towards credit.

Three Dimensional Parametric Analyses of Stress Concentration Factor and Its Mitigation in Isotropic and Orthotropic Plate with Central Circular Hole Under Axial In-Plane Loading

Science.gov (United States)

Nagpal, Shubhrata; Jain, Nitin Kumar; Sanyal, Shubhashis

2016-01-01

The problem of finding the stress concentration factor of a loaded rectangular plate has offered considerably analytical difficulty. The present work focused on understanding of behavior of isotropic and orthotropic plate subjected to static in-plane loading using finite element method. The complete plate model configuration has been analyzed using finite element method based software ANSYS. In the present work two parameters: thickness to width of plate (T/A) and diameter of hole to width of plate (D/A) have been varied for analysis of stress concentration factor (SCF) and its mitigation. Plates of five different materials have been considered for complete analysis to find out the sensitivity of stress concentration factor. The D/A ratio varied from 0.1 to 0.7 for analysis of SCF and varied from 0.1 to 0.5 for analyzing the mitigation of SCF. 0.01, 0.05 and 0.1 are considered as T/A ratio for all the cases. The results are presented in graphical form and discussed. The mitigation in SCF reported is very encouraging. The SCF is more sensitive to D/A ratio as compared to T/A.

Delta self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

DEFF Research Database (Denmark)

Gavnholt, Jeppe; Olsen, Thomas; Engelund, Mads

2008-01-01

is a density-functional method closely resembling standard density-functional theory (DFT), the only difference being that in Delta SCF one or more electrons are placed in higher lying Kohn-Sham orbitals instead of placing all electrons in the lowest possible orbitals as one does when calculating the ground......-state energy within standard DFT. We extend the Delta SCF method by allowing excited electrons to occupy orbitals which are linear combinations of Kohn-Sham orbitals. With this extra freedom it is possible to place charge locally on adsorbed molecules in the calculations, such that resonance energies can...... be estimated, which is not possible in traditional Delta SCF because of very delocalized Kohn-Sham orbitals. The method is applied to N2, CO, and NO adsorbed on different metallic surfaces and compared to ordinary Delta SCF without our modification, spatially constrained DFT, and inverse...

All-electron ab initio investigations of the electronic states of the NiC molecule

DEFF Research Database (Denmark)

Shim, Irene; Gingerich, Karl. A.

1999-01-01

The low-lying electronic states of NiC are investigated by all-electron ab initio multi-configuration self-consistent-field (CASSCF) calculations including relativistic corrections. The electronic structure of NiC is interpreted as perturbed antiferromagnetic couplings of the localized angular...

Space space space

CERN Document Server

Trembach, Vera

2014-01-01

Space is an introduction to the mysteries of the Universe. Included are Task Cards for independent learning, Journal Word Cards for creative writing, and Hands-On Activities for reinforcing skills in Math and Language Arts. Space is a perfect introduction to further research of the Solar System.

All electron ab initio investigations of the electronic states of the FeC molecule

DEFF Research Database (Denmark)

Shim, Irene; Gingerich, Karl A.

1999-01-01

The low lying electronic states of the molecule FeC have been investigated by performing all electron ab initio multi-configuration self-consistent-field (CASSCF) and multi reference configuration interaction (MRCI) calculations. The relativistic corrections for the one electron Darwin contact term...

All Electron ab initio Investigations of the Electronic States of the MoN Molecule

DEFF Research Database (Denmark)

Shim, Irene; Gingerich, Karl A.

1999-01-01

The low lying electronic states of the molecule MoN have been investigated by performing all electron ab initio multi-configuration self-consistent-field (CASSCF) calculations. The relativistic corrections for the one electron Darwin contact term and the relativistic mass-velocity correction have...

Study of the level of stem cell factor in patients with bronchial asthma

Directory of Open Access Journals (Sweden)

Ahmad Gouda El-Gazzar

2016-01-01

Conclusion: This study demonstrated that the serum level of SCF was higher in asthmatic patients especially among eosinophilic phenotype than among healthy control subjects. Also there was a significant association between higher SCF and higher levels of asthma severity, sputum and blood eosinophil%.

Leukemic transformation of normal murine erythroid progenitors: v- and c-ErbB act through signaling pathways activated by the EpoR and c-Kit in stress erythropoiesis

NARCIS (Netherlands)

von Lindern, M.; Deiner, E. M.; Dolznig, H.; Parren-van Amelsvoort, M.; Hayman, M. J.; Mullner, E. W.; Beug, H.

2001-01-01

Primary erythroid progenitors can be expanded by the synergistic action of erythropoietin (Epo), stem cell factor (SCF) and glucocorticoids. While Epo is required for erythropoiesis in general, glucocorticoids and SCF mainly contribute to stress erythropoiesis in hypoxic mice. This ability of normal

Theoretical research relating to excitation spectrum of furan. Application of integral direct coupled cluster linear response (direct CCLR) method; Furan no reiki supekutoru ni kansuru ronriteki kenkyu. Integral-direct Coupled Cluster Linear Response (direct CCLR) ho no tekiyo

Energy Technology Data Exchange (ETDEWEB)

Shigemitsu, Yasuhiro. [Nagasaki Industrial Technology Center, Nagasaki (Japan)

1999-07-01

heoretical researches relating to excitation spectrum of furan have been carried out for many years, and they reveal the problems that should be solved in order to predict highly reliable excitation energy. In general, it is difficult to uniformly obtain highly reliable calculation results for all excitation states since different excitation states show different electronic correlative effects. Means for obtaining the electron states in ground state and excited state and calculating the energy difference thereof is the mainstream of the theoretical calculation of the excitation energy. CASSCF/CASPT 2 developed by Roos et al. is a typical method excellent in quantitative description. Recently, the comparison between direct CCLR and CASSCF/CASPT 2 as examples for calculating the excitation spectrum of furan was carried out by using the same ground function. For Rydberg excitation, CC3, CAS, CASPT 2 show good agreement with each other. (NEDO)

Tissue content of sulfomucins and sialomucins in the colonic mucosa, without fecal stream, undergoing daily intervention with sucralfate.

Science.gov (United States)

Bonassa, Christiny Emmanuelle Gabriel; Pereira, José Aires; Campos, Fábio Guilherme Caserta Maryssael de; Rodrigues, Murilo Rocha; Sato, Daniela Tiemi; Chaim, Felipe David Mendonça; Martinez, Carlos Augusto Real

2015-05-01

To measure the content of acidic mucin, sialomucin, and sulfomucins in the colonic mucosa without fecal stream submit to intervention with sucralfate (SCF). Thirty-six rats were submitted to a right colostomy and a distal mucous fistula and divided into two groups according to sacrifice to be performed two or four weeks. Each group was divided into three subgroups according daily application of enemas containing saline, SCF at 1.0 g/kg/day or 2.0 g/kg/day. Colitis was diagnosed by histological analysis. Acid mucins were determined with the Alcian-Blue and sulfomucin and sialomucin by high iron diamine-alcian blue (HID-AB) techniques. The mucins were quantified by computer-assisted image analysis. Mann-Whitney and ANOVA tests were used to analyze the results establishing the level of significance of 5% for both (p<0.05). SCF enemas decreased the inflammation score and was related to the concentration used and time of the intervention. SCF at both concentrations increased the content of acid mucin, which was related to the concentration used and to the improvement in the inflammatory score. There was an increase in the content of sulfomucins and sialomucins in SCF groups. SCF increased sulfomucins from 2 weeks of intervention, which was not related to the dose or time of application. The increase in sialomucin content was related to the time and dose used in the intervention. Sucralfate increased the content of acidic mucins, primarily at the expense of sialomucin, which was affected by the dose and time of intervention.

The effect of stem cell factor on proliferation of human endometrial CD146+ cells

Directory of Open Access Journals (Sweden)

Mehri Fayazi

2016-07-01

Full Text Available Background: Stem cell factor (SCF is a transcriptional factor which plays crucial roles in normal proliferation, differentiation and survival in a range of stem cells. Objective: The aim of the present study was to examine the proliferation effect of different concentrations of SCF on expansion of human endometrial CD146+ cells. Materials and Methods: In this experimental study, total populations of isolated human endometrial suspensions after fourth passage were isolated by magnetic activated cell sorting (MACS into CD146+ cells. Human endometrial CD146+ cells were karyotyped and tested for the effect of SCF on proliferation of CD146+ cells, then different concentrations of 0, 12.5, 25, 50 and 100 ng/ml was carried out and mitogens-stimulated endometrial CD146+ cells proliferation was assessed by MTT assay. Results: Chromosomal analysis showed a normal metaphase spread and 46XX karyotype. The proliferation rate of endometrial CD146P + P cells in the presence of 0, 12.5, 25, 50 and 100 ng/ml SCF were 0.945±0.094, 0.962±0.151, 0.988±0.028, 1.679±0.012 and 1.129±0.145 respectively. There was a significant increase in stem/ stromal cell proliferation following in vitro treatment by 50 ng/ml than other concentrations of SCF (p=0.01. Conclusion: The present study suggests that SCF could have effect on the proliferation and cell survival of human endometrial CD146P+P cells and it has important implications for medical sciences and cell therapies

The regulatory effect of SC-236 (4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1-pyrazol-1-l] benzenesulfonamide) on stem cell factor induced migration of mast cells

International Nuclear Information System (INIS)

Kim, Su-Jin; Jeong, Hyun-Ja; Park, Rae-Kil; Lee, Kang-Min; Kim, Hyung-Min; Um, Jae-Young; Hong, Seung-Heon

2007-01-01

SC-236 (4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1-pyrazol-1-]benzenesulfonamide; C 16 H 11 ClF 3 N 3 O 2 S), is a highly selective cyclooxygenase (COX)-2 inhibitor. Recently, there have been reports that SC-236 protects against cartilage damage in addition to reducing inflammation and pain in osteoarthritis. However, the mechanism involved in the inflammatory allergic reaction has not been examined. Mast cells accumulation can be related to inflammatory conditions, including allergic rhinitis, asthma, and rheumatoid arthritis. The aim of the present study is to investigate the effects of SC-236 on stem cell factor (SCF)-induced migration, morphological alteration, and cytokine production of rat peritoneal mast cells (RPMCs). We observed that SCF significantly induced the migration and morphological alteration. The ability of SCF to enhance migration and morphological alteration was abolished by treatment with SC-236. In addition, production of tumor necrosis factor (TNF)-α, interleukin (IL)-1β, and vascular endothelial growth factor (VEGF) production induced by SCF was significantly inhibited by treatment with SC-236. Previous work has demonstrated that SCF-induced migration and cytokine production of mast cells require p38 MAPK activation. We also showed that SC-236 suppresses the SCF-induced p38 MAPK activation in RPMCs. These data suggest that SC-236 inhibits migration and cytokine production through suppression of p38 MAPK activation. These results provided new insight into the pharmacological actions of SC-236 and its potential therapeutic role in the treatment of inflammatory allergic diseases

Stem cell factor stimulates chicken osteoclast activity in vitro

NARCIS (Netherlands)

van't Hof, R. J.; von Lindern, M.; Nijweide, P. J.; Beug, H.

1997-01-01

Stem cell factor (SCF) is a polypeptide growth factor active on multiple cell types, mainly of hematopoietic origin. We studied the effects of avian SCF on the differentiation of chicken osteoclasts from their putative progenitors as well as on the bone-resorbing activity of terminally

Maximising the value of supply chain finance

NARCIS (Netherlands)

Vliet, van der K.; Reindorp, M.J.; Fransoo, J.C.

2013-01-01

Supply Chain Finance (SCF) arrangements aim to add value by taking a cooperative approach to financing the supply chain. Interest in SCF has been increasing, and decision makers need a comprehensive view of possible applications and their potential. By means of theoretical and empirical exploration,

Growth Normal Faulting at the Western Edge of the Metropolitan Taipei Basin since the Last Glacial Maximum, Northern Taiwan

Directory of Open Access Journals (Sweden)

Chih-Tung Chen

2010-01-01

Full Text Available Growth strata analysis is an useful tool in understanding kinematics and the evolution of active faults as well as the close relationship between sedimentation and tectonics. Here we present the Shanchiao Fault as a case study which is an active normal fault responsible for the formation of the 700-m-thick late Quaternary deposits in Taipei Basin at the northern tip of the Taiwan mountain belt. We compiled a sedimentary record, particularly the depositional facies and their dated ages, at three boreholes (SCF-1, SCF-2 and WK-1, from west to east along the Wuku Profile that traverses the Shanchiao Fault at its central segment. By incorporating the global sea level change curve, we find that thickness changes of sediments and changes of depositional environments in the Wuku area are in a good agreement with a rapid sea level rise since the Last Glacial Maximum (LGM of about 23 ka. Combining depositional facies changes and their ages with their thickness, we are able to introduce a simple back-stripping method to reconstruct the evolution of growing strata across the Shanchiao Fault since the LGM. We then estimate the vertical tectonic slip rate since 23 ka, which exhibits 2.2 mm yr-1 between SCF-2 and WK-1 and 1.1 mm yr-1 between SCF-1 and SCF-2. We also obtain the Holocene tectonic subsidence rate of 2.3 mm yr-1 at WK-1 and 0.9 mm yr-1 at SCF-2 since 8.4 ka. We thus conclude that the fault zone consists of a high-angle main fault to the east between SCF-2 and WK-1 and a western lower-angle branch fault between SCF-1 and SCF-2, resembling a tulip structure developed under sinistral transtensional tectonism. We find that a short period of 600-yr time span in 9 - 8.4 ka shows important tectonic subsidence of 7.4 and 3.3 m for the main and branch fault, respectively, consistent with possible earthquake events proposed by previous studies during that time. A correlation between geomorphology and subsurface geology in the Shanchiao Fault zone shows

Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation

DEFF Research Database (Denmark)

Pedersen, Kasper Steen; Ungur, Liviu; Sigrist, Marc

2014-01-01

allows for the extraction of the sign and magnitude of all symmetry-allowed Stevens parameters. The parameter values and the energy spectrum derived from INS are compared to the results of state-of-the-art ab initio CASSCF calculations. Temperature-dependent alternating current (ac) susceptibility...

Tandem trifluoromethylthiolation/aryl migration of aryl alkynoates to trifluoromethylthiolated alkenes.

Science.gov (United States)

Li, Huan; Liu, Shuai; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling

2017-09-12

A trifluoromethylthiolation initiated aryl migration of aryl alkynoates was disclosed. This protocol employs AgSCF 3 as the SCF 3 source and MeCN as both the solvent and the hydrogen source. This provides a new access to trifluoromethylthiolated alkenes from readily available substrates and reagents.

Dicty_cDB: SHJ838 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available 4 CV164410 |CV164410.1 rsmsxl_003361.y1.scf cDNA Library of Salvia miltiorrhiza S...alvia miltiorrhiza cDNA 5', mRNA sequence. 54 6e-09 3 CV172465 |CV172465.1 rsmsxlre_008717.z1.scf cDNA Libra

Dicty_cDB: CHN523 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available -09 5 CV164410 |CV164410.1 rsmsxl_003361.y1.scf cDNA Library of Salvia miltiorrhiza Salvia miltiorrhiza cDNA... 5', mRNA sequence. 54 5e-09 3 CV172465 |CV172465.1 rsmsxlre_008717.z1.scf cDNA L

Source Classification Framework for an optimized European wide Emission Control Strategy

DEFF Research Database (Denmark)

Lützhøft, Hans-Christian Holten; Donner, Erica; Ledin, Anna

2011-01-01

of the PS environmental emission. The SCF also provides a well structured approach for European pollutant source and release classification and management. With further European wide implementation, the SCF has the potential or an optimized ECS in order to obtain good chemical status of European water...

Stem cell factor induces phosphatidylinositol 3'-kinase-dependent Lyn/Tec/Dok-1 complex formation in hematopoietic cells

NARCIS (Netherlands)

van Dijk, T. B.; van den Akker, E.; Amelsvoort, M. P.; Mano, H.; Löwenberg, B.; von Lindern, M.

2000-01-01

Stem cell factor (SCF) has an important role in the proliferation, differentiation, survival, and migration of hematopoietic cells. SCF exerts its effects by binding to cKit, a receptor with intrinsic tyrosine kinase activity. Activation of phosphatidylinositol 3'-kinase (PI3-K) by cKit was

Perturbation expansion theory corrected from basis set superposition error. I. Locally projected excited orbitals and single excitations.

Science.gov (United States)

Nagata, Takeshi; Iwata, Suehiro

2004-02-22

The locally projected self-consistent field molecular orbital method for molecular interaction (LP SCF MI) is reformulated for multifragment systems. For the perturbation expansion, two types of the local excited orbitals are defined; one is fully local in the basis set on a fragment, and the other has to be partially delocalized to the basis sets on the other fragments. The perturbation expansion calculations only within single excitations (LP SE MP2) are tested for water dimer, hydrogen fluoride dimer, and colinear symmetric ArM+ Ar (M = Na and K). The calculated binding energies of LP SE MP2 are all close to the corresponding counterpoise corrected SCF binding energy. By adding the single excitations, the deficiency in LP SCF MI is thus removed. The results suggest that the exclusion of the charge-transfer effects in LP SCF MI might indeed be the cause of the underestimation for the binding energy. (c) 2004 American Institute of Physics.

A new entropy based method for computing software structural complexity

CERN Document Server

Roca, J L

2002-01-01

In this paper a new methodology for the evaluation of software structural complexity is described. It is based on the entropy evaluation of the random uniform response function associated with the so called software characteristic function SCF. The behavior of the SCF with the different software structures and their relationship with the number of inherent errors is investigated. It is also investigated how the entropy concept can be used to evaluate the complexity of a software structure considering the SCF as a canonical representation of the graph associated with the control flow diagram. The functions, parameters and algorithms that allow to carry out this evaluation are also introduced. After this analytic phase follows the experimental phase, verifying the consistency of the proposed metric and their boundary conditions. The conclusion is that the degree of software structural complexity can be measured as the entropy of the random uniform response function of the SCF. That entropy is in direct relation...

Nociceptive tuning by stem cell factor/c-Kit signaling.

Science.gov (United States)

Milenkovic, Nevena; Frahm, Christina; Gassmann, Max; Griffel, Carola; Erdmann, Bettina; Birchmeier, Carmen; Lewin, Gary R; Garratt, Alistair N

2007-12-06

The molecular mechanisms regulating the sensitivity of sensory circuits to environmental stimuli are poorly understood. We demonstrate here a central role for stem cell factor (SCF) and its receptor, c-Kit, in tuning the responsiveness of sensory neurons to natural stimuli. Mice lacking SCF/c-Kit signaling displayed profound thermal hypoalgesia, attributable to a marked elevation in the thermal threshold and reduction in spiking rate of heat-sensitive nociceptors. Acute activation of c-Kit by its ligand, SCF, resulted in a reduced thermal threshold and potentiation of heat-activated currents in isolated small-diameter neurons and thermal hyperalgesia in mice. SCF-induced thermal hyperalgesia required the TRP family cation channel TRPV1. Lack of c-Kit signaling during development resulted in hypersensitivity of discrete mechanoreceptive neuronal subtypes. Thus, c-Kit can now be grouped with a small family of receptor tyrosine kinases, including c-Ret and TrkA, that control the transduction properties of sensory neurons.

Inhibitory effect of green tea catechins in combination with sucralfate on Helicobacter pylori infection in Mongolian gerbils.

Science.gov (United States)

Takabayashi, Fumiyo; Harada, Noboru; Yamada, Masami; Murohisa, Binzaburo; Oguni, Itaro

2004-01-01

The occurrence of antibiotic-resistant Helicobacter pylori has been reported. It is desirable to develop an effective method to prevent the occurrence of resistant strains of Helicobacter pylori. Green tea catechins (GTCs) have been reported to have an antibacterial effect. Therefore, the possibility of eradicating Helicobacter pylori by the oral administration of GTCs was investigated. Solutions of GTCs and solutions of GTCs adsorbed to sucralfate (GTC-scf), at concentrations of 20 mg GTCs and/or 20 mg sucralfate/ml were prepared. Then 1 ml of the GTC-scf or the GTC solution was administered daily, for 10 days to Mongolian gerbils infected with Helicobacter pylori. Then the stomachs were extirpated and homogenized. The homogenate was spread on selective medium plates. After 5-day culture, colony-forming units (CFU) of Helicobacter pylori were counted. The CFU of Helicobacter pylori was significantly decreased by GTC-scf. GTC-scf may have a bactericidal effect on Helicobacter pylori infection.

Modern supercritical fluid technology for food applications.

Science.gov (United States)

King, Jerry W

2014-01-01

This review provides an update on the use of supercritical fluid (SCF) technology as applied to food-based materials. It advocates the use of the solubility parameter theory (SPT) for rationalizing the results obtained when employing sub- and supercritical media to food and nutrient-bearing materials and for optimizing processing conditions. Total extraction and fractionation of foodstuffs employing SCFs are compared and are illustrated by using multiple fluids and unit processes to obtain the desired food product. Some of the additional prophylactic benefits of using carbon dioxide as the processing fluid are explained and illustrated with multiple examples of commercial products produced using SCF media. I emphasize the role of SCF technology in the context of environmentally benign and sustainable processing, as well as its integration into an overall biorefinery concept. Conclusions are drawn in terms of current trends in the field and future research that is needed to secure new applications of the SCF platform as applied in food science and technology.

Application of supercritical fluid extraction in analytical science

International Nuclear Information System (INIS)

Kumar, Pradeep

2015-01-01

In the recent years, supercritical fluid extraction (SFE) has emerged as a promising alternative to conventional solvent extraction process owing to its potential to minimize the generation of the liquid volume and simplification of the extraction process.This technology is some times referred to as 'green technology' and 'clean technology'. Supercritical fluid extraction process assumes significance as it exhibits practical advantages such as enhanced extraction rate due to rapid mass transfer in supercritical fluid medium and change of solvent properties such as density by tuning pressure/temperature conditions. Supercritical fluids (SCF) offer faster, cleaner and efficient extraction owing to low viscosity, high density, low surface tension and better diffusivity properties. Higher diffusivity than liquids facilitates rapid mass transfer and faster completion of reaction. Due to low viscosity and surface tension, SCF can penetrate deep inside the material, extracting the component of interest. Liquid like solvating characteristics of SCFs enable dissolution of compounds whereas gas like diffusion characteristics provide conditions for high degree of extraction in shorter time duration. CO 2 has been widely employed as supercritical fluid owing to its moderate critical constants (Pc= 72.9 atm, Tc =304.3 K, ñ c = 0.47 g mL -1 ) and attractive properties such as being easily available, recyclable, non-toxic, chemically inert, non inflammable and radio-chemically stable. SCF finds application in variety of fields. In nuclear industry for separation and purification of actinides from liquids and solid matrices. In food industry, Decaffeination of coffee is done by SCF. Pharmaceutical industry, organic compounds can be extracted from plants by SC CO 2 avoiding liquid solvent usage. SCF may also be utilised for the production of fine powders. In polymer and plastics industries, examples of applications include the impregnation of medical material

AC electric field assisted orientational photorefractive effect in C60-doped nematic liquid crystal

International Nuclear Information System (INIS)

Sun Xiudong; Pei Yanbo; Yao Fengfeng; Zhang Jianlong; Hou Chunfeng

2007-01-01

Photorefractive gratings were produced in a C 60 -doped nematic liquid crystal cell under the application of two coherent beams and a nonbiased sinusoidal ac electric field. The beam coupling and diffraction of the ac electric field assisted gratings were studied systematically. A stable asymmetric energy transference was obtained. Diffraction was observed when the angle (between the normal of the cell and the bisector of the writing beams) was 0 0 , and the dependence of diffraction efficiency on the peak-to-peak value of the ac voltage was similar to that at an incidence angle of 45 0 , suggesting that the role of the ac field was to facilitate the charge separation, and the space-charge field (SCF) originated predominantly from the diffusion of the ac electric field assisted photo-induced carriers under the application of nonuniform illumination and an applied ac field. The grating was produced by director reorientation induced by the cooperation of the SCF and the applied ac electric field. A self-erasing phenomenon was observed in this cell. An explanation in terms of the movement of two kinds of carriers with opposite signs was proposed

Relationship between elevated serum gamma-glutamyltransferase activity and slow coronary flow

DEFF Research Database (Denmark)

Sen, Nihat; Ozlü, Mehmet F; Basar, Nurcan

2009-01-01

OBJECTIVES: We evaluated the relationship between coronary blood flow and serum gamma-glutamyltransferase (GGT) activity in patients with slow coronary flow (SCF). STUDY DESIGN: The study included 90 patients (47 men, 43 women; mean age 50.8+/-9.4 years) with SCF and 88 patients (45 men, 43 women...

Dicty_cDB: SHA788 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available . 52 6e-09 5 CV164410 |CV164410.1 rsmsxl_003361.y1.scf cDNA Library of Salvia mil...tiorrhiza Salvia miltiorrhiza cDNA 5', mRNA sequence. 54 6e-09 3 CV172465 |CV172465.1 rsmsxlre_008717.z1.scf

40 CFR 98.76 - Data reporting requirements.

Science.gov (United States)

2010-07-01

... facility uses gaseous feedstock, the molar volume conversion factor of the gaseous feedstock (scf per kg... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Ammonia Manufacturing § 98.76 Data reporting requirements. In...). (14) Volume of the waste recycle stream for month n for each ammonia process unit (scf) (15) Method...

Multiconfigurational and DFT analyses of the electromeric formulation and UV-vis absorption spectra of the superoxide adduct of ferrous superoxide reductase.

Science.gov (United States)

Attia, Amr A A; Cioloboc, Daniela; Lupan, Alexandru; Silaghi-Dumitrescu, Radu

2016-12-01

The putative initial adduct of ferrous superoxide reductase (SOR) with superoxide has been alternatively formulated as ferric-peroxo or ferrous-superoxo. The ~600-nm UV-vis absorption band proposed to be assigned to this adduct (either as sole intermediate in the SOR catalytic cycle, or as one of the two intermediates) has recently been interpreted as due to a ligand-to-metal charge transfer, involving thiolate and superoxide in a ferrous complex, contrary to an alternative assignment as a predominantly cysteine thiolate-to-ferric charge transfer in a ferric-peroxo electromer. In an attempt to clarify the electromeric formulation of this adduct, we report a computational study using a multiconfigurational complete active space self-consistent field (MC-CASSCF) wave function approach as well as modelling the UV-vis absorption spectra with time-dependent density functional theory (TD-DFT). The MC-CASSCF calculations disclose a weak interaction between iron and the dioxygenic ligand and a dominant configuration with an essentially ferrous-superoxo character. The computed UV-vis absorption spectra reveal a marked dependence on the choice of density functional - both in terms of location of bands and in terms of orbital contributors. For the main band in the visible region, besides the recently reported thiolate-to-superoxide charge transfer, a more salient, and less functional-dependent, feature is a thiolate-to-ferric iron charge transfer, consistent with a ferric-peroxo electromer. By contrast, the computed UV-vis spectra of a ferric-hydroperoxo SOR model match distinctly better (and with no qualitative dependence on the DFT methodology) the 600-nm band as due to a mainly thiolate-to-ferric character - supporting the assignment of the SOR "600-nm intermediate" as a S=5/2 ferric-hydroperoxo species. Copyright © 2016 Elsevier Inc. All rights reserved.

A primer on Hilbert space theory linear spaces, topological spaces, metric spaces, normed spaces, and topological groups

CERN Document Server

Alabiso, Carlo

2015-01-01

This book is an introduction to the theory of Hilbert space, a fundamental tool for non-relativistic quantum mechanics. Linear, topological, metric, and normed spaces are all addressed in detail, in a rigorous but reader-friendly fashion. The rationale for an introduction to the theory of Hilbert space, rather than a detailed study of Hilbert space theory itself, resides in the very high mathematical difficulty of even the simplest physical case. Within an ordinary graduate course in physics there is insufficient time to cover the theory of Hilbert spaces and operators, as well as distribution theory, with sufficient mathematical rigor. Compromises must be found between full rigor and practical use of the instruments. The book is based on the author's lessons on functional analysis for graduate students in physics. It will equip the reader to approach Hilbert space and, subsequently, rigged Hilbert space, with a more practical attitude. With respect to the original lectures, the mathematical flavor in all sub...

Genome-wide discovery of novel M1T1 group A streptococcal determinants important for fitness and virulence during soft-tissue infection.

Directory of Open Access Journals (Sweden)

Yoann Le Breton

2017-08-01

Full Text Available The Group A Streptococcus remains a significant human pathogen causing a wide array of disease ranging from self-limiting to life-threatening invasive infections. Epithelium (skin or throat colonization with progression to the subepithelial tissues is the common step in all GAS infections. Here, we used transposon-sequencing (Tn-seq to define the GAS 5448 genetic requirements for in vivo fitness in subepithelial tissue. A near-saturation transposon library of the M1T1 GAS 5448 strain was injected subcutaneously into mice, producing suppurative inflammation at 24 h that progressed to prominent abscesses with tissue necrosis at 48 h. The library composition was monitored en masse by Tn-seq and ratios of mutant abundance comparing the output (12, 24 and 48 h versus input (T0 mutant pools were calculated for each gene. We identified a total of 273 subcutaneous fitness (scf genes with 147 genes (55 of unknown function critical for the M1T1 GAS 5448 fitness in vivo; and 126 genes (53 of unknown function potentially linked to in vivo fitness advantage. Selected scf genes were validated in competitive subcutaneous infection with parental 5448. Two uncharacterized genes, scfA and scfB, encoding putative membrane-associated proteins and conserved among Gram-positive pathogens, were further characterized. Defined scfAB mutants in GAS were outcompeted by wild type 5448 in vivo, attenuated for lesion formation in the soft tissue infection model and dissemination to the bloodstream. We hypothesize that scfAB play an integral role in enhancing adaptation and fitness of GAS during localized skin infection, and potentially in propagation to other deeper host environments.

Genome-wide discovery of novel M1T1 group A streptococcal determinants important for fitness and virulence during soft-tissue infection.

Science.gov (United States)

Le Breton, Yoann; Belew, Ashton T; Freiberg, Jeffrey A; Sundar, Ganesh S; Islam, Emrul; Lieberman, Joshua; Shirtliff, Mark E; Tettelin, Hervé; El-Sayed, Najib M; McIver, Kevin S

2017-08-01

The Group A Streptococcus remains a significant human pathogen causing a wide array of disease ranging from self-limiting to life-threatening invasive infections. Epithelium (skin or throat) colonization with progression to the subepithelial tissues is the common step in all GAS infections. Here, we used transposon-sequencing (Tn-seq) to define the GAS 5448 genetic requirements for in vivo fitness in subepithelial tissue. A near-saturation transposon library of the M1T1 GAS 5448 strain was injected subcutaneously into mice, producing suppurative inflammation at 24 h that progressed to prominent abscesses with tissue necrosis at 48 h. The library composition was monitored en masse by Tn-seq and ratios of mutant abundance comparing the output (12, 24 and 48 h) versus input (T0) mutant pools were calculated for each gene. We identified a total of 273 subcutaneous fitness (scf) genes with 147 genes (55 of unknown function) critical for the M1T1 GAS 5448 fitness in vivo; and 126 genes (53 of unknown function) potentially linked to in vivo fitness advantage. Selected scf genes were validated in competitive subcutaneous infection with parental 5448. Two uncharacterized genes, scfA and scfB, encoding putative membrane-associated proteins and conserved among Gram-positive pathogens, were further characterized. Defined scfAB mutants in GAS were outcompeted by wild type 5448 in vivo, attenuated for lesion formation in the soft tissue infection model and dissemination to the bloodstream. We hypothesize that scfAB play an integral role in enhancing adaptation and fitness of GAS during localized skin infection, and potentially in propagation to other deeper host environments.

Testing stem cell therapy in a rat model of inflammatory bowel disease: role of bone marrow stem cells and stem cell factor in mucosal regeneration.

Science.gov (United States)

Qu, Bo; Xin, Guo-Rong; Zhao, Li-Xia; Xing, Hui; Lian, Li-Ying; Jiang, Hai-Yan; Tong, Jia-Zhao; Wang, Bei-Bei; Jin, Shi-Zhu

2014-01-01

The gastrointestinal (GI) mucosal cells turnover regularly under physiological conditions, which may be stimulated in various pathological situations including inflammation. Local epithelial stem cells appear to play a major role in such mucosal renewal or pathological regeneration. Less is clear about the involvement of multipotent stem cells from blood in GI repair. We attempted to explore a role of bone marrow mesenchymal stromal cells (BMMSCs) and soluble stem cell factor (SCF) in GI mucosa regeneration in a rat model of inflammatory bowel diseases (IBD). BMMSCs labelled with the fluorescent dye PKH26 from donor rats were transfused into rats suffering indomethacin-induced GI injury. Experimental effects by BMMSCs transplant and SCF were determined by morphometry of intestinal mucosa, double labeling of PKH26 positive BMMSCs with endogenous proliferative and intestinal cell markers, and western blot and PCR analyses of the above molecular markers in the recipient rats relative to controls. PKH26 positive BMMSCs were found in the recipient mucosa, partially colocalizing with the proliferating cell nuclear antigen (PCNA), Lgr5, Musashi-1 and ephrin-B3. mRNA and protein levels of PCNA, Lgr5, Musashi-1 and ephrin-B3 were elevated in the intestine in BMMSCs-treated rats, most prominent in the BMMSCs-SCF co-treatment group. The mucosal layer and the crypt layer of the small intestine were thicker in BMMSCs-treated rats, more evident in the BMMSCs-SCF co-treatment group. BMMSCs and SCF participate in but may play a synergistic role in mucosal cell regeneration following experimentally induced intestinal injury. Bone marrow stem cell therapy and SCF administration may be of therapeutic value in IBD.

Self-Consistent-Field Method and τ-Functional Method on Group Manifold in Soliton Theory: a Review and New Results

Directory of Open Access Journals (Sweden)

Seiya Nishiyama

2009-01-01

Full Text Available The maximally-decoupled method has been considered as a theory to apply an basic idea of an integrability condition to certain multiple parametrized symmetries. The method is regarded as a mathematical tool to describe a symmetry of a collective submanifold in which a canonicity condition makes the collective variables to be an orthogonal coordinate-system. For this aim we adopt a concept of curvature unfamiliar in the conventional time-dependent (TD self-consistent field (SCF theory. Our basic idea lies in the introduction of a sort of Lagrange manner familiar to fluid dynamics to describe a collective coordinate-system. This manner enables us to take a one-form which is linearly composed of a TD SCF Hamiltonian and infinitesimal generators induced by collective variable differentials of a canonical transformation on a group. The integrability condition of the system read the curvature C = 0. Our method is constructed manifesting itself the structure of the group under consideration. To go beyond the maximaly-decoupled method, we have aimed to construct an SCF theory, i.e., υ (external parameter-dependent Hartree-Fock (HF theory. Toward such an ultimate goal, the υ-HF theory has been reconstructed on an affine Kac-Moody algebra along the soliton theory, using infinite-dimensional fermion. An infinite-dimensional fermion operator is introduced through a Laurent expansion of finite-dimensional fermion operators with respect to degrees of freedom of the fermions related to a υ-dependent potential with a Υ-periodicity. A bilinear equation for the υ-HF theory has been transcribed onto the corresponding τ-function using the regular representation for the group and the Schur-polynomials. The υ-HF SCF theory on an infinite-dimensional Fock space F∞ leads to a dynamics on an infinite-dimensional Grassmannian Gr∞ and may describe more precisely such a dynamics on the group manifold. A finite-dimensional Grassmannian is identified with a Gr�

The spectroscopy of MnH

Science.gov (United States)

Langhoff, Stephen R.; Bauschlicher, Charles W.; Rendell, Alistair P.

1989-11-01

The low-lying quintet and septet states of MnH have been studied using the state-averaged {CASSCF}/{MRCI} method. Our study focuses on the A7Π- X7Σ +, c5Σ +- a5Σ +, and b5Π- a5Σ + band systems, which almost certainly correspond to the 566-, 847-, and 939-nm band systems observed in emission. The radiative lifetimes for the v' = 0 level of the A7Π, b5Π, and c5Σ + states are 96.6 ns and 3.2 and 0.39 μs, respectively. Although the CASSCF calculations are not inconsistent with the assignment of the 480-nm band system to a 5Π- a5Σ + transition, they indicate the existence of a stronger 5Σ +- a5Σ + transition in the same energy region. The calculations also show that the quintet spectrum above 20 000 cm -1 is very complicated.

Dicty_cDB: CHJ706 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available 09 6 CV164410 |CV164410.1 rsmsxl_003361.y1.scf cDNA Library of Salvia miltiorrhiza Salvia miltiorrhiza cDNA ...5', mRNA sequence. 54 2e-09 3 CV172465 |CV172465.1 rsmsxlre_008717.z1.scf cDNA Library of Salvia miltiorrhiz

Development of novel UV emitting single crystalline film scintillators

Science.gov (United States)

Zorenko, Yu; Gorbenko, V.; Savchyn, V.; Voznyak, T.; Nikl, M.; Mares, J. A.; Martin, T.; Douissard, P.-A.

2011-04-01

The work is dedicated to development of new types of UV -emitting scintillators based on single crystalline films (SCF) of aluminimum perovskites and garnets grown by the liquid phase epitaxy (LPE) method. The development of the following three types of UV SCF scintillators is considered in this work: i) Ce-doped SCF of Y-Lu-Al-perovskites with Ce3+ emission in the 360-370 nm range with a decay time of 16-17 ns; ii) Pr-doped SCF of Y-Lu-Al garnets with Pr3+ emission in the 300-400 nm range with a decay time of 13-17 ns; iii) La3+ and Sc3+ doped SCF of Y-Lu-Al-garnets, emitting in the 290-400 nm range due to formation of the LaY,Lu, ScY,Lu and ScAl centers with decay time of 250-575 ns. The results of testing the several novel UV-emitting SCFs scintillators for visualization of X-ray images at ESFR are presented. It is shown that the UV emission of the LuAG:Sc, LuAG:La and LuAG:Pr SCFs is efficient enough for conversion of X-ray to the UV light and that these scintillators can be used for improvement of the resolution of imaging detectors in synchrotron radiation applications.

Development of novel UV emitting single crystalline film scintillators

Energy Technology Data Exchange (ETDEWEB)

Zorenko, Yu; Gorbenko, V; Savchyn, V; Voznyak, T [Laboratory of Opoelectronic Materials (LOM), Electronics Department of Ivan Franko National University of Lviv, 79017 Lviv (Ukraine); Nikl, M; Mares, J A [Institute of Physics of ASCR, 162 53 Prague (Czech Republic); Martin, T; Douissard, P-A, E-mail: zorenko@electronics.wups.lviv.ua [ESRF, Instrument Support Group, 6 rue Jules Horoeitz, 38043 Grenoble (France)

2011-04-01

The work is dedicated to development of new types of UV -emitting scintillators based on single crystalline films (SCF) of aluminium perovskites and garnets grown by the liquid phase epitaxy (LPE) method. The development of the following three types of UV SCF scintillators is considered in this work: i) Ce-doped SCF of Y-Lu-Al-perovskites with Ce{sup 3+} emission in the 360-370 nm range with a decay time of 16-17 ns; ii) Pr-doped SCF of Y-Lu-Al garnets with Pr{sup 3+} emission in the 300-400 nm range with a decay time of 13-17 ns; iii) La{sup 3+} and Sc{sup 3+} doped SCF of Y-Lu-Al-garnets, emitting in the 290-400 nm range due to formation of the La{sub Y,Lu}, Sc{sub Y,Lu} and Sc{sub Al} centers with decay time of 250-575 ns. The results of testing the several novel UV-emitting SCFs scintillators for visualization of X-ray images at ESFR are presented. It is shown that the UV emission of the LuAG:Sc, LuAG:La and LuAG:Pr SCFs is efficient enough for conversion of X-ray to the UV light and that these scintillators can be used for improvement of the resolution of imaging detectors in synchrotron radiation applications.

Discovering geothermal supercritical fluids: a new frontier for seismic exploration.

Science.gov (United States)

Piana Agostinetti, Nicola; Licciardi, Andrea; Piccinini, Davide; Mazzarini, Francesco; Musumeci, Giovanni; Saccorotti, Gilberto; Chiarabba, Claudio

2017-11-06

Exploiting supercritical geothermal resources represents a frontier for the next generation of geothermal electrical power plant, as the heat capacity of supercritical fluids (SCF),which directly impacts on energy production, is much higher than that of fluids at subcritical conditions. Reconnaissance and location of intensively permeable and productive horizons at depth is the present limit for the development of SCF geothermal plants. We use, for the first time, teleseismic converted waves (i.e. receiver function) for discovering those horizons in the crust. Thanks to the capability of receiver function to map buried anisotropic materials, the SCF-bearing horizon is seen as the 4km-depth abrupt termination of a shallow, thick, ultra-high (>30%) anisotropic rock volume, in the center of the Larderello geothermal field. The SCF-bearing horizon develops within the granites of the geothermal field, bounding at depth the vapor-filled heavily-fractured rock matrix that hosts the shallow steam-dominated geothermal reservoirs. The sharp termination at depth of the anisotropic behavior of granites, coinciding with a 2 km-thick stripe of seismicity and diffuse fracturing, points out the sudden change in compressibility of the fluid filling the fractures and is a key-evidence of deep fluids that locally traversed the supercritical conditions. The presence of SCF and fracture permeability in nominally ductile granitic rocks open new scenarios for the understanding of magmatic systems and for geothermal exploitation.

A spin column-free approach to sodium hydroxide-based glycan permethylation.

Science.gov (United States)

Hu, Yueming; Borges, Chad R

2017-07-24

Glycan permethylation was introduced as a tool to facilitate the study of glycans in 1903. Since that time, permethylation procedures have been continually modified to improve permethylation efficiency and qualitative applicability. Typically, however, either laborious preparation steps or cumbersome and uneconomical spin columns have been needed to obtain decent permethylation yields on small glycan samples. Here we describe a spin column-free (SCF) glycan permethylation procedure that is applicable to both O- and N-linked glycans and can be employed upstream to intact glycan analysis by MALDI-MS, ESI-MS, or glycan linkage analysis by GC-MS. The SCF procedure involves neutralization of NaOH beads by acidified phosphate buffer, which eliminates the risk of glycan oxidative degradation and avoids the use of spin columns. Optimization of the new permethylation procedure provided high permethylation efficiency for both hexose (>98%) and HexNAc (>99%) residues-yields which were comparable to (or better than) those of some widely-used spin column-based procedures. A light vs. heavy labelling approach was employed to compare intact glycan yields from a popular spin-column based approach to the SCF approach. Recovery of intact N-glycans was significantly better with the SCF procedure (p 0.75; p < 0.01). In summary, the SCF permethylation procedure expedites and economizes both intact glycan analysis and linkage analysis of glycans from whole biospecimens.

A spin column-free approach to sodium hydroxide-based glycan permethylation†

Science.gov (United States)

Hu, Yueming; Borges, Chad R.

2018-01-01

Glycan permethylation was introduced as a tool to facilitate the study of glycans in 1903. Since that time, permethylation procedures have been continually modified to improve permethylation efficiency and qualitative applicability. Typically, however, either laborious preparation steps or cumbersome and uneconomical spin columns have been needed to obtain decent permethylation yields on small glycan samples. Here we describe a spin column-free (SCF) glycan permethylation procedure that is applicable to both O- and N-linked glycans and can be employed upstream to intact glycan analysis by MALDI-MS, ESI-MS, or glycan linkage analysis by GC-MS. The SCF procedure involves neutralization of NaOH beads by acidified phosphate buffer, which eliminates the risk of glycan oxidative degradation and avoids the use of spin columns. Optimization of the new permethylation procedure provided high permethylation efficiency for both hexose (>98%) and HexNAc (>99%) residues—yields which were comparable to (or better than) those of some widely-used spin column-based procedures. A light vs. heavy labelling approach was employed to compare intact glycan yields from a popular spin-column based approach to the SCF approach. Recovery of intact N-glycans was significantly better with the SCF procedure (p 0.75; p < 0.01). In summary, the SCF permethylation procedure expedites and economizes both intact glycan analysis and linkage analysis of glycans from whole biospecimens. PMID:28635997

Lowest triplet (n, π*) electronic state of acrolein: Determination of structural parameters by cavity ringdown spectroscopy and quantum-chemical methods

Science.gov (United States)

Hlavacek, Nikolaus C.; McAnally, Michael O.; Drucker, Stephen

2013-02-01

The cavity ringdown absorption spectrum of acrolein (propenal, CH2=CH—CH=O) was recorded near 412 nm, under bulk-gas conditions at room temperature and in a free-jet expansion. The measured spectral region includes the 0^0_0 band of the T1(n, π*) ← S0 system. We analyzed the 0^0_0 rotational contour by using the STROTA computer program [R. H. Judge et al., J. Chem. Phys. 103, 5343 (1995)], 10.1063/1.470569, which incorporates an asymmetric rotor Hamiltonian for simulating and fitting singlet-triplet spectra. We used the program to fit T1(n, π*) inertial constants to the room-temperature contour. The determined values (cm-1), with 2σ confidence intervals, are A = 1.662 ± 0.003, B = 0.1485 ± 0.0006, C = 0.1363 ± 0.0004. Linewidth analysis of the jet-cooled spectrum yielded a value of 14 ± 2 ps for the lifetime of isolated acrolein molecules in the T1(n, π*), v = 0 state. We discuss the observed lifetime in the context of previous computational work on acrolein photochemistry. The spectroscopically derived inertial constants for the T1(n, π*) state were used to benchmark a variety of computational methods. One focus was on complete active space methods, such as complete active space self-consistent field (CASSCF) and second-order perturbation theory with a CASSCF reference function (CASPT2), which are applicable to excited states. We also examined the equation-of-motion coupled-cluster and time-dependent density function theory excited-state methods, and finally unrestricted ground-state techniques, including unrestricted density functional theory and unrestricted coupled-cluster theory with single and double and perturbative triple excitations. For each of the above methods, we or others [O. S. Bokareva et al., Int. J. Quantum Chem. 108, 2719 (2008)], 10.1002/qua.21803 used a triple zeta-quality basis set to optimize the T1(n, π*) geometry of acrolein. We find that the multiconfigurational methods provide the best agreement with fitted inertial

Electronic Transitions of Tungsten Monosulfide

Science.gov (United States)

Tsang, L. F.; Chan, Man-Chor; Zou, Wenli; Cheung, Allan S. C.

2017-06-01

Electronic transition spectrum of the tungsten monosulfide (WS) molecule in the near infrared region between 725 nm and 885 nm has been recorded using laser ablation/reaction free-jet expansion and laser induced fluorescence spectroscopy. The WS molecule was produced by reacting laser - ablated tungsten atoms with 1% CS_{2} seeded in argon. Fifteen vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into seven electronic transition systems. The ground state has been identified to be the X^{3}Σ^{-}(0^{+}) state, and the determined vibrational frequency, ΔG_{1/2} and bond length, r_{0}, are respectively 556.7 cm^{-1} and 2.0676 Å. In addition, vibrational bands belong to another transition system involving lower state with Ω = 1 component have also been analyzed. Least-squares fit of the measured line positions yielded molecular constants for the electronic states involved. The low-lying Λ-S states and Ω sub-states of WS have been calculated using state-averaged complete active space self-consistent field (SA-CASSCF) and followed by MRCISD+Q (internally contracted multi-reference configuration interaction with singles and doubles plus Davidson's cluster correction). The active space consists of 10 electrons in 9 orbitals corresponding to the W 5d6s and S 3p shells. The lower molecular orbitals from W 5s5p and S 3s are inactive but are also correlated, and relativistic effective core potential (RECPs) are adopted to replace the core orbitals with 60 (W) and 10 (S) core electrons, respectively. Spin-orbit coupling (SOC) is calculated via the state-interaction (SI) approach with RECP spin-orbit operators using SA-CASSCF wavefunctions, where the diagonal elements in the SOC matrix are replaced by the corresponding MRCISD+Q energies calculated above. Spectroscopic constants and potential energy curves of the ground and many low-lying Λ-S states and Ω sub-states of the WS molecule are obtained. The calculated

Charge transfer and relativistic effects in the low-lying electronic states of CuCl, CuBr and CuI

NARCIS (Netherlands)

Sousa, C; de Jong, W.A.; Broer, R.; Nieuwpoort, WC

1997-01-01

The spectral transitions and the character of the low-lying excited states of the copper halides, CuX (X = Cl, Br, I) are studied by means of two different relativistic computational approaches. One is based on the CASSCF/CASPT2 approach with operators accounting for scalar relativistic effects

Teaching the Indirect Method of the Statement of Cash Flows in Introductory Financial Accounting: A Comprehensive, Problem-Based Approach

Science.gov (United States)

Brickner, Daniel R.; McCombs, Gary B.

2004-01-01

In this article, the authors provide an instructional resource for presenting the indirect method of the statement of cash flows (SCF) in an introductory financial accounting course. The authors focus primarily on presenting a comprehensive example that illustrates the "why" of SCF preparation and show how journal entries and T-accounts can be…

75 FR 69088 - Proposed Information Collection Activity; Comment Request

Science.gov (United States)

2010-11-10

... DEPARTMENT OF HEALTH AND HUMAN SERVICES Administration for Children and Families Proposed... interviews are very brief to reduce the burden on respondents. Respondents: SCF grantees,and faith-based and... grantees 84 1 0.25 21 Telephone interview of SCF grantees 84 1 1.50 126 On-line survey of faith-based and...

Magnetic anisotropy of dysprosium(III) in a low-symmetry environment: a theoretical and experimental investigation.

Science.gov (United States)

Bernot, Kevin; Luzon, Javier; Bogani, Lapo; Etienne, Mael; Sangregorio, Claudio; Shanmugam, Muralidharan; Caneschi, Andrea; Sessoli, Roberta; Gatteschi, Dante

2009-04-22

A mixed theoretical and experimental approach was used to determine the local magnetic anisotropy of the dysprosium(III) ion in a low-symmetry environment. The susceptibility tensor of the monomeric species having the formula [Dy(hfac)(3)(NIT-C(6)H(4)-OEt)(2)], which contains nitronyl nitroxide (NIT-R) radicals, was determined at various temperatures through angle-resolved magnetometry. These results are in agreement with ab initio calculations performed using the complete active space self-consistent field (CASSCF) method, validating the predictive power of this theoretical approach for complex systems containing rare-earth ions, even in low-symmetry environments. Susceptibility measurements performed with the applied field along the easy axis eventually permitted a detailed analysis of the temperature and field dependence of the magnetization, providing evidence that the Dy ion transmits an antiferromagnetic interaction between radicals but that the Dy-radical interaction is ferromagnetic.

Arterial bending angle and wall morphology correlate with slow coronary flow: Determination with multidetector CT coronary angiography

International Nuclear Information System (INIS)

Kantarci, Mecit; Guendogdu, Fuat; Doganay, Selim; Duran, Cihan; Kalkan, M. Emin; Sagsoz, M. Erdem; Kucuk, Osman; Karakaya, Afak; Kucuk, Ahmet; Akguen, Metin

2011-01-01

Background and purpose: The purpose of this study was to assess angulations and vessel wall morphology that could lead to bending head loss in the RCA and LMCA arteries of patients with slow coronary flow (SCF) evaluated by MDCT coronary angiography. Methods: The study involved 51 patients (45 males, mean age: 59.6 years) who were diagnosed with SCF by coronary angiography. Diagnosis of SCF was based on thrombolysis in myocardial infarction (TIMI) frame count. Fifty-one patients with absence of slow flow were selected as the control group. The angulations of the main coronary arteries with the aorta were measured from the axial images obtained through MDCT coronary angiography, and the findings were recorded. In addition, the coronary artery walls of these patients were evaluated. For statistical analysis, SPSS for Windows 10.0 (SPSS Inc., Chicago, IL) was used. For comparisons of the angles, either independent samples t test or the Mann-Whitney U test was used where appropriate. Results: The results of the study indicated that 38 patients had SCF in the LAD. Comparisons of patients with SCF with the controls revealed that in the patients with SCF, the mean angle of the LMCA with the aorta (40.9 ± 20.5 o ) was statistically significantly smaller than the mean angle of the LMCA with the aorta in the control cases (71.8 ± 11 o ). In 12 patients, slow flow was detected in the RCA. Those with slow flow in the RCA had significantly smaller angles (mean: 33.2 ± 20.4 o ) than the other cases (mean: 78.9 ± 10.7 o ). Conclusion: A small angle of origin of the main coronary arteries from the aorta, measured on MDCT examinations is correlated with slow blood flow in those vessels, as calculated by the TIMI frame count in catheter coronary angiography.

Arterial bending angle and wall morphology correlate with slow coronary flow: Determination with multidetector CT coronary angiography

Energy Technology Data Exchange (ETDEWEB)

Kantarci, Mecit, E-mail: akkanrad@hotmail.com [Department of Radiology, Medical Faculty, Atatuerk University, Erzurum (Turkey); Guendogdu, Fuat [Department of Cardiology, Medical Faculty, Atatuerk University, Erzurum (Turkey); Doganay, Selim [Department of Radiology, Medical Faculty, Erciyes University, Kayseri (Turkey); Duran, Cihan [Department of Radiology, Bilim University, Florence Nightingale Hospital, Istanbul (Turkey); Kalkan, M. Emin [Department of Cardiology, Medical Faculty, Atatuerk University, Erzurum (Turkey); Sagsoz, M. Erdem [Department of Radiology, Medical Faculty, Atatuerk University, Erzurum (Turkey); Kucuk, Osman [Department of Electronic Engineering, Engineering Faculty, Atatuerk University, Erzurum (Turkey); Karakaya, Afak [Department of Radiology, Medical Faculty, Atatuerk University, Erzurum (Turkey); Kucuk, Ahmet [Department of Mathematics, Science Faculty, Atatuerk University, Erzurum (Turkey); Akguen, Metin [Department of Chest, Medical Faculty, Atatuerk University, Erzurum (Turkey)

2011-01-15

Background and purpose: The purpose of this study was to assess angulations and vessel wall morphology that could lead to bending head loss in the RCA and LMCA arteries of patients with slow coronary flow (SCF) evaluated by MDCT coronary angiography. Methods: The study involved 51 patients (45 males, mean age: 59.6 years) who were diagnosed with SCF by coronary angiography. Diagnosis of SCF was based on thrombolysis in myocardial infarction (TIMI) frame count. Fifty-one patients with absence of slow flow were selected as the control group. The angulations of the main coronary arteries with the aorta were measured from the axial images obtained through MDCT coronary angiography, and the findings were recorded. In addition, the coronary artery walls of these patients were evaluated. For statistical analysis, SPSS for Windows 10.0 (SPSS Inc., Chicago, IL) was used. For comparisons of the angles, either independent samples t test or the Mann-Whitney U test was used where appropriate. Results: The results of the study indicated that 38 patients had SCF in the LAD. Comparisons of patients with SCF with the controls revealed that in the patients with SCF, the mean angle of the LMCA with the aorta (40.9 {+-} 20.5{sup o}) was statistically significantly smaller than the mean angle of the LMCA with the aorta in the control cases (71.8 {+-} 11{sup o}). In 12 patients, slow flow was detected in the RCA. Those with slow flow in the RCA had significantly smaller angles (mean: 33.2 {+-} 20.4{sup o}) than the other cases (mean: 78.9 {+-} 10.7{sup o}). Conclusion: A small angle of origin of the main coronary arteries from the aorta, measured on MDCT examinations is correlated with slow blood flow in those vessels, as calculated by the TIMI frame count in catheter coronary angiography.

A comparative study of independent particle model based ...

Indian Academy of Sciences (India)

We find that among these three independent particle model based methods, the ss-VSCF method provides most accurate results in the thermal averages followed by t-SCF and the v-VSCF is the least accurate. However, the ss-VSCF is found to be computationally very expensive for the large molecules. The t-SCF gives ...

Removing seed coat fragments with a lint cleaner grid bar air knife

Science.gov (United States)

Seed coat fragments (SCF) in ginned lint cause spinning problems at the textile mill and undesirable defects in finished goods. Work continued on developing an air knife that may help remove SCF from ginned lint. The air knife is mounted on the 1st lint cleaner grid bar of a saw-type lint cleaner,...

Dicty_cDB: SHL126 [Dicty_cDB

Lifescience Database Archive (English)

Full Text Available ce. 52 6e-09 5 CV164410 |CV164410.1 rsmsxl_003361.y1.scf cDNA Library of Salvia miltiorrhiza Salvia miltiorr...hiza cDNA 5', mRNA sequence. 54 7e-09 3 CV172465 |CV172465.1 rsmsxlre_008717.z1.scf cDNA Library of Salvia m

Investigation of Stress Concentration and Casing Strength Degradation Caused by Corrosion Pits

Directory of Open Access Journals (Sweden)

Wei Yan

2016-01-01

Full Text Available Downhole casing and tubing are subjected to corrosion in many cases because of the exposure to corrosive environment. A more serious problem is that pitting corrosion occurs in the casing inner surface. Meanwhile, downhole strings are subjected to various forms of mechanical loads, for example, internal pressure load, external collapse load, or both. These loads acting on the corrosion pits will cause stress concentration and degrade the casing strength. Thus, it is essential to evaluate the stress concentration degree reasonably. The SCF (stress concentration factor is usually used to characterize the degree of stress concentration induced by corrosion pits. This paper presented a comparison on the SCFs regarding the analytical method for a single pit and experimental method for double pits. The results show that the SCF of a single pit depends mainly on the depth of the corrosion pit; however, the SCF of the double pits strongly depends on the pits distance. A correction factor of 1.3 was recommended in the double pits SCF prediction model.

Silver copper fluoride: A novel perovskite cathode for lithium batteries

Science.gov (United States)

Tong, Wei; Amatucci, Glenn G.

2017-09-01

An electrochemically active nanostructured silver copper fluoride (SCF) perovskite, AgCuF3, was synthesized via a mechanochemical reaction between AgF and CuF2 precursors. Phase composition and electrochemical properties of the SCF perovskites produced under various synthetic parameters were studied. The optimum SCF perovskite sample exhibited an appreciable electrochemical performance through the use of conductive carbon matrix in a primary lithium half cell. A high specific capacity of 270 mAh g-1 was achieved at a cutoff voltage of 2 V with 190 mAh g-1 above 3 V, leading to a total volumetric energy density of 3666 Wh L-1 at >3 V and 4848 Wh L-1 at >2 V.

Realizing spaces as path-component spaces

OpenAIRE

Banakh, Taras; Brazas, Jeremy

2018-01-01

The path component space of a topological space $X$ is the quotient space $\\pi_0(X)$ whose points are the path components of $X$. We show that every Tychonoff space $X$ is the path-component space of a Tychonoff space $Y$ of weight $w(Y)=w(X)$ such that the natural quotient map $Y\\to \\pi_0(Y)=X$ is a perfect map. Hence, many topological properties of $X$ transfer to $Y$. We apply this result to construct a compact space $X\\subset \\mathbb{R}^3$ for which the fundamental group $\\pi_1(X,x_0)$ is...

A Logical Approach to the Statement of Cash Flows

Science.gov (United States)

Petro, Fred; Gean, Farrell

2014-01-01

Of the three financial statements in financial reporting, the Statement of Cash Flows (SCF) is perhaps the most challenging. The most difficult aspect of the SCF is in developing an understanding of how previous transactions are finalized in this document. The purpose of this paper is to logically explain the indirect approach of cash flow whereby…

Study of the use of methanol-filled Er-doped suspended-core fibres in a temperature-sensing ring laser system

International Nuclear Information System (INIS)

Martín, J C; Berdejo, V; Vallés, J A; Sánchez-Martín, J A; Díez, A; Andrés, M V

2013-01-01

We report on an experimental/numerical investigation into the use of methanol-filled Er-doped suspended-core fibres (SCFs) in temperature-sensing ring laser systems. We have adopted a ring laser configuration that includes an Er-doped SCF as a temperature-dependent attenuator (TDA) with a step-index Er-doped fibre (EDF) as the laser active medium. The laser performance dependence on the temperature was measured both in continuous wave (CW) and transient regimes. CW laser output power and build-up time values are compared with those of similar laser systems based on other types of Er-doped PCFs or using other laser configurations. A notable variation of 0.73% °C −1 was achieved in CW operation. Then, by means of parameters obtained by numerically fitting the experimental results, the potential sensing performance of the laser configuration with an SCF as a TDA is studied. Moreover, two ring cavity laser configurations (with the SCF acting basically as an attenuator or also as the active media) are compared and the influence of the position of the coupler inside the ring cavity and the contribution of the erbium doping to improve the sensor features are analysed. The longer interaction lengths compatible with laser action using the Er-doped SCF as a TDA could provide variations of laser output power up to 8.6% °C −1 for 90 mW pump power and a 1 m methanol-filled SCF. (paper)

National Space Agencies vs. Commercial Space: Towards Improved Space Safety

Science.gov (United States)

Pelton, J.

2013-09-01

Traditional space policies as developed at the national level includes many elements but they are most typically driven by economic and political objectives. Legislatively administered programs apportion limited public funds to achieve "gains" that can involve employment, stimulus to the economy, national defense or other advancements. Yet political advantage is seldom far from the picture.Within the context of traditional space policies, safety issues cannot truly be described as "afterthoughts", but they are usually, at best, a secondary or even tertiary consideration. "Space safety" is often simply assumed to be "in there" somewhere. The current key question is can "safety and risk minimization", within new commercial space programs actually be elevated in importance and effectively be "designed in" at the outset. This has long been the case with commercial aviation and there is at least reasonable hope that this could also be the case for the commercial space industry in coming years. The cooperative role that the insurance industry has now played for centuries in the shipping industry and for decades in aviation can perhaps now play a constructive role in risk minimization in the commercial space domain as well. This paper begins by examining two historical case studies in the context of traditional national space policy development to see how major space policy decisions involving "manned space programs" have given undue primacy to "political considerations" over "safety" and other factors. The specific case histories examined here include first the decision to undertake the Space Shuttle Program (i.e. 1970-1972) and the second is the International Space Station. In both cases the key and overarching decisions were driven by political, schedule and cost considerations, and safety seems absence as a prime consideration. In publicly funded space programs—whether in the United States, Europe, Russia, Japan, China, India or elsewhere—it seems realistic to

Curved twistor spaces and H-space

International Nuclear Information System (INIS)

Tod, K.P.

1980-01-01

The curved twistor space construction of Penrose for anti-self-dual solutions to the Einstein vacuum equations is described. Curved twistor spaces are defined and it is shown with the aid of an example how to obtain them by deforming the complex structure of regions of flat twistor space. The connection of this procedure with Newman's H-space construction via asymptotic twistor space is outlined. (Auth.)

Large size space construction for space exploitation

Science.gov (United States)

Kondyurin, Alexey

2016-07-01

Space exploitation is impossible without large space structures. We need to make sufficient large volume of pressurized protecting frames for crew, passengers, space processing equipment, & etc. We have to be unlimited in space. Now the size and mass of space constructions are limited by possibility of a launch vehicle. It limits our future in exploitation of space by humans and in development of space industry. Large-size space construction can be made with using of the curing technology of the fibers-filled composites and a reactionable matrix applied directly in free space. For curing the fabric impregnated with a liquid matrix (prepreg) is prepared in terrestrial conditions and shipped in a container to orbit. In due time the prepreg is unfolded by inflating. After polymerization reaction, the durable construction can be fitted out with air, apparatus and life support systems. Our experimental studies of the curing processes in the simulated free space environment showed that the curing of composite in free space is possible. The large-size space construction can be developed. A project of space station, Moon base, Mars base, mining station, interplanet space ship, telecommunication station, space observatory, space factory, antenna dish, radiation shield, solar sail is proposed and overviewed. The study was supported by Humboldt Foundation, ESA (contract 17083/03/NL/SFe), NASA program of the stratospheric balloons and RFBR grants (05-08-18277, 12-08-00970 and 14-08-96011).

An integral for second-order multiple scattering perturbation theory

International Nuclear Information System (INIS)

Hoffman, G.G.

1997-01-01

This paper presents the closed form evaluation of a six-dimensional integral. The integral arises in the application to many-electron systems of a multiple scattering perturbation expansion at second order when formulated in fourier space. The resulting function can be used for the calculation of both the electron density and the effective one-electron potential in an SCF calculations. The closed form expression derived here greatly facilitates these calculations. In addition, the evaluated integral can be used for the computation of second-order corrections to the open-quotes optimized Thomas-Fermi theory.close quotes 10 refs., 2 figs

SpaceTech—Postgraduate space education

Science.gov (United States)

de Bruijn, Ferdi J.; Ashford, Edward W.; Larson, Wiley J.

2008-07-01

SpaceTech is a postgraduate program geared primarily for mid-career space professionals seeking to gain or improve their expertise in space systems engineering and in business engineering. SpaceTech provides a lifelong impact on its participants by broadening their capabilities, encouraging systematic "end-to-end" thinking and preparing them for any technical or business-related engineering challenges they may encounter. This flexible 1-year program offers high competency gain and increased business skills. It is held in attractive locations in a flexible, multi-cultural environment. SpaceTech is a highly effective master's program certified by the esteemed Technical University of Delft (TUD), Netherlands. SpaceTech provides expert instructors who place no barriers between themselves and participants. The program combines innovative and flexible new approaches with time-tested methods to give participants the skills required for future missions and new business, while allowing participants to meet their work commitments at the same time as they study for their master's degree. The SpaceTech program is conducted in separate sessions, generally each of 2-week duration, separated by periods of some 6-8 weeks, during which time participants may return to their normal jobs. It also includes introductory online course material that the participants can study at their leisure. The first session is held at the TUD, with subsequent sessions held at strategic space agency locations. By participating at two or more of these sessions, attendees can earn certificates of satisfactory completion from TU Delft. By participating in all of the sessions, as well as taking part in the companion Central Case Project (CCP), participants earn an accredited and highly respected master's degree in Space Systems Engineering from the TUD. Seven distinct SpaceTech modules are provided during these sessions: Space Mission Analysis and Design, Systems Engineering, Business Engineering

Computational Approaches to the Determination of the Molecular Geometry of Acrolein in its T_1(n,π*) State

Science.gov (United States)

McAnally, Michael O.; Hlavacek, Nikolaus C.; Drucker, Stephen

2012-06-01

The spectroscopically derived inertial constants for acrolein (propenal) in its T_1(n,π*) state were used to test predictions from a variety of computational methods. One focus was on multiconfigurational methods, such as CASSCF and CASPT2, that are applicable to excited states. We also examined excited-state methods that utilize single reference configurations, including EOM-EE-CCSD and TD-PBE0. Finally, we applied unrestricted ground-state techniques, such as UCCSD(T) and the more economical UPBE0 method, to the T_1(n,π*) excited state under the constraint of C_s symmetry. The unrestricted ground-state methods are applicable because at a planar geometry, the T_1(n,π*) state of acrolein is the lowest-energy state of its spin multiplicity. Each of the above methods was used with a triple zeta quality basis set to optimize the T_1(n,π*) geometry. This procedure resulted in the following sets of inertial constants: Inertial constants (cm-1) of acrolein in its T_1(n,π*) state Method A B C Method A B C CASPT2(6,5) 1.667 0.1491 0.1368 UCCSD(T)^b 1.668 0.1480 0.1360 CASSCF(6,5) 1.667 0.1491 0.1369 UPBE0 1.699 0.1487 0.1367 EOM-EE-CCSD 1.675 0.1507 0.1383 TD-PBE0 1.719 0.1493 0.1374 Experiment^a 1.662 0.1485 0.1363 The two multiconfigurational methods produce the same inertial constants, and those constants agree closely with experiment. However the sets of computed bond lengths differ significantly for the two methods. In the CASSCF calculation, the lengthening of the C=O and C=C bonds and the shortening of the C--C bond are more pronounced than in CASPT2. O. S. Bokareva et al., Int. J. Quant. Chem. {108}, 2719 (2008).

Underground spaces/cybernetic spaces

Directory of Open Access Journals (Sweden)

Tomaž Novljan

2000-01-01

Full Text Available A modern city space is a space where in the vertical and horizontal direction dynamic, non-linear processes exist, similar as in nature. Alongside the “common” city surface, cities have underground spaces as well that are increasingly affecting the functioning of the former. It is the space of material and cybernetic communication/transport. The psychophysical specifics of using underground places have an important role in their conceptualisation. The most evident facts being their limited volume and often limited connections to the surface and increased level of potential dangers of all kinds. An efficient mode for alleviating the effects of these specific features are artistic interventions, such as: shape, colour, lighting, all applications of the basic principles of fractal theory.

Self-Determination in Health Research: An Alaska Native Example of Tribal Ownership and Research Regulation

Directory of Open Access Journals (Sweden)

Vanessa Y. Hiratsuka

2017-10-01

Full Text Available Alaska Native (AN and American Indian (AI people are underrepresented in health research, yet many decline to participate in studies due to past researcher misconduct. Southcentral Foundation (SCF, an Alaska Native-owned and operated health care organization, is transforming the relationship between researchers and the tribal community by making trust and accountability required features of health research in AN/AI communities. In 1998, SCF assumed ownership from the federal government of health services for AN/AI people in south central Alaska and transformed the health system into a relationship-based model of care. This change reimagines how researchers interact with tribal communities and established community oversight of all health research conducted with AN/AI people in the region. We describe the SCF research review process, which requires tribal approval of the research concept, full proposal, and dissemination products, as well as local institutional review board approval, and a researcher-signed contract. This review evaluates research through the lens of tribal principles, practices, and priorities. The SCF example provides a framework for other tribes and organizations seeking to reshape the future of health research in AN/AI communities.

Effects of cytokine combinations on the cell cycle and early apoptosis of irradiated umbilical cord blood AC133+ cells

International Nuclear Information System (INIS)

Liu Yulong; Dai Hong; Jiang Zhong; Zhou Liying; Guo Xiaokui; Zhou Jianying

2005-01-01

The cell cycle and early apoptosis of 2.5 Gy 6 MV-X ray irradiated umbilical cord blood AC133 + cells cultured with cytokine combinations (IL-3 + FL + SCF) were immunolabelled and analyzed by flow cytometry at d 0, 1, 2, 3 and 7. The result of flow cytometry analysis showed that majority of irradiated umbilical cord blood AC133 + cells were in G 0 /G 1 phase of the cell cycle at d 0. Under the influence of cytokine combinations (IL-3 + FL + SCF), nearly 50% of cells were in S phase on 3rd day. AC133 + cells irradiated were in vitro incubated in the medium without cytokines, nearly all cells died by apoptosis. However, when we incubated cells with cytokine combinations (IL-3 + FL + SCF), (38.0 ± 6.8)% of cells were saved from apoptosis at d 2. The more percent of saved AC133 + cells became to proliferate with the extension of culture. In short, cytokine combinations (IL-3 + FL + SCF) could have a key role to protect irradiated cells and partially avoid induction of apoptosis by ionizing radiation in hematopoietics stem/progenitor cells. (authors)

Stem cell factor and interleukin-2/15 combine to enhance MAPK-mediated proliferation of human natural killer cells

Science.gov (United States)

Benson, Don M.; Yu, Jianhua; Becknell, Brian; Wei, Min; Freud, Aharon G.; Ferketich, Amy K.; Trotta, Rossana; Perrotti, Danilo; Briesewitz, Roger

2009-01-01

Stem cell factor (SCF) promotes synergistic cellular proliferation in combination with several growth factors, and appears important for normal natural killer (NK)–cell development. CD34+ hematopoietic precursor cells (HPCs) require interleukin-15 (IL-15) for differentiation into human NK cells, and this effect can be mimicked by IL-2. Culture of CD34+ HPCs or some primary human NK cells in IL-2/15 and SCF results in enhanced growth compared with either cytokine alone. The molecular mechanisms responsible for this are unknown and were investigated in the present work. Activation of NK cells by IL-2/15 increases expression of c-kit whose kinase activity is required for synergy with IL-2/15 signaling. Mitogen-activated protein kinase (MAPK) signaling intermediaries that are activated both by SCF and IL-2/15 are enhanced in combination to facilitate earlier cell-cycle entry. The effect results at least in part via enhanced MAPK-mediated modulation of p27 and CDK4. Collectively the data reveal a novel mechanism by which SCF enhances cellular proliferation in combination with IL-2/15 in primary human NK cells. PMID:19060242

Isometries on Banach spaces function spaces

CERN Document Server

Fleming, Richard J

2002-01-01

Fundamental to the study of any mathematical structure is an understanding of its symmetries. In the class of Banach spaces, this leads naturally to a study of isometries-the linear transformations that preserve distances. In his foundational treatise, Banach showed that every linear isometry on the space of continuous functions on a compact metric space must transform a continuous function x into a continuous function y satisfying y(t) = h(t)x(p(t)), where p is a homeomorphism and |h| is identically one.Isometries on Banach Spaces: Function Spaces is the first of two planned volumes that survey investigations of Banach-space isometries. This volume emphasizes the characterization of isometries and focuses on establishing the type of explicit, canonical form given above in a variety of settings. After an introductory discussion of isometries in general, four chapters are devoted to describing the isometries on classical function spaces. The final chapter explores isometries on Banach algebras.This treatment p...

The Morse oscillator in position space, momentum space, and phase space

DEFF Research Database (Denmark)

Dahl, Jens Peder; Springborg, Michael

1988-01-01

We present a unified description of the position-space wave functions, the momentum-space wave functions, and the phase-space Wigner functions for the bound states of a Morse oscillator. By comparing with the functions for the harmonic oscillator the effects of anharmonicity are visualized....... Analytical expressions for the wave functions and the phase space functions are given, and it is demonstrated how a numerical problem arising from the summation of an alternating series in evaluating Laguerre functions can be circumvented. The method is applicable also for other problems where Laguerre...... functions are to be calculated. The wave and phase space functions are displayed in a series of curves and contour diagrams. An Appendix discusses the calculation of the modified Bessel functions of real, positive argument and complex order, which is required for calculating the phase space functions...

Production of biogas by SCF technology

Directory of Open Access Journals (Sweden)

Knez-Hrnčič Maša

2016-01-01

Full Text Available Hydrogen is expected to become an important fuel in the long-term since in combination with fuel cells it offers the opportunity of an intrinsically clean energy supply. By application of supercritical water gasification (SCWG concept, sustainable hydrogen can be produced from biomass and waste. The paper offers an overview of some recently published papers dealing with SCWG of model compounds and a summary of the investigations on SCWG of real agricultural and food processing wastes. In the frame of our work an intense research was performed to support analyses of SCWG of glycerol and was supported by the investigation of phase equilibrium for the systems gas/water and gas mixtures/water. When glycerol/water solutions were directly injected in the reactor operating at supercritical conditions, gases with high C2+ were obtained by the reforming in supercritical water unit. To reduce the hydrocarbon concentrations and to obtain a syngas with higher CO/CO2 ratios from a mixture of gases (H2, CO, CO2 and CH4, catalytic reactions at high pressure and temperature were introduced reflecting in an increase of the content of H2 and CO. Solubility measurements were conducted for the binary systems of gas and water at elevated pressures and temperatures.

Dual spaces of local Morrey-type spaces

OpenAIRE

Gogatishvili, A. (Amiran); Mustafayev, R. (Rza)

2011-01-01

In this paper we show that associated spaces and dual spaces of the local Morrey-type spaces are so called complementary local Morrey-type spaces. Our method is based on an application of multidimensional reverse Hardy inequalities.

Supercritical fluid-mediated liposomes containing cyclosporin A for the treatment of dry eye syndrome in a rabbit model: comparative study with the conventional cyclosporin A emulsion.

Science.gov (United States)

Karn, Pankaj Ranjan; Kim, Hyun Do; Kang, Han; Sun, Bo Kyung; Jin, Su-Eon; Hwang, Sung-Joo

2014-01-01

The objective of this study was to compare the efficacy of cyclosporin (CsA)-encapsulated liposomes with the commercially available CsA emulsion (Restasis) for the treatment of dry eye syndrome in rabbits. Liposomes containing CsA were prepared by the supercritical fluid (SCF) method consisted of phosphatidylcholine from soybean (SCF-S100) and egg lecithins (SCF-EPCS). An in vitro permeation study was carried out using artificial cellulose membrane in Franz diffusion cells. Dry eye syndrome was induced in male albino rabbits and further subdivided into untreated, Restasis-treated, EPCS, and S100-treated groups. Tear formation in the dry-eye-induced rabbits was evaluated using the Schirmer tear test. All formulations were also evaluated by ocular irritation tests using the Draize eye and winking methods with the determination of CsA concentration in rabbit tears. After the treatment, the Schirmer tear test value significantly improved in EPCS-treated (P=0.005) and S100-treated (P=0.018) groups compared to the Restasis-treated group. The AUC₀₋₂₄ h for rabbit's tear film after the administration of SCF-S100 was 32.75±9.21 μg·h/mg which was significantly higher than that of 24.59±8.69 μg·h/mg reported with Restasis. Liposomal CsA formulations used in this study showed lower irritation in rabbit eyes compared with Restasis. These results demonstrate that the novel SCF-mediated liposomal CsA promises a significant improvement in overcoming the challenges associated with the treatment of dry eyes.

Nedd8 processing enzymes in Schizosaccharomyces pombe

DEFF Research Database (Denmark)

O'Donoghue, Jean; Bech-Otschir, Dawadschargal; Larsen, Ida

2013-01-01

Conjugation of the ubiquitin-like modifier Nedd8 to cullins is critical for the function of SCF-type ubiquitin ligases and thus facilitates ubiquitin conjugation and ultimately degradation of SCF substrates, including several cell cycle regulators. Like ubiquitin, Nedd8 is produced as a precursor...... that must first be processed before it becomes active. In Saccharomyces cerevisiae this is carried out exclusively by the enzyme Yuh1....

40 CFR 61.245 - Test methods and procedures.

Science.gov (United States)

2010-07-01

...: EC15NO91.055 Where: HT = Net heating value of the sample, MJ/scm (BTU/scf); where the net enthalpy per mole....740 × 10 7 (g-mole) (MJ)/(ppm-scm-kcal) (metric units); or 4.674 × 108 ((g-mole) (Btu)/(ppm-scf-kcal)) (English units) Ci = Concentration of sample component “i” in ppm, as measured by Method 18 of appendix A...

Jahn-Teller effect in vanadium, niobium and tantalum tetrafluoride molecules: ab initio study by the CASSCF method

International Nuclear Information System (INIS)

Solomonik, V.G.; Pogrebnaya, T.P.

2001-01-01

The basic and the first exciting electronic state of the VF 4 , NbF 4 and TaF 4 molecules were studied by the self-consistent field multifunctional method in the approximation of active orbitals full space. The symmetry of these states is defined as 2 E and 2 T 2 at tetrahedron configuration of the nuclei. The energies of electron excitation 2 E → 2 T 2 comprise 11610 (VF 4 ), 13450 (NbF 4 ) and 12560 cm -1 (TaF 4 ). In line to Jahn-Teller theorem the calculations evidenced instability of tetrahedron configuration of the molecules in the orbital-singular electronic states 2 E and 2 T 2 . The properties of the systems of the molecule potential energies were found, in keeping with deformation of tetrahedron configuration of the nuclei along the oscillation coordinates of the e symmetry, active in the Jahn-Teller effect. Equilibrium geometric configuration of the molecules with the lowest energy has a symmetry D 2d as in the basic ( 2 A 1 ), so in the first excited electronic state. The energy of the adiabatic electronic excitation 2 A 1 → 2 B 2 is equal to 8440 (VF 4 ), 9050 (NbF 4 ) and 11920 cm -1 (TaF 4 ). Deviations of molecules equilibrium geometry on the structure of the normal tetrahedron and the energy of Jahn-Teller stabilization E JT grow essentially in the series of the molecules VF 4 → NbF 4 → TaF 4 : E JT =E(T d , 2 E)Epy - E(D 2d , 2 A 1 )=412, 1856, 5970 cm -1 ; E JT =E(T d , 2 T 2 ) - E(D 2d , 2 B 2 )=3584, 6259, 6611 cm -1 . The quadratic force constants, the frequencies of normal oscillations and the intensities in the IR spectra of the VF 4 , NbF 4 and TaF 4 molecules in the basic state were calculated [ru

Banach spaces of continuous functions as dual spaces

CERN Document Server

Dales, H G; Lau, A T -M; Strauss, D

2016-01-01

This book gives a coherent account of the theory of Banach spaces and Banach lattices, using the spaces C_0(K) of continuous functions on a locally compact space K as the main example. The study of C_0(K) has been an important area of functional analysis for many years. It gives several new constructions, some involving Boolean rings, of this space as well as many results on the Stonean space of Boolean rings. The book also discusses when Banach spaces of continuous functions are dual spaces and when they are bidual spaces.

Changes in mast cell number and stem cell factor expression in human skin after radiotherapy for breast cancer

International Nuclear Information System (INIS)

Westbury, Charlotte B.; Freeman, Alex; Rashid, Mohammed; Pearson, Ann; Yarnold, John R.; Short, Susan C.

2014-01-01

Background and purpose: Mast cells are involved in the pathogenesis of radiation fibrosis and may be a therapeutic target. The mechanism of increased mast cell number in relation to acute and late tissue responses in human skin was investigated. Materials and methods: Punch biopsies of skin 1 and 15–18 months after breast radiotherapy and a contralateral control biopsy were collected. Mast cells were quantified by immunohistochemistry using the markers c-Kit and tryptase. Stem cell factor (SCF) and collagen-1 expression was analysed by qRT-PCR. Clinical photographic scores were performed at post-surgical baseline and 18 months and 5 years post-radiotherapy. Primary human dermal microvascular endothelial cell (HDMEC) cultures were exposed to 2 Gy ionising radiation and p53 and SCF expression was analysed by Western blotting and ELISA. Results: Dermal mast cell numbers were increased at 1 (p = 0.047) and 18 months (p = 0.040) using c-Kit, and at 18 months (p = 0.024) using tryptase immunostaining. Collagen-1 mRNA in skin was increased at 1 month (p = 0.047) and 18 months (p = 0.032) and SCF mRNA increased at 1 month (p = 0.003). None of 16 cases scored had a change in photographic appearance at 5 years, compared to baseline. SCF expression was not increased in HDMECs irradiated in vitro. Conclusions: Increased mast cell number was associated with up-regulated collagen-1 expression in human skin at early and late time points. This increase could be secondary to elevated SCF expression at 1 month after radiotherapy. Although mast cells accumulate around blood vessels, no endothelial cell secretion of SCF was seen after in vitro irradiation. Modification of mast cell number and collagen-1 expression may be observed in skin at 1 and 18 months after radiotherapy in breast cancer patients with no change in photographic breast appearance at 5 years

Characterization and stability studies of a novel liposomal cyclosporin A prepared using the supercritical fluid method: comparison with the modified conventional Bangham method

Directory of Open Access Journals (Sweden)

Karn PR

2013-01-01

Full Text Available Pankaj Ranjan Karn,1,3 Wonkyung Cho,1,3 Hee-Jun Park,1,3 Jeong-Sook Park,3 Sung-Joo Hwang1,21Yonsei Institute of Pharmaceutical Sciences, Yonsei University, Yeonsu-gu, Incheon, Republic of Korea; 2College of Pharmacy, Yonsei University, Yeonsu-gu, Incheon, Republic of Korea; 3College of Pharmacy, Chungnam National University, Yuseong-gu, Daejeon, Republic of KoreaAbstract: A novel method to prepare cyclosporin A encapsulated liposomes was introduced using supercritical fluid of carbon dioxide (SCF-CO2 as an antisolvent. To investigate the strength of the newly developed SCF-CO2 method compared with the modified conventional Bangham method, particle size, zeta potential, and polydispersity index (PDI of both liposomal formulations were characterized and compared. In addition, entrapment efficiency (EE and drug loading (DL characteristics were analyzed by reversed-phase high-performance liquid chromatography. Significantly larger particle size and PDI were revealed from the conventional method, while EE (% and DL (% did not exhibit any significant differences. The SCF-CO2 liposomes were found to be relatively smaller, multilamellar, and spherical with a smoother surface as determined by transmission electron microscopy. SCF-CO2 liposomes showed no significant differences in their particle size and PDI after more than 3 months, whereas conventional liposomes exhibited significant changes in their particle size. The initial yield (%, EE (%, and DL (% of SCF-CO2 liposomes and conventional liposomes were 90.98 ± 2.94, 92.20 ± 1.36, 20.99 ± 0.84 and 90.72 ± 2.83, 90.24 ± 1.37, 20.47 ± 0.94, respectively, which changed after 14 weeks to 86.65 ± 0.30, 87.63 ± 0.72, 18.98 ± 0.22 and 75.04 ± 8.80, 84.59 ± 5.13, 15.94 ± 2.80, respectively. Therefore, the newly developed SCF-CO2 method could be a better alternative compared with the conventional method and may provide a promising approach for large-scale production of liposomes

Changes in Biomass Carbon and Soil Organic Carbon Stocks following the Conversion from a Secondary Coniferous Forest to a Pine Plantation.

Directory of Open Access Journals (Sweden)

Shuaifeng Li

Full Text Available The objectives of this study were to estimate changes of tree carbon (C and soil organic carbon (SOC stock following a conversion in land use, an issue that has been only insufficiently addressed. For this study, we examined a chronosequence of 2 to 54-year-old Pinus kesiya var. langbianensis plantations that replaced the original secondary coniferous forest (SCF in Southwest China due to clearing. C stocks considered here consisted of tree, understory, litter, and SOC (0-1 m. The results showed that tree C stocks ranged from 0.02±0.001 Mg C ha-1 to 141.43±5.29 Mg C ha-1, and increased gradually with the stand age. Accumulation of tree C stocks occurred in 20 years after reforestaion and C stock level recoverd to SCF. The maximum of understory C stock was found in a 5-year-old stand (6.74±0.7 Mg C ha-1 with 5.8 times that of SCF, thereafter, understory C stock decreased with the growth of plantation. Litter C stock had no difference excluding effects of prescribed burning. Tree C stock exhibited a significant decline in the 2, 5-year-old stand following the conversion to plantation, but later, increased until a steady state-level in the 20, 26-year-old stand. The SOC stocks ranged from 81.08±10.13 Mg C ha-1 to 160.38±17.96 Mg C ha-1. Reforestation significantly decreased SOC stocks of plantation in the 2-year-old stand which lost 42.29 Mg C ha-1 in the 1 m soil depth compared with SCF by reason of soil disturbance from sites preparation, but then subsequently recovered to SCF level. SOC stocks of SCF had no significant difference with other plantation. The surface profile (0-0.1 m contained s higher SOC stocks than deeper soil depth. C stock associated with tree biomass represented a higher proportion than SOC stocks as stand development proceeded.

Space-Time Crystal and Space-Time Group.

Science.gov (United States)

Xu, Shenglong; Wu, Congjun

2018-03-02

Crystal structures and the Bloch theorem play a fundamental role in condensed matter physics. We extend the static crystal to the dynamic "space-time" crystal characterized by the general intertwined space-time periodicities in D+1 dimensions, which include both the static crystal and the Floquet crystal as special cases. A new group structure dubbed a "space-time" group is constructed to describe the discrete symmetries of a space-time crystal. Compared to space and magnetic groups, the space-time group is augmented by "time-screw" rotations and "time-glide" reflections involving fractional translations along the time direction. A complete classification of the 13 space-time groups in one-plus-one dimensions (1+1D) is performed. The Kramers-type degeneracy can arise from the glide time-reversal symmetry without the half-integer spinor structure, which constrains the winding number patterns of spectral dispersions. In 2+1D, nonsymmorphic space-time symmetries enforce spectral degeneracies, leading to protected Floquet semimetal states. We provide a general framework for further studying topological properties of the (D+1)-dimensional space-time crystal.

Acquisition and evaluation of verb subcategorization resources for biomedicine.

Science.gov (United States)

Rimell, Laura; Lippincott, Thomas; Verspoor, Karin; Johnson, Helen L; Korhonen, Anna

2013-04-01

Biomedical natural language processing (NLP) applications that have access to detailed resources about the linguistic characteristics of biomedical language demonstrate improved performance on tasks such as relation extraction and syntactic or semantic parsing. Such applications are important for transforming the growing unstructured information buried in the biomedical literature into structured, actionable information. In this paper, we address the creation of linguistic resources that capture how individual biomedical verbs behave. We specifically consider verb subcategorization, or the tendency of verbs to "select" co-occurrence with particular phrase types, which influences the interpretation of verbs and identification of verbal arguments in context. There are currently a limited number of biomedical resources containing information about subcategorization frames (SCFs), and these are the result of either labor-intensive manual collation, or automatic methods that use tools adapted to a single biomedical subdomain. Either method may result in resources that lack coverage. Moreover, the quality of existing verb SCF resources for biomedicine is unknown, due to a lack of available gold standards for evaluation. This paper presents three new resources related to verb subcategorization frames in biomedicine, and four experiments making use of the new resources. We present the first biomedical SCF gold standards, capturing two different but widely-used definitions of subcategorization, and a new SCF lexicon, BioCat, covering a large number of biomedical sub-domains. We evaluate the SCF acquisition methodologies for BioCat with respect to the gold standards, and compare the results with the accuracy of the only previously existing automatically-acquired SCF lexicon for biomedicine, the BioLexicon. Our results show that the BioLexicon has greater precision while BioCat has better coverage of SCFs. Finally, we explore the definition of subcategorization using these

Stress Concentration Factor of Expanded Aluminum Tubes Using Finite Element Modeling

Directory of Open Access Journals (Sweden)

L Mhamdi

2013-06-01

Full Text Available This paper discusses the development of semi-empirical relations for the maximum stress concentration factor (SCF around circular holes embedded in aluminum tubes under various expansion ratios and mandrel angles. Finite element models were developed to study the expansion of a typical aluminum tube with embedded holes of various sizes. An elastic perfectly-plastic material behaviour was used to describe the structural response of the tubes under expansion. Various hole-diameter-to-tubewall- thickness ratios, tube expansion ratios, and mandrel angles were considered to determine the stress state around the hole at zero and 90 degree locations from which the maximum SCF was determined. Semi-empirical relations for the maximum SCF using the Lagrange interpolation formulation were developed. The developed relations were found to predict the SCFs accurately.

Influence of thermal treatment and γ-radiation on absorption, luminescence and scintillation properties of Lu3Al5O12:Ce single crystalline films

International Nuclear Information System (INIS)

Zorenko, Yu.; Pavlyk, B.; Turchak, R.; Zorenko, T.; Gorbenko, V.; Konstankevych, I.; Savchyn, V.; Voznyak, T.

2007-01-01

The influence of thermal treatment (TT) and irradiation by γ-quanta ( 60 Co, 1.25 MeV) in the range of absorbed doses 10 6 -10 8 R on the absorption, luminescence and light yield (LY) of scintillators based on Lu 3 Al 5 O 12 :Ce (LuAG:Ce) single crystalline films (SCF) grown by LPE from the Pb-based flux is studied. It has been shown that transformation of the Fe 3+ ↔Fe 2+ and Pb 2+ ↔Pb 4+ valent states of iron and lead trace impurities cause the change in the optical absorption of SCF induced by the TT in air and vacuum in the range of annealing temperatures of 800-1200 0 C. Possible types of radiation defects in LuAG:Ce SCF induced by γ-radiation are analyzed

Interleukin-4 and 13 induce the expression and release of monocyte chemoattractant protein 1, interleukin-6 and stem cell factor from human detrusor smooth muscle cells: synergy with interleukin-1beta and tumor necrosis factor-alpha

DEFF Research Database (Denmark)

Bouchelouche, Kirsten; Andresen, Lars; Alvarez, Susana

2006-01-01

Interstitial cystitis is characterized by an increased number of activated MCs in the detrusor muscle. However, to our knowledge the factors that influence the anatomical relationship between MCs and HDSMCs are unknown. MCP-1, IL-6 and SCF have a critical role in the regulation of MC development,......, signaling and function. We investigated whether HDSMCs are capable of expressing and releasing MCP-1, IL-6 and SCF in response to IL-4, IL-13, IL-1beta and tumor necrosis factor-alpha.......Interstitial cystitis is characterized by an increased number of activated MCs in the detrusor muscle. However, to our knowledge the factors that influence the anatomical relationship between MCs and HDSMCs are unknown. MCP-1, IL-6 and SCF have a critical role in the regulation of MC development...

NewSpace: The Emerging Commercial Space Industry

Science.gov (United States)

Martin, Gary

2016-01-01

A lecture to students at the International Space University. Topics include: - We are at a turning point in the history of space exploration and development the cusp of a revolution, new industries are being born that use space in many non-traditional ways - The established military industrial space sector is no longer the only game in town - Increased competition and new capabilities will change the marketplace forever - Everyone interested in working in the space sector will be affected.

Space Commercialization and the Development of Space Law

Science.gov (United States)

Yun, Zhao

2017-05-01

Shortly after the launch of the first manmade satellite in 1957, the United Nations (UN) took the lead in formulating international rules governing space activities. The five international conventions (i.e., the 1967 Outer Space Treaty, the 1968 Rescue Agreement, the 1972 Liability Convention, the 1975 Registration Convention, and the 1979 Moon Agreement) within the UN framework constitute the nucleus of space law; laying a solid legal foundation for securing the smooth development of space activities over the next few decades. Outer space was soon found to be a place with abundant opportunities for commercialization: with telecommunications services the first and most successful commercial application followed by remote sensing and global navigation services. In the last decade, the rapid development of space technologies brought space tourism and space mining to the forefront as well. With more and more commercial activities taking place on a daily basis from the 1980s on, existing space law faces severe challenges. The five conventions, which were enacted at a time when space was monopolized by two superpowers—the United States and the former Soviet Union—also failed to take into account the commercial aspect of space activities. Although there are urgent needs for new rules to deal with the ongoing trend of space commercialization, the international society faces difficulties in adopting new rules due to diversified national interests. As a result, it adjusts legislative strategies by enacting soft laws. In view of the difficulty in adopting binding rules at the international level, states are encouraged to enact their own national space legislation providing sufficient guidance for their domestic space commercial activities. It is expected that the development of soft laws and national space legislation will be the mainstream regulatory activities in the space field for the foreseeable future.

Preparing future space leaders - International Space University

Science.gov (United States)

Stone, Barbara A.; Van Reeth, George P.

1992-01-01

The International Space University (ISU) concept of developing a cadre of space professionals that will lead the universities and industries into space is discussed. ISU is an innovative, permanent worldwide organization for training and academic instruction in all aspects of space studies. ISU's major goal is to provide the young professional academic instruction in technical and nontechnical areas of modern space exploration and research, and a forum to exchange ideas and develop both personal and professional ties at an international level.

Self-Determination in Health Research: An Alaska Native Example of Tribal Ownership and Research Regulation

OpenAIRE

Vanessa Y. Hiratsuka; Julie A. Beans; Renee F. Robinson; Jennifer L. Shaw; Ileen Sylvester; Denise A. Dillard

2017-01-01

Alaska Native (AN) and American Indian (AI) people are underrepresented in health research, yet many decline to participate in studies due to past researcher misconduct. Southcentral Foundation (SCF), an Alaska Native-owned and operated health care organization, is transforming the relationship between researchers and the tribal community by making trust and accountability required features of health research in AN/AI communities. In 1998, SCF assumed ownership from the federal government of ...

Yearbook on space policy 2015 access to space and the evolution of space activities

CERN Document Server

Baranes, Blandina; Hulsroj, Peter; Lahcen, Arne

2017-01-01

The Yearbook on Space Policy, edited by the European Space Policy Institute (ESPI), is the reference publication analysing space policy developments. Each year it presents issues and trends in space policy and the space sector as a whole. Its scope is global and its perspective is European. The Yearbook also links space policy with other policy areas. It highlights specific events and issues, and provides useful insights, data and information on space activities. The first part of the Yearbook sets out a comprehensive overview of the economic, political, technological and institutional trends that have affected space activities. The second part of the Yearbook offers a more analytical perspective on the yearly ESPI theme and consists of external contributions written by professionals with diverse backgrounds and areas of expertise. The third part of the Yearbook carries forward the character of the Yearbook as an archive of space activities. The Yearbook is designed for government decision-makers and agencies...

Space Science in Action: Space Exploration [Videotape].

Science.gov (United States)

1999

In this videotape recording, students learn about the human quest to discover what is out in space. Students see the challenges and benefits of space exploration including the development of rocket science, a look back at the space race, and a history of manned space travel. A special section on the Saturn V rocket gives students insight into the…

Twistor space, Minkowski space and the conformal group

International Nuclear Information System (INIS)

Broek, P.M. van den

1983-01-01

It is shown that the conformal group of compactified Minkowski space is isomorphic to a group of rays of semilinear transformations of twistor space. The action of the conformal group on twistor space is given by an explicit realisation of this isomorphism. In this way we determine the transformation of twistor space under space inversion and time inversion. (orig.)

Space Threat Warning: Foundation for Space Superiority, Avoiding a Space Pearl Harbor

National Research Council Canada - National Science Library

Burke, Alan W

2006-01-01

... have stated the US must avoid a space Pearl Harbor. This concern is due to the idea that a decrease in the perceived threat to space assets after the demise of the Soviet Union coupled with a competition for space resources has resulted...

The Use of Trust Regions in Kohn-Sham Total Energy Minimization

International Nuclear Information System (INIS)

Yang, Chao; Meza, Juan C.; Wang, Lin-wang

2006-01-01

The Self Consistent Field (SCF) iteration, widely used for computing the ground state energy and the corresponding single particle wave functions associated with a many-electron atomistic system, is viewed in this paper as an optimization procedure that minimizes the Kohn-Sham total energy indirectly by minimizing a sequence of quadratic surrogate functions. We point out the similarity and difference between the total energy and the surrogate, and show how the SCF iteration can fail when the minimizer of the surrogate produces an increase in the KS total energy. A trust region technique is introduced as a way to restrict the update of the wave functions within a small neighborhood of an approximate solution at which the gradient of the total energy agrees with that of the surrogate. The use of trust region in SCF is not new. However, it has been observed that directly applying a trust region based SCF(TRSCF) to the Kohn-Sham total energy often leads to slow convergence. We propose to use TRSCF within a direct constrained minimization(DCM) algorithm we developed in dcm. The key ingredients of the DCM algorithm involve projecting the total energy function into a sequence of subspaces of small dimensions and seeking the minimizer of the total energy function within each subspace. The minimizer of a subspace energy function, which is computed by TRSCF, not only provides a search direction along which the KS total energy function decreases but also gives an optimal 'step-length' that yields a sufficient decrease in total energy. A numerical example is provided to demonstrate that the combination of TRSCF and DCM is more efficient than SCF

Game Theoretic Analysis of Cooperative Message Forwarding in Opportunistic Mobile Networks.

Science.gov (United States)

Pal, Sujata; Saha, Barun Kumar; Misra, Sudip

2017-12-01

In cooperative communication, a set of players forming a coalition ensures communal behavior among themselves by helping one another in message forwarding. Opportunistic mobile networks (OMNs) require multihop communications for transferring messages from the source to the destination nodes. However, noncooperative nodes only forward their own messages to others, and drop others' messages upon receiving them. So, the message delivery overhead increases in OMN. For minimizing the overhead and maximizing the delivery rate, we propose two coalition-based cooperative schemes: 1) simple coalition formation (SCF) and 2) overlapping coalition formation (OCF) game. In SCF, we consider the presence of a central information center, whereas OCF is a fully distributed scheme. In SCF, coalitions are disjoint, whereas in OCF, a node may be the member of multiple coalitions at the same time. All nodes in a coalition help each other cooperatively by forwarding group messages to the intermediate or destination nodes. The goal of the nodes is to achieve high success rate in delivering messages. The proposed SCF scheme is cohesive, in which disjoint coalitions always combine to form grand coalition. In OCF, a node reaches a stable grand coalition when all the nodes of the OMN are members of overlapping coalition of the node. No node gains by deviating from the grand coalition in SCF and OCF. Simulation results based on synthetic mobility model and real-life traces show that the message delivery ratio of OMNs increase by up to 67%, as compared to the noncooperative scenario. Moreover, the message overhead ratio using the proposed coalition-based schemes reduces by up to about (1/3)rd of that of the noncooperative communication scheme.

Random-walk simulation of the Schrodinger equation: H+3

International Nuclear Information System (INIS)

Anderson, J.B.

1975-01-01

A simple random-walk method for obtaining ab initio solutions of the Schrodinger equation is examined in its application to the case of the molecular ion H + 3 in the equilateral triangle configuration with side length R=1.66 bohr. The method, which is based on the similarity of the Schrodinger equation and the diffusion equation, involves the random movement of imaginary particles (psips) in electron configuration space subject to a variable chance of multiplication or disappearance. The computation requirements for high accuracy in determining energies of H + 3 are greater than those of existing LCAO--MO--SCF--CI methods. For more complex molecular systems the method may be competitive. (auth)

Space Sustainment: A New Approach for America in Space

Science.gov (United States)

2014-12-01

international community toward promoting market incentives in international space law. This would open up the competitive space for new entrants ...announces- new -space-situational-awareness-satellite-program.aspx. 29. Gruss, “U.S. Space Assets Face Growing Threat .” 30. McDougall, Heavens and the...November–December 2014 Air & Space Power Journal | 117 SCHRIEVER ESSAY WINNER SECOND PLACE Space Sustainment A New Approach for America in Space Lt

Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding.

Science.gov (United States)

Kowalczyk, Tim; Le, Khoa; Irle, Stephan

2016-01-12

We present an implementation of energies and gradients for the ΔDFTB method, an analogue of Δ-self-consistent-field density functional theory (ΔSCF) within density-functional tight-binding, for the lowest singlet excited state of closed-shell molecules. Benchmarks of ΔDFTB excitation energies, optimized geometries, Stokes shifts, and vibrational frequencies reveal that ΔDFTB provides a qualitatively correct description of changes in molecular geometries and vibrational frequencies due to excited-state relaxation. The accuracy of ΔDFTB Stokes shifts is comparable to that of ΔSCF-DFT, and ΔDFTB performs similarly to ΔSCF with the PBE functional for vertical excitation energies of larger chromophores where the need for efficient excited-state methods is most urgent. We provide some justification for the use of an excited-state reference density in the DFTB expansion of the electronic energy and demonstrate that ΔDFTB preserves many of the properties of its parent ΔSCF approach. This implementation fills an important gap in the extended framework of DFTB, where access to excited states has been limited to the time-dependent linear-response approach, and affords access to rapid exploration of a valuable class of excited-state potential energy surfaces.

On the existence of the optimal order for wavefunction extrapolation in Born-Oppenheimer molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Fang, Jun; Wang, Han, E-mail: wang-han@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, Beijing (China); CAEP Software Center for High Performance Numerical Simulation, Beijing (China); Gao, Xingyu; Song, Haifeng [Institute of Applied Physics and Computational Mathematics, Beijing (China); CAEP Software Center for High Performance Numerical Simulation, Beijing (China); Laboratory of Computational Physics, Beijing (China)

2016-06-28

Wavefunction extrapolation greatly reduces the number of self-consistent field (SCF) iterations and thus the overall computational cost of Born-Oppenheimer molecular dynamics (BOMD) that is based on the Kohn–Sham density functional theory. Going against the intuition that the higher order of extrapolation possesses a better accuracy, we demonstrate, from both theoretical and numerical perspectives, that the extrapolation accuracy firstly increases and then decreases with respect to the order, and an optimal extrapolation order in terms of minimal number of SCF iterations always exists. We also prove that the optimal order tends to be larger when using larger MD time steps or more strict SCF convergence criteria. By example BOMD simulations of a solid copper system, we show that the optimal extrapolation order covers a broad range when varying the MD time step or the SCF convergence criterion. Therefore, we suggest the necessity for BOMD simulation packages to open the user interface and to provide more choices on the extrapolation order. Another factor that may influence the extrapolation accuracy is the alignment scheme that eliminates the discontinuity in the wavefunctions with respect to the atomic or cell variables. We prove the equivalence between the two existing schemes, thus the implementation of either of them does not lead to essential difference in the extrapolation accuracy.

NASA Space Environments Technical Discipline Team Space Weather Activities

Science.gov (United States)

Minow, J. I.; Nicholas, A. C.; Parker, L. N.; Xapsos, M.; Walker, P. W.; Stauffer, C.

2017-12-01

The Space Environment Technical Discipline Team (TDT) is a technical organization led by NASA's Technical Fellow for Space Environments that supports NASA's Office of the Chief Engineer through the NASA Engineering and Safety Center. The Space Environments TDT conducts independent technical assessments related to the space environment and space weather impacts on spacecraft for NASA programs and provides technical expertise to NASA management and programs where required. This presentation will highlight the status of applied space weather activities within the Space Environment TDT that support development of operational space weather applications and a better understanding of the impacts of space weather on space systems. We will first discuss a tool that has been developed for evaluating space weather launch constraints that are used to protect launch vehicles from hazardous space weather. We then describe an effort to better characterize three-dimensional radiation transport for CubeSat spacecraft and processing of micro-dosimeter data from the International Space Station which the team plans to make available to the space science community. Finally, we will conclude with a quick description of an effort to maintain access to the real-time solar wind data provided by the Advanced Composition Explorer satellite at the Sun-Earth L1 point.

Compact space-like hypersurfaces in de Sitter space

OpenAIRE

Lv, Jinchi

2005-01-01

We present some integral formulas for compact space-like hypersurfaces in de Sitter space and some equivalent characterizations for totally umbilical compact space-like hypersurfaces in de Sitter space in terms of mean curvature and higher-order mean curvatures.

Improved fireman's compressed air breathing system pressure vessel development program

Science.gov (United States)

King, H. A.; Morris, E. E.

1973-01-01

Prototype high pressure glass filament-wound, aluminum-lined pressurant vessels suitable for use in a fireman's compressed air breathing system were designed, fabricated, and acceptance tested in order to demonstrate the feasibility of producing such high performance, lightweight units. The 4000 psi tanks have a 60 standard cubic foot (SCF) air capacity, and have a 6.5 inch diamter, 19 inch length, 415 inch volume, weigh 13 pounds when empty, and contain 33 percent more air than the current 45 SCF (2250 psi) steel units. The current steel 60 SCF (3000 psi) tanks weigh approximately twice as much as the prototype when empty, and are 2 inches, or 10 percent shorter. The prototype units also have non-rusting aluminum interiors, which removes the hazard of corrosion, the need for internal coatings, and the possibility of rust particles clogging the breathing system.

Space Physiology and Operational Space Medicine

Science.gov (United States)

Scheuring, Richard A.

2009-01-01

The objectives of this slide presentation are to teach a level of familiarity with: the effects of short and long duration space flight on the human body, the major medical concerns regarding future long duration missions, the environmental issues that have potential medical impact on the crew, the role and capabilities of the Space Medicine Flight Surgeon and the environmental impacts experienced by the Apollo crews. The main physiological effects of space flight on the human body reviewed in this presentation are: space motion sickness (SMS), neurovestibular, cardiovascular, musculoskeletal, immune/hematopoietic system and behavioral/psycho-social. Some countermeasures are discussed to these effects.

Concerted and stepwise mechanisms in cycloaddition reactions: potential surfaces and isotope effects

International Nuclear Information System (INIS)

Houk, K.N.; Yi Li; Storer, Joey; Raimondi, Laura; Beno, Brett

1994-01-01

CASSCF/6-31G * calculations have been performed on concerted and stepwise Diels-Alder reactions of butadiene with ethene, the dimerization of butadiene, and the dimerization of cyclobutadiene. The relative energies of concerted and stepwise mechanisms are compared, and the factors influencing these ''energies of concert'' are discussed. The comparison of calculated isotope effects to experimental data provides support for theoretical results. (Author)

On the low-lying states of TiC

Science.gov (United States)

Bauschlicher, C. W., Jr.; Siegbahn, P. E. M.

1984-01-01

The ground and low-lying excited states of TiC are investigated using a CASSCF-externally contracted CI approach. The calculations yield a 3Sigma(+) ground state, but the 1Sigma(+) state is only 780/cm higher and cannot be ruled out. The low-lying states have some triple bond character. The nature of the bonding and origin of the states are discussed.

Space Commercialization

Science.gov (United States)

Martin, Gary L.

2011-01-01

A robust and competitive commercial space sector is vital to continued progress in space. The United States is committed to encouraging and facilitating the growth of a U.S. commercial space sector that supports U.S. needs, is globally competitive, and advances U.S. leadership in the generation of new markets and innovation-driven entrepreneurship. Energize competitive domestic industries to participate in global markets and advance the development of: satellite manufacturing; satellite-based services; space launch; terrestrial applications; and increased entrepreneurship. Purchase and use commercial space capabilities and services to the maximum practical extent Actively explore the use of inventive, nontraditional arrangements for acquiring commercial space goods and services to meet United States Government requirements, including measures such as public-private partnerships, . Refrain from conducting United States Government space activities that preclude, discourage, or compete with U.S. commercial space activities. Pursue potential opportunities for transferring routine, operational space functions to the commercial space sector where beneficial and cost-effective.

Blockchain-driven supply chain finance: Towards a conceptual framework from a buyer perspective: Presentation held at 26th Annual IPSERA Conference 2017, 09-12 April 2017, Budapest

OpenAIRE

Omran, Yaghoob; Henke, Michael; Heines, Roger; Hofmann, Erik

2017-01-01

The main objective of this article is to develop a conceptual framework for blockchain-driven supply chain finance (SCF) solutions. The frame of reference intends to foster the coordination in buyer-supplier relations and eliminates existing inefficiencies in the execution of discrete SCF-instruments, such as reverse factoring and dynamic discounting. Moreover, we introduce value drivers for blockchain technology (BCT) to elaborate unique characteristics for its application in the field of SC...

Blockchain-driven supply chain finance: Towards a conceptual framework from a buyer perspective

OpenAIRE

Omran, Yaghoob; Henke, Michael; Heines, Roger; Hofmann, Erik

2017-01-01

The main objective of this article is to develop a conceptual framework for blockchain-driven supply chain finance (SCF) solutions. The frame of reference intends to foster the coordination in buyer-supplier relations and eliminates existing inefficiencies in the execution of discrete SCF-instruments, such as reverse factoring and dynamic discounting. Moreover, we introduce value drivers for blockchain technology (BCT) to elaborate unique characteristics for its application in the field of SC...

Direct dehydroxytrifluoromethylthiolation of alcohols using silver(I) trifluoromethanethiolate and tetra-n-butylammonium iodide.

Science.gov (United States)

Liu, Jian-Bo; Xu, Xiu-Hua; Chen, Zeng-Hao; Qing, Feng-Ling

2015-01-12

An unprecedented reaction for the direct trifluoromethylthiolation and fluorination of alkyl alcohols using AgSCF3 and nBu4NI has been developed. The trifluoromethylthiolated compounds and alkyl fluorides were selectively formed by changing the ratio of AgSCF3/nBu4NI. This protocol is tolerant of different functional groups and might be applicable to late-stage trifluoromethylthiolation of alcohols. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multifunction Sr, Co and F co-doped microporous coating on titanium of antibacterial, angiogenic and osteogenic activities

OpenAIRE

Jianhong Zhou; Lingzhou Zhao

2016-01-01

Advanced multifunction titanium (Ti) based bone implant with antibacterial, angiogenic and osteogenic activities is stringently needed in clinic, which may be accomplished via incorporation of proper inorganic bioactive elements. In this work, microporous TiO2/calcium-phosphate coating on Ti doped with strontium, cobalt and fluorine (SCF-TiCP) was developed, which had a hierarchical micro/nano-structure with a microporous structure evenly covered with nano-grains. SCF-TiCP greatly inhibited t...

Space Colonization Using Space-Elevators from Phobos

Science.gov (United States)

Weinstein, Leonard M.

2003-01-01

A novel approach is examined for creating an industrial civilization beyond Earth. The approach would take advantage of the unique configuration of Mars and its moon Phobos to make a transportation system capable of raising mass from the surface of Mars to space at a low cost. Mars would be used as the primary location for support personnel and infrastructure. Phobos would be used as a source of raw materials for space-based activity, and as an anchor for tethered carbon-nanotube-based space-elevators. One space-elevator would terminate at the upper edge of Mars' atmosphere. Small craft would be launched from Mars' surface to rendezvous with the moving elevator tip and their payloads detached and raised with solar powered loop elevators to Phobos. Another space-elevator would be extended outward from Phobos to launch craft toward the Earth/Moon system or the asteroid belt. The outward tip would also be used to catch arriving craft. This approach would allow Mars to be colonized, and allow transportation of people and supplies from Mars to support the space industry. In addition, large quantities of material obtained from Phobos could be used to construct space habitats and also supply propellant and material for space industry in the Earth/Moon system as well as around Mars.

Recent applications of a QM/MM scheme at the CASPT2//CASSCF/AMBER (or CHARMM) level of theory in photochemistry and photobiology

International Nuclear Information System (INIS)

Sinicropi, A; Basosi, R; Olivucci, M

2008-01-01

The excited-state properties of chemically different chromophores embedded in diverse protein environments or in solution can be nowadays correctly evaluated by means of a hybrid quantum mechanics/molecular mechanics (QM/MM) computational strategy based on multiconfigurational perturbation theory and complete-active-space-self-consistent-field geometry optimization. In particular, in this article we show how a QM/MM strategy has been recently developed in our laboratory and has been successfully applied to the investigation of the fluorescence of the green fluorescent protein (GFP) and how the same strategy (embedding the chromophores in methanol solution) has been combined with retrosynthetic analysis to design a prototype light-driven Z/E molecular switch featuring a single reactive double bond and the same electronic structure and photoisomerization mechanism of the chromophore of the visual pigment Rhodopsin

Analogies between Kruskal space and de Sitter space

International Nuclear Information System (INIS)

Rindler, W.

1986-01-01

Kruskal space is the analytical completion of Schwarzschild space and it consists of two outside and two inside Schwarzchild regions. Under suppression of the two angular coordinates, this space is usually diagrammed in terms of the Kruskal coordinates, μ,upsilon, much like Minkowski space is in terms of x, y. In particular, radial light paths correspond to +- 45 0 lines, the hyperbolas of μ/sup 2/ - upsilon/sup 2/ = a/sup 2/ represent uniformly accelerated particles (these being at rest in outer Schwarzschild space), and Lorentz transformations in μ, upsilon map the space into itself. Hermann Weyl first gave the analytic completion of de Sitter space as a hyper-hyperboloid μ/sub 1//sup 2/ + μ/sub 2//sup 2/ + μ/sub 3//sup 2/ + μ/sub 4//sup 2/ - upsilon/sup 2/ = a/sup 2/ in five-dimensional Minkowski space, which also contains two outside inside de Sitter regions. In a Weyl diagram, μ/sub 3/ and μ/sub 4/ are suppressed. There are many analogies: Lorentz transformations in μ/sub i/, upsilon map Weyl space into itself, the +- 45 0 generators are light paths, timelike plane hyperbolic sections are uniformly accelerated particles, and the horizon structure relative to each free worldline is analogous to the absolute horizon structure in Kruskal space

Space Ethics and Protection of the Space Environment

Science.gov (United States)

Williamson, Mark

2002-01-01

The construction of the International Space Station in low Earth orbit and the formulation of plans to search for life on Mars - one day by means of manned missions - indicate that mankind is intent on making the space environment part of its domain. Publicity surrounding space tourism, in-space `burials' and the sale of lunar `real estate' suggests that, some time in the 21st century, the space environment will become an extraterrestrial extension of our current business and domestic environment. This prompts the question of our collective attitude towards the space environment and the degree to which we should regulate its use and protect it for future generations. What, indeed, are the ethical considerations of space exploration and development? Ethics can be defined as "the philosophical study of the moral value of human conduct, and of the rules or principles that ought to govern it". More practically, it represents "an approved code of behaviour" adopted, for example, by a group or profession. If a set of ethics is to be developed for space, it is important that what we refer to as the `space community', or `space profession', is intimately involved. Indeed, if it is not, the profession risks having the job done for it, for example by politicians and members of the general public, who for their own reasons may wish to place restrictions on space development, or ban it altogether. The terrestrial nuclear power industry, for example, has already suffered this fate, while widespread ignorance of the subject has led to a moratorium on the use of RTGs in spacecraft. However, there is a danger in the discussion of ethics that consideration is confined to the philosophical aspects, thus excusing those involved from providing practical solutions to the problems that emerge. The fact that mankind has already affected, and arguably damaged, the space environment transports the discussion beyond the philosophical realm. This paper offers a pragmatic analysis of one

Space Station technology testbed: 2010 deep space transport

Science.gov (United States)

Holt, Alan C.

1993-01-01

A space station in a crew-tended or permanently crewed configuration will provide major R&D opportunities for innovative, technology and materials development and advanced space systems testing. A space station should be designed with the basic infrastructure elements required to grow into a major systems technology testbed. This space-based technology testbed can and should be used to support the development of technologies required to expand our utilization of near-Earth space, the Moon and the Earth-to-Jupiter region of the Solar System. Space station support of advanced technology and materials development will result in new techniques for high priority scientific research and the knowledge and R&D base needed for the development of major, new commercial product thrusts. To illustrate the technology testbed potential of a space station and to point the way to a bold, innovative approach to advanced space systems' development, a hypothetical deep space transport development and test plan is described. Key deep space transport R&D activities are described would lead to the readiness certification of an advanced, reusable interplanetary transport capable of supporting eight crewmembers or more. With the support of a focused and highly motivated, multi-agency ground R&D program, a deep space transport of this type could be assembled and tested by 2010. Key R&D activities on a space station would include: (1) experimental research investigating the microgravity assisted, restructuring of micro-engineered, materials (to develop and verify the in-space and in-situ 'tuning' of materials for use in debris and radiation shielding and other protective systems), (2) exposure of microengineered materials to the space environment for passive and operational performance tests (to develop in-situ maintenance and repair techniques and to support the development, enhancement, and implementation of protective systems, data and bio-processing systems, and virtual reality and

Dual spaces of local Morrey-type spaces

Czech Academy of Sciences Publication Activity Database

Gogatishvili, Amiran; Mustafayev, Rza

2011-01-01

Roč. 61, č. 3 (2011), s. 609-622 ISSN 0011-4642 R&D Projects: GA ČR GA201/05/2033; GA ČR GA201/08/0383 Institutional research plan: CEZ:AV0Z10190503 Keywords : local Morrey-type spaces * complementary local Morrey-type spaces * associated spaces * dual spaces * multidimensional reverse Hardy inequalities Subject RIV: BA - General Mathematics Impact factor: 0.262, year: 2011 http://www.springerlink.com/content/3166vu5uht8713t3/

Space Toxicology: Human Health during Space Operations

Science.gov (United States)

Khan-Mayberry, Noreen; James, John T.; Tyl, ROchelle; Lam, Chiu-Wing

2010-01-01

Space Toxicology is a unique and targeted discipline for spaceflight, space habitation and occupation of celestial bodies including planets, moons and asteroids. Astronaut explorers face distinctive health challenges and limited resources for rescue and medical care during space operation. A central goal of space toxicology is to protect the health of the astronaut by assessing potential chemical exposures during spaceflight and setting safe limits that will protect the astronaut against chemical exposures, in a physiologically altered state. In order to maintain sustained occupation in space on the International Space Station (ISS), toxicological risks must be assessed and managed within the context of isolation continuous exposures, reuse of air and water, limited rescue options, and the need to use highly toxic compounds for propulsion. As we begin to explore other celestial bodies in situ toxicological risks, such as inhalation of reactive mineral dusts, must also be managed.

Non-commutative phase space and its space-time symmetry

International Nuclear Information System (INIS)

Li Kang; Dulat Sayipjamal

2010-01-01

First a description of 2+1 dimensional non-commutative (NC) phase space is presented, and then we find that in this formulation the generalized Bopp's shift has a symmetric representation and one can easily and straightforwardly define the star product on NC phase space. Then we define non-commutative Lorentz transformations both on NC space and NC phase space. We also discuss the Poincare symmetry. Finally we point out that our NC phase space formulation and the NC Lorentz transformations are applicable to any even dimensional NC space and NC phase space. (authors)

F-door spaces and F-submaximal spaces

Directory of Open Access Journals (Sweden)

Lobna Dridi

2013-04-01

Full Text Available Submaximal spaces and door spaces play an enigmatic role in topology. In this paper, reinforcing this role, we are concerned with reaching two main goals: The first one is to characterize topological spaces X such that F(X is a submaximal space (resp., door space for some covariant functor Ff rom the category Top to itself. T0, and FH functors are completely studied. Secondly, our interest is directed towards the characterization of maps f given by a flow (X, f in the category Set, such that (X,P(f is submaximal (resp., door where P(f is a topology on X whose closed sets are exactly the f-invariant sets.

Optimal ex vivo expansion of neutrophils from PBSC CD34+ cells by a combination of SCF, Flt3-L and G-CSF and its inhibition by further addition of TPO

Directory of Open Access Journals (Sweden)

Turner Marc L

2007-10-01

Full Text Available Abstract Background Autologous mobilised peripheral blood stem cell (PBSC transplantation is now a standard approach in the treatment of haematological diseases to reconstitute haematopoiesis following myeloablative chemotherapy. However, there remains a period of severe neutropenia and thrombocytopenia before haematopoietic reconstitution is achieved. Ex vivo expanded PBSC have been employed as an adjunct to unmanipulated HSC transplantation, but have tended to be produced using complex cytokine mixtures aimed at multilineage (neutrophil and megakaryocyte progenitor expansion. These have been reported to reduce or abrogate neutropenia but have little major effect on thrombocytopenia. Selective megakaryocyte expansion has been to date ineffective in reducing thrombocytopenia. This study was implemented to evaluate neutrophil specific rather than multilineage ex vivo expansion of PBSC for specifically focusing on reduction or abrogation of neutropenia. Methods CD34+ cells (PBSC were enriched from peripheral blood mononuclear cells following G-CSF-mobilisation and cultured with different permutations of cytokines to determine optimal cytokine combinations and doses for expansion and functional differentiation and maturation of neutrophils and their progenitors. Results were assessed by cell number, morphology, phenotype and function. Results A simple cytokine combination, SCF + Flt3-L + G-CSF, synergised to optimally expand and mature neutrophil progenitors assessed by cell number, phenotype, morphology and function (superoxide respiratory burst measured by chemiluminescence. G-CSF appears mandatory for functional maturation. Addition of other commonly employed cytokines, IL-3 and IL-6, had no demonstrable additive effect on numbers or function compared to this optimal combination. Addition of TPO, commonly included in multilineage progenitor expansion for development of megakaryocytes, reduced the maturation of neutrophil progenitors as assessed

On the photophysics and photochemistry of the water dimer

Energy Technology Data Exchange (ETDEWEB)

Segarra-Marti, Javier; Merchan, Manuela [Instituto de Ciencia Molecular, Universitat de Valencia, P.O. Box 22085, 46071 Valencia (Spain); Roca-Sanjuan, Daniel; Lindh, Roland [Department of Chemistry - Angstroem, Theoretical Chemistry Program, Uppsala University, Box 518, 75120 Uppsala (Sweden)

2012-12-28

The photochemistry of the water dimer irradiated by UV light is studied by means of the complete active space perturbation theory//complete active space self-consistent field (CASPT2//CASSCF) method and accurate computational approaches like as minimum energy paths. Both electronic structure computations and ab initio molecular dynamics simulations are carried out. The results obtained show small shifts relative to a single water molecule on the vertical excitation energies of the dimer due to the hydrogen bond placed between the water donor (W{sub D}) and the water acceptor (W{sub A}). A red-shift and a blue-shift are predicted for the W{sub D} and W{sub A}, respectively, supporting previous theoretical and experimental results. The photoinduced chemistry of the water dimer is described as a process occurring between two single water molecules in which the effect of the hydrogen bond plays a minor role. Thus, the photoinduced decay routes correspond to two photodissociation processes, one for each water molecule. The proposed mechanism for the decay channels of the lowest-lying excited states of the system is established as the photochemical production of a hydrogen-bonded H{sub 2}O Horizontal-Ellipsis HO species plus a hydrogen H atom.

Minimal and Maximal Operator Space Structures on Banach Spaces

OpenAIRE

P., Vinod Kumar; Balasubramani, M. S.

2014-01-01

Given a Banach space $X$, there are many operator space structures possible on $X$, which all have $X$ as their first matrix level. Blecher and Paulsen identified two extreme operator space structures on $X$, namely $Min(X)$ and $Max(X)$ which represents respectively, the smallest and the largest operator space structures admissible on $X$. In this note, we consider the subspace and the quotient space structure of minimal and maximal operator spaces.

Three Dimensional Parametric Analyses on Effect of Fibre Orientation for Stress Concentration Factor in Fibrous Composite Cantilever Plate with Central Circular Hole under Transverse Loading

Directory of Open Access Journals (Sweden)

Nitin Jain

2012-10-01

Full Text Available Normal 0 false false false EN-IN X-NONE X-NONE ABSTRACT: A number of analytical and numerical techniques are available for the two dimensional study of stress concentration around the hole(s in isotropic and composite plates subjected to in-plane or transverse loading conditions. The information on the techniques for three dimensional analyses of stress concentration factor (SCF around the hole in isotropic and composite plates subjected to transverse loading conditions is, however, limited. The present work emphasizes on the effect of fibre orientation (q on the stress concentration factor in fibrous composite plates with central circular hole under transverse static loading condition. The work is carried out for cantilever fibrous composite plates. The effects of thickness -to- width (T/A and diameter-to-width (D/A ratios upon SCF at different fibre orientation are studied. Plates of four different composite materials were considered for hole analysis in order to determine the sensitivity of SCF with elastic constants. Deflections in transverse direction were calculated and analysed. All results are presented in graphical form and discussed. The finite element formulation and its analysis were carried out using ANSYS package.ABSTRAK: Terdapat pelbagai teknik analitikal dan numerical untuk kajian tumpuan tegasan dua dimensi di sekeliling lubang-lubang dalam komposit isotropik dan plat pada satah atau keadaan bebanan melintang. Bagaimanapun, maklumat mengenai kaedah analisis tiga dimensi untuk faktor ketumpatan tegasan (SCF sekitar lubang dalam komposit isotropik dan plat pada keadaan bebanan melintang adalah terhad. Kertas ini menekankan kesan orientasi gentian (q pada faktor tumpuan tegasan dalam komposit plat bergentian dengan lubang berpusat di bawah keadaan bebanan melintang. Kajian ini dilkukan untuk cantilever plat komposit bergentian. Kesan ketebalan terhadap kelebaran plat (T/A dan diameter terhadap kelebaran komposit (D/A dengan SCF

The effects of supplementation with P-Synephrine alone and in combination with caffeine on resistance exercise performance.

Science.gov (United States)

Ratamess, Nicholas A; Bush, Jill A; Kang, Jie; Kraemer, William J; Stohs, Sidney J; Nocera, Vincenzo G; Leise, Megan D; Diamond, Keith B; Faigenbaum, Avery D

2015-01-01

Little is known concerning the potential ergogenic effects of p-synephrine supplementation. Therefore, the purpose of the present study was to examine the effects of supplementation with p-synephrine alone and in combination with caffeine on free-weight resistance exercise performance. Twelve healthy, college-aged men performed a control (CT) resistance exercise protocol consisting of 6 sets of squats for up to 10 repetitions per set using 80% of their one repetition-maximum (1RM) with 2 min of rest in between sets. Each subject was randomly assigned (in double-blind, balanced manner) to a treatment sequence consisting of use of 3 supplements: p-synephrine (S; 100 mg), p-synephrine + caffeine (SCF; 100 mg of p-synephrine plus 100 mg of caffeine), or a placebo (P). For each supplement treatment (separated by 1 week), subjects consumed the supplement for 3 days prior to each protocol and the morning of each protocol, and subsequently did not consume any supplements for 3 days following (i.e. wash-out period). On each protocol day, subjects reported to the lab at a standard time, consumed a supplement, sat quietly for 45 min, performed the resistance exercise protocol, and sat quietly for 30 min post exercise. Performance (repetition number, force, velocity and power), blood lactate, and ratings of perceived exertion (RPE) data were collected during each protocol. Supplements SCF and S produced a significantly (P performed than CT (by 11.0 ± 8.0%) and P (by 6.0 ± 7.0%) and a 10.6 ± 12.0% greater increase in volume load per protocol than CT and P. Most of the differences were seen during the last 3 sets. Mean power and velocity for all 6 sets were significantly higher in SCF compared to CT and P by ~6.2 ± 8.0%. No supplement effects were observed in RPE or blood lactate, and no adverse side effects were observed or reported. S and SCF augmented resistance exercise performance (total repetitions, volume load) without increasing blood lactate or RPE. The addition of

Role of the Neddylation Enzyme Uba3, A New Estrogen Receptor Corepressor, in Breast Cancer

Science.gov (United States)

2005-05-01

University School of Medicine, 302 Jordan Hall, 1001 East activates SCF( f3 (TrCP))-dependent ubiquitination of Third Street, Bloomington, Indiana...is essential for SCF( f3 -TrCP)-mediated ubiquitination ety Research Grant TBE-104125 (to K.P.N.), the Walther Can- and processing of the NF-K B...Nawaz Z, Lonard DM, Dennis AP, Smith CL, O’Malley BW position 3997, within the intron); reverse primer, 5’- ACCA - 1999 Proteasome-dependent degradation of

Public choice economics and space policy: realising space tourism

Science.gov (United States)

Collins, Patrick

2001-03-01

Government space agencies have the statutory responsibility to suport the commercialisation of space activities. NASA's 1998 report "General Public Space Travel and Tourism" concluded that passenger space travel can start using already existing technology, and is likely to grow into the largest commercial activity in space: it is therefore greatly in taxpayers' economic interest that passenger space travel and accommodation industries should be developed. However, space agencies are doing nothing to help realise this — indeed, they are actively delaying it. This behaviour is predicted by 'public choice' economics, pioneered by Professors George Stigler and James Buchanan who received the 1982 and 1986 Nobel prizes for Economics, which views government organisations as primarily self-interested. The paper uses this viewpoint to discuss public and private roles in the coming development of a space tourism industry.

On RC-spaces

OpenAIRE

Bielas, Wojciech; Plewik, Szymon

2018-01-01

Following Frink's characterization of completely regular spaces, we say that a regular T_1-space is an RC-space whenever the family of all regular open sets constitutes a regular normal base. Normal spaces are RC-spaces and there exist completely regular spaces which are not RC-spaces. So the question arises, which of the known examples of completely regular and not normal spaces are RC-spaces. We show that the Niemytzki plane and the Sorgenfrey plane are RC-spaces.

Espaçamentos entre plantas e cobertura do solo com cama-de-frango na produção da bardana (Arctium lappa L. Spacing among plants and soil covering with poultry litter in burdock (Arctium lappa L. production

Directory of Open Access Journals (Sweden)

E.E.O Munarin

2010-06-01

Full Text Available O objetivo do trabalho foi estudar o crescimento, o desenvolvimento e a produção da bardana em resposta a cinco espaçamentos entre plantas (40,0; 47,5; 55,0; 62,5 e 70,0 cm e ao uso (CCF ou não (SCF de cobertura de solo com cama-de-frango semidecomposta. Os dez tratamentos foram arranjados como fatorial 5x2, no delineamento experimental blocos casualizados, com quatro repetições. As plantas foram propagadas inicialmente em berços de isopor e, posteriormente, em canteiros, arranjadas em fileiras duplas, espaçadas de 0,50 m entre fileiras simples e 1,0 m entre fileiras duplas. As avaliações de altura foram feitas a partir de 30 dias até 180 dias quando foi feita a colheita. As médias de altura (172 cm e área foliar (20.704 cm-2 das plantas e as médias de comprimento (23,6 cm e diâmetro das raízes (16,2 mm não foram influenciadas significativamente pelos espaçamentos nem pela cobertura ou não do solo. Os maiores e menores valores para massas fresca (25.676 kg ha-1 e 15.217 kg ha-1 e seca (1.941,02 kg ha-1 e 1.104,61 kg ha-1 de folhas, para o número de raízes (490.750 ha-1 e 272.120 ha-1 e para as massas fresca (5.080,35 kg ha-1 e 3.546,25 kg ha-1 e seca (1.448,91 kg ha-1 e 1.051,31 kg ha-1 de raízes foram encontrados com os espaçamentos de 40,0 cm e de 70,0 cm entre plantas, respectivamente, mostrando decréscimo linear na medida em que aumentaram os espaçamentos. Os teores de nitrogênio (N e de fósforo (P, respectivamente, nas massas secas de folhas (12,84 g kg-1 e 0,33 g kg-1 e de raízes (4,11 g kg-1 e 0,13 g kg-1 de bardana não foram influenciados significativamente pelos espaçamentos, mas sim pela cobertura ou não do solo com cama-de-frango.The aim of this work was to study the growth, development and production of burdock in response to five spacing levels among plants (40.0; 47.5; 55.0; 62.5; and 70.0 cm and to the use (CCF or not (SCF of soil covering with semi-decomposed poultry litter. Experimental design was

Numerical Investigation on Stress Concentration of Tension Steel Bars with One or Two Corrosion Pits

Directory of Open Access Journals (Sweden)

Jian Hou

2015-01-01

Full Text Available Pitting corrosion has been observed in steel bars of existing reinforced concrete (RC structures in different erosion environments and has been identified as a potential origin for fatigue crack nucleation. In the present study, under uniaxial tension loading, stress distribution in the steel bars with one or two semiellipsoidal corrosion pits has systematically been investigated by conducting a series of three-dimensional semiellipsoidal pitted models. Based on the finite element analyses, it is shown that stress concentration factor (SCF increases linearly with increasing pit aspect ratio (a/b and increases nonlinearly with increasing pit relative depth (a/R for single corrosion pit problem. For double corrosion pits problem, the SCF decreases nonlinearly with increasing angle of two transverse pits (θ. The interaction of two longitudinal pits can be ignored in the calculation of SCF even if the distance of two pits (d is very small.

A Field-Shaking System to Reduce the Screening Current-Induced Field in the 800-MHz HTS Insert of the MIT 1.3-GHz LTS/HTS NMR Magnet: A Small-Model Study.

Science.gov (United States)

Lee, Jiho; Park, Dongkeun; Michael, Philip C; Noguchi, So; Bascuñán, Juan; Iwasa, Yukikazu

2018-04-01

In this paper, we present experimental results, of a small-model study, from which we plan to develop and apply a full-scale field-shaking system to reduce the screening current-induced field (SCF) in the 800-MHz HTS Insert (H800) of the MIT 1.3-GHz LTS/HTS NMR magnet (1.3G) currently under construction-the H800 is composed of 3 nested coils, each a stack of no-insulation (NI) REBCO double-pancakes. In 1.3G, H800 is the chief source of a large error field generated by its own SCF. To study the effectiveness of the field-shaking technique, we used two NI REBCO double-pancakes, one from Coil 2 (HCoil2) and one from Coil 3 (HCoil3) of the 3 H800 coils, and placed them in the bore of a 5-T/300-mm room-temperature bore low-temperature superconducting (LTS) background magnet. The background magnet is used not only to induce the SCF in the double-pancakes but also to reduce it by the field-shaking technique. For each run, we induced the SCF in the double-pancakes at an axial location where the external radial field Br > 0, then for the field-shaking, moved them to another location where the external axial field Bz ≫ B R . Due to the geometry of H800 and L500, top double-pancakes of 3 H800 coils will experience the considerable radial magnetic field perpendicular to the REBCO tape surface. To examine the effect of the field-shaking on the SCF, we tested each NI REBCO DP in the absence or presence of a radial field. In this paper, we report 77-K experimental results and analysis of the effect and a few significant remarks of the field-shaking.

Study of high-performance canonical molecular orbitals calculation for proteins

Science.gov (United States)

Hirano, Toshiyuki; Sato, Fumitoshi

2017-11-01

The canonical molecular orbital (CMO) calculation can help to understand chemical properties and reactions in proteins. However, it is difficult to perform the CMO calculation of proteins because of its self-consistent field (SCF) convergence problem and expensive computational cost. To certainly obtain the CMO of proteins, we work in research and development of high-performance CMO applications and perform experimental studies. We have proposed the third-generation density-functional calculation method of calculating the SCF, which is more advanced than the FILE and direct method. Our method is based on Cholesky decomposition for two-electron integrals calculation and the modified grid-free method for the pure-XC term evaluation. By using the third-generation density-functional calculation method, the Coulomb, the Fock-exchange, and the pure-XC terms can be given by simple linear algebraic procedure in the SCF loop. Therefore, we can expect to get a good parallel performance in solving the SCF problem by using a well-optimized linear algebra library such as BLAS on the distributed memory parallel computers. The third-generation density-functional calculation method is implemented to our program, ProteinDF. To achieve computing electronic structure of the large molecule, not only overcoming expensive computation cost and also good initial guess for safe SCF convergence are required. In order to prepare a precise initial guess for the macromolecular system, we have developed the quasi-canonical localized orbital (QCLO) method. The QCLO has the characteristics of both localized and canonical orbital in a certain region of the molecule. We have succeeded in the CMO calculations of proteins by using the QCLO method. For simplified and semi-automated calculation of the QCLO method, we have also developed a Python-based program, QCLObot.

Improving ethanol productivity through self-cycling fermentation of yeast: a proof of concept.

Science.gov (United States)

Wang, Jie; Chae, Michael; Sauvageau, Dominic; Bressler, David C

2017-01-01

The cellulosic ethanol industry has developed efficient strategies for converting sugars obtained from various cellulosic feedstocks to bioethanol. However, any further major improvements in ethanol productivity will require development of novel and innovative fermentation strategies that enhance incumbent technologies in a cost-effective manner. The present study investigates the feasibility of applying self-cycling fermentation (SCF) to cellulosic ethanol production to elevate productivity. SCF is a semi-continuous cycling process that employs the following strategy: once the onset of stationary phase is detected, half of the broth volume is automatically harvested and replaced with fresh medium to initiate the next cycle. SCF has been shown to increase product yield and/or productivity in many types of microbial cultivation. To test whether this cycling process could increase productivity during ethanol fermentations, we mimicked the process by manually cycling the fermentation for five cycles in shake flasks, and then compared the results to batch operation. Mimicking SCF for five cycles resulted in regular patterns with regards to glucose consumption, ethanol titer, pH, and biomass production. Compared to batch fermentation, our cycling strategy displayed improved ethanol volumetric productivity (the titer of ethanol produced in a given cycle per corresponding cycle time) and specific productivity (the amount of ethanol produced per cellular biomass) by 43.1 ± 11.6 and 42.7 ± 9.8%, respectively. Five successive cycles contributed to an improvement of overall productivity (the aggregate amount of ethanol produced at the end of a given cycle per total processing time) and the estimated annual ethanol productivity (the amount of ethanol produced per year) by 64.4 ± 3.3 and 33.1 ± 7.2%, respectively. This study provides proof of concept that applying SCF to ethanol production could significantly increase productivities, which will help strengthen the

Medium-chain triglycerides in infant formulas and their relation to plasma ketone body concentrations.

Science.gov (United States)

Wu, P Y; Edmond, J; Auestad, N; Rambathla, S; Benson, J; Picone, T

1986-04-01

A mild ketosis is known to prevail in the mother, fetus, and newborn infant during the 3rd trimester and in the early neonatal period. It has been shown that during an equivalent period in the rat ketone bodies are readily oxidized and serve as key substrates for lipogenesis in brain. Since medium-chain triglycerides are known to be ketogenic, preterm infants may benefit from dietary medium-chain triglycerides beyond the point of enhanced fat absorption. Our objective was to determine the ketogenic response in preterm infants (gestational age: 33 +/- 0.8 wk) fed three different isocaloric formulas by measuring the concentrations of 3-hydroxybutyrate and acetoacetate in the plasma of these infants. At the time of entrance to the study the infants were receiving 110 kcal/kg/24 h. Study I (11 infants): the infants were fed sequentially in the order; PM 60/40 (PM), Special Care Formula (SCF), and Similac 20 (SIM). In SCF greater than 50% of the fat consists of medium-chain length fatty acids while PM and SIM contain about 25%. The concentration of 3-hydroxybutyrate in plasma was significantly higher when infants were fed SCF than PM and SIM [0.14 +/- 0.03, 0.06 +/- 0.01, and 0.05 +/- 0.01 mM, respectively (p less than 0.01)]. Study II (12 infants); the infants were fed SCF, then SIM, or the reverse. The concentration of acetoacetate in plasma was 0.05 +/- 0.01 and 0.03 +/- 0.01 mM when infants were fed SCF and SIM, respectively (0.1 greater than p greater than 0.05). The concentrations of 3-hydroxybutyrate in plasma were similar to those measured in study I for the respective formulas.(ABSTRACT TRUNCATED AT 250 WORDS)

Tranilast prevents renal interstitial fibrosis by blocking mast cell infiltration in a rat model of diabetic kidney disease.

Science.gov (United States)

Yin, Dan-Dan; Luo, Jun-Hui; Zhao, Zhu-Ye; Liao, Ying-Jun; Li, Ying

2018-05-01

Renal interstitial fibrosis is a final pathway that is observed in various types of kidney diseases, including diabetic kidney disease (DKD). The present study investigated the effect of tranilast on renal interstitial fibrosis and the association between its role and mast cell infiltration in a rat model of DKD. A total of 30 healthy 6‑week‑old male Sprague‑Dawley rats were randomly divided into the following four groups: Normal control group; DKD model group; low‑dose tranilast group (200 mg/kg/day); and high‑dose tranilast group (400 mg/kg/day). The morphological alterations of tubulointerstitial fibrosis were evaluated by Masson's trichrome staining, while mast cell infiltration into the renal tubular interstitium was measured by toluidine blue staining and complement C3a receptor 1 (C3aR) immunohistochemical staining (IHC). The expression of fibronectin (FN), collagen I (Col‑I), stem cell factor (SCF) and proto‑oncogene c‑kit (c‑kit) was detected by IHC, western blotting and reverse transcription‑quantitative‑polymerase chain reaction. The results demonstrated that tubulointerstitial fibrosis and mast cell infiltration were observed in DKD model rats, and this was improved dose‑dependently in the tranilast treatment groups. The expression of FN, Col‑I, SCF and c‑kit mRNA and protein was upregulated in the tubulointerstitium of DKD model rats compared with the normal control rats, and tranilast inhibited the upregulated expression of these markers. Furthermore, the degree of SCF and c‑kit expression demonstrated a significant positive correlation with C3aR‑positive mast cells and the markers of renal interstitial fibrosis. The results of the present study indicate that mast cell infiltration may promote renal interstitial fibrosis via the SCF/c‑kit signaling pathway. Tranilast may prevent renal interstitial fibrosis through inhibition of mast cell infiltration mediated through the SCF/c-kit signaling pathway.

Neighborhood spaces

OpenAIRE

D. C. Kent; Won Keun Min

2002-01-01

Neighborhood spaces, pretopological spaces, and closure spaces are topological space generalizations which can be characterized by means of their associated interior (or closure) operators. The category NBD of neighborhood spaces and continuous maps contains PRTOP as a bicoreflective subcategory and CLS as a bireflective subcategory, whereas TOP is bireflectively embedded in PRTOP and bicoreflectively embedded in CLS. Initial and final structures are described in these categories, and it is s...

Sacred Space.

Science.gov (United States)

Adelstein, Pamela

2018-01-01

A space can be sacred, providing those who inhabit a particular space with sense of transcendence-being connected to something greater than oneself. The sacredness may be inherent in the space, as for a religious institution or a serene place outdoors. Alternatively, a space may be made sacred by the people within it and events that occur there. As medical providers, we have the opportunity to create sacred space in our examination rooms and with our patient interactions. This sacred space can be healing to our patients and can bring us providers opportunities for increased connection, joy, and gratitude in our daily work.

Metric space construction for the boundary of space-time

International Nuclear Information System (INIS)

Meyer, D.A.

1986-01-01

A distance function between points in space-time is defined and used to consider the manifold as a topological metric space. The properties of the distance function are investigated: conditions under which the metric and manifold topologies agree, the relationship with the causal structure of the space-time and with the maximum lifetime function of Wald and Yip, and in terms of the space of causal curves. The space-time is then completed as a topological metric space; the resultant boundary is compared with the causal boundary and is also calculated for some pertinent examples

Esrange Space Center, a Gate to Space

Science.gov (United States)

Widell, Ola

Swedish Space Corporation (SSC) is operating the Esrange Space Center in northern Sweden. Space operations have been performed for more than 40 years. We have a unique combination of maintaining balloon and rocket launch operations, and building payloads, providing space vehicles and service systems. Sub-orbital rocket flights with land recovery and short to long duration balloon flights up to weeks are offered. The geographical location, land recovery area and the long term experience makes Swedish Space Corporation and Esrange to an ideal gate for space activities. Stratospheric balloons are primarily used in supporting atmospheric research, validation of satellites and testing of space systems. Balloon operations have been carried out at Esrange since 1974. A large number of balloon flights are yearly launched in cooperation with CNES, France. Since 2005 NASA/CSBF and Esrange provide long duration balloon flights to North America. Flight durations up to 5 days with giant balloons (1.2 Million cubic metres) carrying heavy payload (up to 2500kg) with astronomical instruments has been performed. Balloons are also used as a crane for lifting space vehicles or parachute systems to be dropped and tested from high altitude. Many scientific groups both in US, Europe and Japan have indicated a great need of long duration balloon flights. Esrange will perform a technical polar circum balloon flight during the summer 2008 testing balloon systems and flight technique. We are also working on a permission giving us the opportunity on a circular stratospheric balloon flight around the North Pole.

Design spaces

DEFF Research Database (Denmark)

2005-01-01

Digital technologies and media are becoming increasingly embodied and entangled in the spaces and places at work and at home. However, our material environment is more than a geometric abstractions of space: it contains familiar places, social arenas for human action. For designers, the integration...... of digital technology with space poses new challenges that call for new approaches. Creative alternatives to traditional systems methodologies are called for when designers use digital media to create new possibilities for action in space. Design Spaces explores how design and media art can provide creative...... alternatives for integrating digital technology with space. Connecting practical design work with conceptual development and theorizing, art with technology, and usesr-centered methods with social sciences, Design Spaces provides a useful research paradigm for designing ubiquitous computing. This book...

National space legislation : future perspectives for Malaysian Space Law

NARCIS (Netherlands)

Saari, Che Zuhaida Binti

2014-01-01

This research studies the future perspectives for Malaysian space law. It aims at demonstrating the development of Malaysian outer space activities inclusive of her status with respect to United Nations space conventions and her membership of international and regional space-related organizations.

Influence of fibre treatments on mechanical properties of short Sansevieria cylindrica/polyester composites

International Nuclear Information System (INIS)

Sreenivasan, V.S.; Ravindran, D.; Manikandan, V.; Narayanasamy, R.

2012-01-01

Highlights: ► Fibre treatments were performed to improve interfacial bond between SCF and matrix. ► Mechanical properties of treated SCFP composites are greater than USCFP composites. ► PSCFP composites show maximum mechanical properties among treated SCFP composites. ► SEM analysis revealed that the wetting of PSCFs by the polyester resin was good. ► KMnO 4 treatment is ideal treatment for SCFs to get optimum mechanical properties. -- Abstract: In the present study, to improve the interfacial bond between Sansevieria cylindrica fibres (SCFs) and polyester matrix, chemical surface treatments have been performed on the fibres. Treatments including alkali, benzoyl peroxide, potassium permanganate and stearic acid were carried out to modify the fibre surface. Raw and each type of treated SCF samples were utilised separately for fabricating the composites. The mechanical properties of composites prepared from the chemically treated SCFs are found to be much better than those of the untreated ones. Potassium-permanganate-treated S. cylindrica fibre/polyester (PSCFP) composites showed optimum mechanical properties among the treated S. cylindrica fibre/polyester (SCFP) composites. The surface morphologies of fracture surfaces of composites were recorded using scanning electron microscopy (SEM). The SEM micrographs reveal that interfacial bonding between potassium-permanganate-treated SCF (PSCF) and polyester matrix has significantly improved, suggesting that better dispersion of PSCF into the matrix has occurred upon potassium permanganate treatment of SCF.

Beyond ubiquitination: the atypical functions of Fbxo7 and other F-box proteins.

Science.gov (United States)

Nelson, David E; Randle, Suzanne J; Laman, Heike

2013-10-09

F-box proteins (FBPs) are substrate-recruiting subunits of Skp1-cullin1-FBP (SCF)-type E3 ubiquitin ligases. To date, 69 FBPs have been identified in humans, but ubiquitinated substrates have only been identified for a few, with the majority of FBPs remaining 'orphans'. In recent years, a growing body of work has identified non-canonical, SCF-independent roles for about 12% of the human FBPs. These atypical FBPs affect processes as diverse as transcription, cell cycle regulation, mitochondrial dynamics and intracellular trafficking. Here, we provide a general review of FBPs, with a particular emphasis on these expanded functions. We review Fbxo7 as an exemplar of this special group as it has well-defined roles in both SCF and non-SCF complexes. We review its function as a cell cycle regulator, via its ability to stabilize p27 protein and Cdk6 complexes, and as a proteasome regulator, owing to its high affinity binding to PI31. We also highlight recent advances in our understanding of Fbxo7 function in Parkinson's disease, where it functions in the regulation of mitophagy with PINK1 and Parkin. We postulate that a few extraordinary FBPs act as platforms that seamlessly segue their canonical and non-canonical functions to integrate different cellular pathways and link their regulation.

A new entropy based method for computing software structural complexity

International Nuclear Information System (INIS)

Roca, Jose L.

2002-01-01

In this paper a new methodology for the evaluation of software structural complexity is described. It is based on the entropy evaluation of the random uniform response function associated with the so called software characteristic function SCF. The behavior of the SCF with the different software structures and their relationship with the number of inherent errors is investigated. It is also investigated how the entropy concept can be used to evaluate the complexity of a software structure considering the SCF as a canonical representation of the graph associated with the control flow diagram. The functions, parameters and algorithms that allow to carry out this evaluation are also introduced. After this analytic phase follows the experimental phase, verifying the consistency of the proposed metric and their boundary conditions. The conclusion is that the degree of software structural complexity can be measured as the entropy of the random uniform response function of the SCF. That entropy is in direct relationship with the number of inherent software errors and it implies a basic hazard failure rate for it, so that a minimum structure assures a certain stability and maturity of the program. This metric can be used, either to evaluate the product or the process of software development, as development tool or for monitoring the stability and the quality of the final product. (author)

Sobolev spaces

CERN Document Server

Adams, Robert A

2003-01-01

Sobolev Spaces presents an introduction to the theory of Sobolev Spaces and other related spaces of function, also to the imbedding characteristics of these spaces. This theory is widely used in pure and Applied Mathematics and in the Physical Sciences.This second edition of Adam''s ''classic'' reference text contains many additions and much modernizing and refining of material. The basic premise of the book remains unchanged: Sobolev Spaces is intended to provide a solid foundation in these spaces for graduate students and researchers alike.* Self-contained and accessible for readers in other disciplines.* Written at elementary level making it accessible to graduate students.

The Space House TM : Space Technologies in Architectural Design

Science.gov (United States)

Gampe, F.; Raitt, D.

2002-01-01

The word "space" has always been associated with and had a profound impact upon architectural design. Until relatively recently, however, the term has been used in a different sense to that understood by the aerospace community - for them, space was less abstract, more concrete and used in the context of space flight and space exploration, rather than, say, an empty area or space requiring to be filled by furniture. However, the two senses of the word space have now converged to some extent. Interior designers and architects have been involved in designing the interior of Skylab, the structure of the International Space Station, and futuristic space hotels. Today, architects are designing, and builders are building, houses, offices and other structures which incorporate a plethora of new technologies, materials and production processes in an effort not only to introduce innovative and adventurous ideas but also in an attempt to address environmental and social issues. Foremost among these new technologies and materials being considered today are those that have been developed for and by the space industry. This paper examines some of these space technologies, such as energy efficient solar cells, durable plastics, air and water filtration techniques, which have been adapted to both provide power while reducing energy consumption, conserve resources and so on. Several of these technologies have now been employed by the European Space Agency to develop a Space House TM - the first of its kind, which will be deployed not so much on planets like Mars, but rather here on Earth. The Space House TM, which exhibits many innovative features such as high strength light-weight carbon composites, active noise-damped, (glass and plastic) windows, low-cost solar arrays and latent heat storage, air and water purification systems will be described.

Another extension of Orlicz-Sobolev spaces to metric spaces

Directory of Open Access Journals (Sweden)

Noureddine Aïssaoui

2004-01-01

Full Text Available We propose another extension of Orlicz-Sobolev spaces to metric spaces based on the concepts of the Φ-modulus and Φ-capacity. The resulting space NΦ1 is a Banach space. The relationship between NΦ1 and MΦ1 (the first extension defined in Aïssaoui (2002 is studied. We also explore and compare different definitions of capacities and give a criterion under which NΦ1 is strictly smaller than the Orlicz space LΦ.

Ab initio investigation of inversion in tetrahedral molecules of transition metals

International Nuclear Information System (INIS)

Musaev, D.G.; Boldyrev, A.I.

1984-01-01

Tetrahedral and plane square configurations of TiH 4 , TiF 4 , molecules and ScH 4 - , ScF 4 - anions are optimized in the frames of Hartree-Fock-Roothaan method with the bases of DZHD and DZRS type. Inversion barriers of tetrahedral molecules through plane sqUare configuration which make up 46; 70; 27 and 39 kcal/mol in TiH 4 , TiF 4 , SoH 4 - and ScF 4 - respectively are estimated. Correlation diagrams under inversion are analyzed

Peierls' instability in a one-dimensional potentially metallic solid

International Nuclear Information System (INIS)

Valladares, A.A.; Cetina, E.A.; Sansores, L.E.

1980-01-01

The Peierls instability of one-dimensional potentially metallic lithium solid is investigated in the Hueckel and SCF approximations. In the Hueckel approximation Esub(F) is a monotonic increasing function of the displacement of every other atom of the lattice, whereas in the SCF approximation, where the filling of the bands is considered, Esub(F) shows the minimum predicted by Peierls. The energy gap (for the arrangement that minimizes Esub(F)) is 4.5 eV, indicating that this solid is an insulator. (author)

Waste-to-Energy and Fuel Cell Technologies Overview

Science.gov (United States)

2011-01-13

Type (based on 40-million SCF* of biogas per year**) Generator Type Megawatt‐hours/year PAFC 2,900 MCFC 3,300 Mi t bi 1 800cro‐ ur ne , Reciprocating...anaerobic digestion of organic matter, are most easily mated to these fuel cell systems . Innovation for Our Energy Future Comparison by Generator ...Engine 1,500 * ~830 Btu/SCF (HHV) ** WWTP serving a community of about 110,000 people This comparison ignores the fact that generators do not come in

Metric modular spaces

CERN Document Server

Chistyakov, Vyacheslav

2015-01-01

Aimed toward researchers and graduate students familiar with elements of functional analysis, linear algebra, and general topology; this book contains a general study of modulars, modular spaces, and metric modular spaces. Modulars may be thought of as generalized velocity fields and serve two important purposes: generate metric spaces in a unified manner and provide a weaker convergence, the modular convergence, whose topology is non-metrizable in general. Metric modular spaces are extensions of metric spaces, metric linear spaces, and classical modular linear spaces. The topics covered include the classification of modulars, metrizability of modular spaces, modular transforms and duality between modular spaces, metric  and modular topologies. Applications illustrated in this book include: the description of superposition operators acting in modular spaces, the existence of regular selections of set-valued mappings, new interpretations of spaces of Lipschitzian and absolutely continuous mappings, the existe...

Compliance evaluation of removable space maintainer or space regainer usage

Directory of Open Access Journals (Sweden)

Revanti Ramadhani

2018-01-01

Full Text Available Premature loss could cause a problem with the tooth arrangement or the dental arch size. A space left by the primary tooth loss could cause migration of the adjacent teeth. As a result, space will be narrowed and undermined the eruption of the permanent teeth. The success of the space maintainer or space regainer usage due to the premature loss marked by space for the replacement of the permanent teeth. The purpose of this research was to evaluate the compliance of children in wearing a space maintainer or space regainer after insertion at Pedodontics Installation of Faculty of Dentistry Universitas Padjadjaran Dental Hospital, Bandung, Indonesia. The research method was descriptive survey technique. The sample consisted of 30 patients selected using the total sampling technique. Data were obtained with a questionnaire and statistically analyzed. The results showed that majority of the children uses the removable space maintainer or the space regainer daily was only about 23,3% overall. Most of the children only use the removable space maintainer or the space regainer for sometimes. The research concluded that the low rate of pedodontic patients compliance at Pedodontics Installation of Faculty of Dentistry Universitas Padjadjaran Dental Hospital in the usage of the removable space maintainer or the space regainer was usually caused by pain or discomfort. This fact was evidence of a low awareness of parents in preventing malocclusion to their children.

Scaling behavior of ground-state energy cluster expansion for linear polyenes

Science.gov (United States)

Griffin, L. L.; Wu, Jian; Klein, D. J.; Schmalz, T. G.; Bytautas, L.

Ground-state energies for linear-chain polyenes are additively expanded in a sequence of terms for chemically relevant conjugated substructures of increasing size. The asymptotic behavior of the large-substructure limit (i.e., high-polymer limit) is investigated as a means of characterizing the rapidity of convergence and consequent utility of this energy cluster expansion. Consideration is directed to computations via: simple Hückel theory, a refined Hückel scheme with geometry optimization, restricted Hartree-Fock self-consistent field (RHF-SCF) solutions of fixed bond-length Parisier-Parr-Pople (PPP)/Hubbard models, and ab initio SCF approaches with and without geometry optimization. The cluster expansion in what might be described as the more "refined" approaches appears to lead to qualitatively more rapid convergence: exponentially fast as opposed to an inverse power at the simple Hückel or SCF-Hubbard levels. The substructural energy cluster expansion then seems to merit special attention. Its possible utility in making accurate extrapolations from finite systems to extended polymers is noted.

Resveratrol improves prostate fibrosis during progression of urinary dysfunction in chronic prostatitis.

Science.gov (United States)

He, Yi; Zeng, Hui-Zhi; Yu, Yang; Zhang, Jia-Shu; Duan, Xingping; Zeng, Xiao-Na; Gong, Feng-Tao; Liu, Qi; Yang, Bo

2017-09-01

We investigated whether prostate fibrosis was associated with urinary dysfunction in chronic prostatitis (CP) and whether resveratrol improved urinary dysfunction and the underlying molecular mechanism. Rat model of CP was established via subcutaneous injections of DPT vaccine and subsequently treated with resveratrol. Bladder pressure and volume tests investigated the effect of resveratrol on urinary dysfunction in CP rats. Western blotting and immunohistochemical staining examined the expression level of C-kit/SCF and TGF-β/Wnt/β-catenin. Compared to the control group, the maximum capacity of the bladder, residual urine volume and maximum voiding pressure, the activity of C-kit/SCF and TGF-β/Wnt/β-catenin pathways were increased significantly in the CP group. Resveratrol treatment significantly improved these factors. CP induced significantly prostate fibrosis, which exhibits a close relationship with urinary dysfunction. Resveratrol improved fibrosis, which may be associated with the suppression of C-kit/SCF and TGF-β/Wnt/β-catenin pathway. Copyright © 2017 Elsevier B.V. All rights reserved.

Association of stem cell factor and high-sensitivity C reactive protein concentrations in crevicular fluid and serum in patients with chronic periodontitis with and without type 2 diabetes.

Science.gov (United States)

Kalra, Nitish; Pradeep, Avani R; Priyanka, Ningappa; Kumari, Minal

2013-03-01

The aim of the present study was to clarify whether there is any correlation between the levels of high-sensitivity C reactive protein (hs-CRP) and stem cell factor (SCF) in serum and gingival crevicular fluid (GCF) of patients with chronic periodontitis (CP) with and without type 2 diabetes mellitus (DM). A total of 40 subjects were divided into 3 groups: 10 periodontally healthy subjects (Group 1), 15 CP patients (Group 2), and 15 type 2 DM patients with CP (Group 3). Levels of hs-CRP and SCF in GCF and serum were quantified using different techniques. The clinical outcomes evaluated were gingival index (GI), probing depth (PD) and clinical attachment level (CAL), and the correlations of the two inflammatory mediators with clinical parameters were evaluated. The levels of these inflammatory mediators increased continuously from group 1 to group 2, and to group 3. The serum levels of both hs-CRP and SCF were correlated with PD in patients with CP (P periodontal disease, and elsewhere.

Preparation of carbon fiber unsaturated sizing agent for enhancing interfacial strength of carbon fiber/vinyl ester resin composite

Science.gov (United States)

Jiao, Weiwei; Cai, Yemeng; Liu, Wenbo; Yang, Fan; Jiang, Long; Jiao, Weicheng; Wang, Rongguo

2018-05-01

The practical application of carbon fiber (CF) reinforced vinyl ester resin (VE) composite was hampered seriously by the poor interfacial adhesion property. In this work, a novel unsaturated sizing agent was designed and prepared to improve the interfacial strength by covalently bonding CF with VE matrix. The main component of the sizing agent, N-(4‧4-diaminodiphenyl methane)-2-hydroxypropyl methacrylate (DMHM), was synthesized and confirmed by FTIR and NMR. XPS results of sized carbon fiber (SCF) showed that DMHM has adhered to desized fiber surface and reacted with some active functional groups on the surface. The SCF was characterized by high surface roughness and surface energy (especially the polar component), which means better wettability by VE. As a result, the interface shear strength and interlaminar shear strength of SCF/VE composite were enhanced by 96.56% and 66.07% respectively compared with CF/VE composite, benefited mainly from the strong and tough interphase.

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

Science.gov (United States)

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S; Shirley, Eric L; Prendergast, David

2017-03-03

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.

Space Power Theory: Controlling the Medium Without Weapons in Space

National Research Council Canada - National Science Library

Wilkerson, Don L

2008-01-01

.... strategic space assets and the ability to negate enemy space systems is essential to U.S. space strategy in controlling the geographical environment of space, predominately in the Lower Earth Orbit (LEO...

Space weather in the EU’s FP7 Space Theme

Directory of Open Access Journals (Sweden)

Chiarini Paola

2013-11-01

Full Text Available Technological infrastructures in space and on ground provide services on which modern society and economies rely. Space weather related research is funded under the 7th Framework Programme for Research and Innovation (FP7 of the European Union in response to the need of protecting such critical infrastructures from the damage which could be caused by extreme space weather events. The calls for proposals published under the topic “Security of space assets from space weather events” of the FP7 Space Theme aimed to improve forecasts and predictions of disruptive space weather events as well as identify best practices to limit the impacts on space- and ground-based infrastructures and their data provision. Space weather related work was also funded under the topic “Exploitation of space science and exploration data”, which aims to add value to space missions and Earth-based observations by contributing to the effective scientific exploitation of collected data. Since 2007 a total of 20 collaborative projects have been funded, covering a variety of physical phenomena associated with space weather, from ionospheric disturbances and scintillation, to geomagnetically induced currents at Earth’s surface, to coronal mass ejections and solar energetic particles. This article provides an overview of the funded projects, touching upon some results and referring to specific websites for a more exhaustive description of the projects’ outcomes.

Twistor space, Minkowski space and the conformal group

NARCIS (Netherlands)

van den Broek, P.M.

1983-01-01

It is shown that the conformal group of compactified Minkowski space is isomorphic to a group of rays of semilinear transformations of twistor space. The action of the conformal group on twistor space is given by an explicit realisation of this isomorphism. In this way we determine the

Kent in space: Cosmic dust to space debris

Science.gov (United States)

McDonnell, J. A. M.

1994-10-01

The dusty heritage of the University of Kent's Space Group commenced at Jodrell Bank, Cheshire, U.K., the home of the largest steerable radio telescope. While Professor Bernard Lovell's 250 ft. diameter telescope was used to command the U.S. deep space Pioneer spacecraft, Professor Tony McDonnell, as a research student in 1960, was developing a space dust detector for the US-UK Ariel program. It was successful. With a Ph.D. safely under the belt, it seemed an inevitable step to go for the next higher degree, a B.T.A.] Two years with NASA at Goddard Space Flight Center, Greenbelt, provided excellent qualifications for such a graduation ('Been to America'). A spirited return to the University of Kent at Canterbury followed, to one of the green field UK University sites springing from the Robbins Report on Higher Education. Swimming against the current of the brain drain, and taking a very considerable reduction in salary, it was with some disappointment that he found that the UK Premier Harold Wilson's 'white-hot technological revolution' never quite seemed to materialize in terms of research funding] Research expertise, centered initially on cosmic dust, enlarged to encompass planetology during the Apollo program, and rightly acquired international acclaim, notching up a history of space missions over 25 years. The group now comprises 38 people supported by four sources: the government's Research Councils, the University, the Space Agencies and Industry. This paper describes the thrust of the group's Research Plan in Space Science and Planetology; not so much based on existing international space missions, but more helping to shape the direction and selection of space missions ahead.

Evaluation of sucralfate enema in experimental diversion colitis

Directory of Open Access Journals (Sweden)

José Aires Pereira

2013-10-01

Full Text Available Diversion colitis (DC is an inflammatory disease that develops in segments with fecal di- version. Sucralfate (SCF complex, which consists of sucrose octasulfate and polyaluminum hydroxide, has been demonstrated to be effective in the treatment of different forms of colitis. However, until now, the effects of SCF have not been evaluated in DC. Objective: to evaluate whether the use of enemas containing SFC improves histological find- ings in experimental DC. Methods: Thirty-six rats underwent right colon bypass procedure through the creation of a proximal colostomy and a distal mucous fistula. The animals were divided into two groups according to the euthanization procedure to be performed two to four weeks after sur- gery. Each experimental group was divided into three subgroups of six animals, which were submitted to daily application of enemas containing saline solution 0.9% or SCF at con- centrations of 1.0 g/kg/day or 2.0 g/kg/day, respectively. The diagnosis of DC in segments with fecal diversion was established by histopathological study considering the following variables: epithelial loss, formation of crypt abscesses, the population of goblet cells, in- flammatory infiltrate and presence of fibrosis. For statistical analysis, the nonparametric Mann-Whitney and Kruskal-Wallis tests were used, with a significance level of 5% (p <0.05. Results: It was observed that the daily application of SCF enemas decreased epithelial loss, formation of colon crypt abscesses, inflammatory infiltrate and tissue fibrosis (p <0.05, un- related to time of intervention. The intervention with SCF preserves the goblet cell popula- tion. The effects of the substance on the preservation of colonic epithelium; the decrease in the inflammatory process and subsequent abscess formation in the colon crypts are associated with the concentration used, whereas tissue fibrosis decrease is associated with the concentration and time of intervention. Conclusion

The politics of space - Who owns what? Earth law for space

Science.gov (United States)

Hosenball, S. N.

1983-01-01

Topics of concern in developing space law, i.e., international disagreements, the present status of space law, and requirements for future space activities, are discussed. Factors inhibiting agreements include governments that wish to control specific regions of GEO, the refusal of several countries to permit international DBS television broadcasts over their boundaries, the possibility that weapons may be placed in space, and the lack of international laws governing humans and industries in space. It is noted that any state entering an international agreement has relinquished some of its sovereignty. The Outer Space Treaty has removed celestial bodies from claims of national appropriation. States retain sovereignty over their citizens who travel in space, a problematical concept once internationally-manned settlements in space or on the moon are established. It is recommended that space law develop mainly in reaction to the implementation of new space capabilities in order to avoid hindering space activities.

Blended polymer materials extractable with supercritical carbon dioxide

Science.gov (United States)

Cai, Mei

Supercritical carbon dioxide is drawing more and more attention because of its unique solvent properties along with being environmentally friendly. Historically most of the commercial interests of supercritical carbon dioxide extraction are in the food industry, pharmaceutical industry, environmental preservation and polymer processing. Recently attention has shifted from the extraction of relatively simple molecules to more complex systems with a much broader range of physical and chemical transformations. However the available data show that a lot of commercially valuable substances are not soluble in supercritical carbon dioxide due to their polar structures. This fact really limits the application of SCF extraction technology to much broader industrial applications. Therefore, the study of a polymer's solubility in a given supercritical fluid and its thermodynamic behavior becomes one of the most important research topics. The major objective of this dissertation is to develop a convenient and economic way to enhance the polymer's solubility in supercritical carbon dioxide. Further objective is to innovate a new process of making metal casting parts with blended polymer materials developed in this study. The key technique developed in this study to change a polymer's solubility in SCF CO2 is to thermally blend a commercially available and CO2 non-soluble polymer material with a low molecular weight CO2 soluble organic chemical that acts as a co-solute. The mixture yields a plastic material that can be completely solubilized in SCF CO2 over a range of temperatures and pressures. It also exhibits a variety of physical properties (strength, hardness, viscosity, etc.) depending on variations in the mixture ratio. The three organic chemicals investigated as CO2 soluble materials are diphenyl carbonate, naphthalene, and benzophenone. Two commercial polymers, polyethylene glycol and polystyrene, have been investigated as CO2 non-soluble materials. The chemical

Detection of Multiconfigurational States of Hydrogen-Passivated Silicene Nanoclusters.

Science.gov (United States)

Pablo-Pedro, Ricardo; Lopez-Rios, Hector; Fomine, Serguei; Dresselhaus, Mildred S

2017-02-02

Utilizing density functional theory (DFT) and a complete active space self-consistent field (CASSCF) approach,we study the electronic properties of rectangular silicene nano clusters with hydrogen passivated edges denoted by H-SiNCs (n z ,n a ), with n z and n a representing the zigzag and armchair directions, respectively. The results show that in the n z direction, the H-SiNCs prefer to be in a singlet (S = 0) ground state for n z > n a . However, a transition from a singlet (S = 0) to a triplet (S = 1) ground state is revealed for n a > n z . Through the calculated Raman spectrum, the S = 0 and S = 1 ground states can be observed by the E 2g (G) and A (D) Raman modes. Furthermore, H-SiNC clusters are shown to have HOMO-LUMO (HL) energy gaps, which decrease as a function of n a and n z for S = 0 and S = 1 states. The H-SiNC with a S = 1 ground state can be potentially used for silicene-based spintronic devices.

Detection of Multiconfigurational States of Hydrogen-Passivated Silicene Nanoclusters

KAUST Repository

Pablo-Pedro, Ricardo; Lopez-Rios, Hector; Fomine, Serguei; Dresselhaus, Mildred S.

2017-01-01

Utilizing density functional theory (DFT) and a complete active space self-consistent field (CASSCF) approach,we study the electronic properties of rectangular silicene nano clusters with hydrogen passivated edges denoted by H-SiNCs (nz,na), with nz and na representing the zigzag and armchair directions, respectively. The results show that in the nz direction, the H-SiNCs prefer to be in a singlet (S = 0) ground state for nz > na. However, a transition from a singlet (S = 0) to a triplet (S = 1) ground state is revealed for na > nz. Through the calculated Raman spectrum, the S = 0 and S = 1 ground states can be observed by the E2g (G) and A (D) Raman modes. Furthermore, H-SiNC clusters are shown to have HOMO–LUMO (HL) energy gaps, which decrease as a function of na and nz for S = 0 and S = 1 states. The H-SiNC with a S = 1 ground state can be potentially used for silicene-based spintronic devices.

Detection of Multiconfigurational States of Hydrogen-Passivated Silicene Nanoclusters

KAUST Repository

Pablo-Pedro, Ricardo

2017-01-16

Utilizing density functional theory (DFT) and a complete active space self-consistent field (CASSCF) approach,we study the electronic properties of rectangular silicene nano clusters with hydrogen passivated edges denoted by H-SiNCs (nz,na), with nz and na representing the zigzag and armchair directions, respectively. The results show that in the nz direction, the H-SiNCs prefer to be in a singlet (S = 0) ground state for nz > na. However, a transition from a singlet (S = 0) to a triplet (S = 1) ground state is revealed for na > nz. Through the calculated Raman spectrum, the S = 0 and S = 1 ground states can be observed by the E2g (G) and A (D) Raman modes. Furthermore, H-SiNC clusters are shown to have HOMO–LUMO (HL) energy gaps, which decrease as a function of na and nz for S = 0 and S = 1 states. The H-SiNC with a S = 1 ground state can be potentially used for silicene-based spintronic devices.

Theoretical study of singlet oxygen molecule generation via an exciplex with valence-excited thiophene.

Science.gov (United States)

Sumita, Masato; Morihashi, Kenji

2015-02-05

Singlet-oxygen [O2((1)Δg)] generation by valence-excited thiophene (TPH) has been investigated using multireference Møller-Plesset second-order perturbation (MRMP2) theory of geometries optimized at the complete active space self-consistent field (CASSCF) theory level. Our results indicate that triplet TPH(1(3)B2) is produced via photoinduced singlet TPH(2(1)A1) because 2(1)A1 TPH shows a large spin-orbit coupling constant with the first triplet excited state (1(3)B2). The relaxed TPH in the 1(3)B2 state can form an exciplex with O2((3)Σg(-)) because this exciplex is energetically more stable than the relaxed TPH. The formation of the TPH(1(3)B2) exciplex with O2((3)Σg(-)) whose total spin multiplicity is triplet (T1 state) increases the likelihood of transition from the T1 state to the singlet ground or first excited singlet state. After the transition, O2((1)Δg) is emitted easily although the favorable product is that from a 2 + 4 cycloaddition reaction.

Conformal Einstein spaces

International Nuclear Information System (INIS)

Kozameh, C.N.; Newman, E.T.; Tod, K.P.

1985-01-01

Conformal transformations in four-dimensional. In particular, a new set of two necessary and sufficient conditions for a space to be conformal to an Einstein space is presented. The first condition defines the class of spaces conformal to C spaces, whereas the last one (the vanishing of the Bach tensor) gives the particular subclass of C spaces which are conformally related to Einstein spaces. (author)

Spaces on sets

International Nuclear Information System (INIS)

Triebel, Hans

2005-01-01

This paper deals with spaces B s pq and F s pq of positive smoothness s>0, based on L p -spaces with 0< p≤∞ and reproducing formulae for smooth functions. These spaces are compared with other B-spaces and F-spaces obtained by different means

33-Foot-Diameter Space Station Leading to Space Base

Science.gov (United States)

1969-01-01

This picture illustrates a concept of a 33-Foot-Diameter Space Station Leading to a Space Base. In-house work of the Marshall Space Flight Center, as well as a Phase B contract with the McDornel Douglas Astronautics Company, resulted in a preliminary design for a space station in 1969 and l970. The Marshall-McDonnel Douglas approach envisioned the use of two common modules as the core configuration of a 12-man space station. Each common module was 33 feet in diameter and 40 feet in length and provided the building blocks, not only for the space station, but also for a 50-man space base. Coupled together, the two modules would form a four-deck facility: two decks for laboratories and two decks for operations and living quarters. Zero-gravity would be the normal mode of operation, although the station would have an artificial gravity capability. This general-purpose orbital facility was to provide wide-ranging research capabilities. The design of the facility was driven by the need to accommodate a broad spectrum of activities in support of astronomy, astrophysics, aerospace medicine, biology, materials processing, space physics, and space manufacturing. To serve the needs of Earth observations, the station was to be placed in a 242-nautical-mile orbit at a 55-degree inclination. An Intermediate-21 vehicle (comprised of Saturn S-IC and S-II stages) would have launched the station in 1977.

The Space Station as a Construction Base for Large Space Structures

Science.gov (United States)

Gates, R. M.

1985-01-01

The feasibility of using the Space Station as a construction site for large space structures is examined. An overview is presented of the results of a program entitled Definition of Technology Development Missions (TDM's) for Early Space Stations - Large Space Structures. The definition of LSS technology development missions must be responsive to the needs of future space missions which require large space structures. Long range plans for space were assembled by reviewing Space System Technology Models (SSTM) and other published sources. Those missions which will use large space structures were reviewed to determine the objectives which must be demonstrated by technology development missions. The three TDM's defined during this study are: (1) a construction storage/hangar facility; (2) a passive microwave radiometer; and (3) a precision optical system.

Space tourism risks: A space insurance perspective

Science.gov (United States)

Bensoussan, Denis

2010-06-01

Space transportation is inherently risky to humans, whether they are trained astronauts or paying tourists, given that spaceflight is still in its relative infancy. However, this is easy to forget when subjected to the hype often associated with space tourism and the ventures seeking to enter that market. The development of commercial spaceflight constitutes a challenge as much as a great opportunity to the insurance industry as new risks emerge and standards, policies and procedures to minimise/mitigate and cover them still to be engineered. Therefore the creation of a viable and affordable insurance regime for future space tourists is a critical step in the development of a real space tourism market to address burning risk management issues that may otherwise ultimately hamper this nascent industry before it has a chance to prove itself.

Evaluating the coalbed methane potential of the Gething coals in NE British Columbia, Canada: An example from the Highhat area, Peace River coalfield

International Nuclear Information System (INIS)

Gentzis, Thomas; Schoderbek, David; Pollock, Sharlene

2006-01-01

Lower Cretaceous coals from the Gething Formation in the Highhat area of NE British Columbia were analyzed for gas content as part of an exploration program. Samples of continuous wireline core and cuttings were processed. Vitrinite reflectance and dry ash-free volatile matter both indicate that the rank of the coal is low volatile bituminous. The coals are well cleated and contain shear fractures, as seen in the core description and in the FMI logs. Coal cuttings were screened to remove a very fine fraction (-200 mesh) and then treated in heavy liquid (SG 1.75 g/cm 3 ) to remove inorganic lithologies. For the cores, total gas content ranges from 516.9 to 876.8 scf/t (16.1-27.4 cm 3 /g; adb) with a mean value of 671.1 scf/t (20.9 cm 3 /g) at 20.5% ash (adb). For the cuttings, all desorbed gas was assigned to the +200 mesh/float 1.75 SG weight fraction. On this recalculated basis, total gas content for the processed cuttings ranges from 651.8 scf/t (20.4 cm 3 /g) to a high value of 2083.6 scf/t (65.1 cm 3 /g; adb). Weight yields after screening/floating are generally low. For samples yielding very low values ( 3 /g; adb) with a mean value of 760.4 scf/t (23.8 cm 3 /g) at 15.5% ash (adb). The desorbed gas is predominantly methane (98-99%; air-free and acid-free basis) and average carbon dioxide is about 6%. Methane is thermogenic based on isotopic analysis. Methane adsorption isotherm analysis at reservoir conditions shows that the Gething coals are at least 95% gas saturated. Using 1300 m as a depth cut-off and an average gas content of 672 scf/t (21 cm 3 /g), GIP (gas-in-place) in the Highhat prospect area is estimated to be 270 bcf (billion cubic feet). This translates to 24.5 bcf/section (a section is equal to a square mile or 640 acres) for the 11 sections of land in the vicinity of the corehole or to 3 bcf/m/mile 2 . The low absolute permeability of the coals (0.5 md) is the main limiting factor for producibility and commercial development of the resource. Even

Studying Space: Improving Space Planning with User Studies

Science.gov (United States)

Pierard, Cindy; Lee, Norice

2011-01-01

How can libraries best assess and improve user space, even if they are not in a position to undertake new construction or a major renovation? Staff at New Mexico State University used a variety of ethnographic methods to learn how our spaces were being used as well as what our users considered to be ideal library space. Our findings helped us make…

Transcriptomics and metabolite analysis reveals the molecular mechanism of anthocyanin biosynthesis branch pathway in different Senecio cruentus cultivars

Directory of Open Access Journals (Sweden)

Xuehua Jin

2016-09-01

Full Text Available The cyanidin (Cy, pelargonidin (Pg and delphinidin (Dp pathways are the three major branching anthocyanin biosynthesis pathways that regulate flavonoid metabolic flux and are responsible for red, orange and blue flower colors, respectively. Different species have evolved to develop multiple regulation mechanisms that form the branched pathways. In the current study, five Senecio cruentus cultivars with different colors were investigated. We found that the white and yellow cultivars do not accumulate anthocyanin and that the blue, pink and carmine cultivars mainly accumulate Dp, Pg and Cy in differing densities. Subsequent transcriptome analysis determined that there were 43 unigenes encoding anthocyanin biosynthesis genes in the blue cultivar. We also combined chemical and transcriptomic analyses to investigate the major metabolic pathways that are related to the observed differences in flower pigmentation in the series of S. cruentus. The results showed that mutations of the ScbHLH17 and ScCHI1/2 coding regions abolish anthocyanin formation in the white and the yellow cultivars; the competition of the ScF3’H1, ScF3’5’H and ScDFR1/2 genes for naringenin determines the differences in branching metabolic flux of the Cy, Dp and Pg pathways. Our findings provide new insights into the regulation of anthocyanin branching and also supplement gene resources (including ScF3’5’H, ScF3’H and ScDFRs for flower color modification of ornamentals.

Szeged Matrix Property Indices as Descriptors to Characterize Fullerenes

Directory of Open Access Journals (Sweden)

Jäntschi Lorentz

2016-12-01

Full Text Available Fullerenes are class of allotropes of carbon organized as closed cages or tubes of carbon atoms. The fullerenes with small number of atoms were not frequently investigated. This paper presents a detailed treatment of total strain energy as function of structural feature extracted from isomers of C40 fullerene using Szeged Matrix Property Indices (SMPI. The paper has a two-fold structure. First, the total strain energy of C40 fullerene isomers (40 structures was linked with SMPI descriptors under two scenarios, one which incorporate just the SMPI descriptors and the other one which contains also five calculated properties (dipole moment, scf-binding-energy, scf-core-energy, scf-electronic-energy, and heat of formation. Second, the performing models identified on C40 fullerene family or the descriptors of these models were used to predict the total strain energy on C42 fullerene isomers. The obtained results show that the inclusion of properties in the pool of descriptors led to the reduction of accurate linear models. One property, namely scf-binding-energy proved a significant contribution to total strain energy of C40 fullerene isomers. However, the top-three most performing models contain just SMPI descriptors. A model with four descriptors proved most accurate model and show fair abilities in prediction of the same property on C42 fullerene isomers when the approach considered the descriptors identified on C40 as the predicting descriptors for C42 fullerene isomers.

The F-box protein FBXO44 mediates BRCA1 ubiquitination and degradation.

Science.gov (United States)

Lu, Yunzhe; Li, Jiezhi; Cheng, Dongmei; Parameswaran, Balaji; Zhang, Shaohua; Jiang, Zefei; Yew, P Renee; Peng, Junmin; Ye, Qinong; Hu, Yanfen

2012-11-30

BRCA1 mutations account for a significant proportion of familial breast and ovarian cancers. In addition, reduced BRCA1 protein is associated with sporadic cancer cases in these tissues. At the cellular level, BRCA1 plays a critical role in multiple cellular functions such as DNA repair and cell cycle checkpoint control. Its protein level is regulated in a cell cycle-dependent manner. However, regulation of BRCA1 protein stability is not fully understood. Our earlier study showed that the amino terminus of BRCA1 harbors a degron sequence that is sufficient and necessary for conferring BRCA1 degradation. In the current study, we used mass spectrometry to identify Skp1 that regulates BRCA1 protein stability. Small interfering RNA screening that targets all human F-box proteins uncovered FBXO44 as an important protein that influences BRCA1 protein level. The Skp1-Cul1-F-box-protein44 (SCF(FBXO44)) complex ubiquitinates full-length BRCA1 in vitro. Furthermore, the N terminus of BRCA1 mediates the interaction between BRCA1 and FBXO44. Overexpression of SCF(FBXO44) reduces BRCA1 protein level. Taken together, our work strongly suggests that SCF(FBXO44) is an E3 ubiquitin ligase responsible for BRCA1 degradation. In addition, FBXO44 expression pattern in breast carcinomas suggests that SCF(FBXO44)-mediated BRCA1 degradation might contribute to sporadic breast tumor development.

Comprehensive report of aeropropulsion, space propulsion, space power, and space science applications of the Lewis Research Center

Science.gov (United States)

1988-01-01

The research activities of the Lewis Research Center for 1988 are summarized. The projects included are within basic and applied technical disciplines essential to aeropropulsion, space propulsion, space power, and space science/applications. These disciplines are materials science and technology, structural mechanics, life prediction, internal computational fluid mechanics, heat transfer, instruments and controls, and space electronics.

Causal symmetric spaces

CERN Document Server

Olafsson, Gestur; Helgason, Sigurdur

1996-01-01

This book is intended to introduce researchers and graduate students to the concepts of causal symmetric spaces. To date, results of recent studies considered standard by specialists have not been widely published. This book seeks to bring this information to students and researchers in geometry and analysis on causal symmetric spaces.Includes the newest results in harmonic analysis including Spherical functions on ordered symmetric space and the holmorphic discrete series and Hardy spaces on compactly casual symmetric spacesDeals with the infinitesimal situation, coverings of symmetric spaces, classification of causal symmetric pairs and invariant cone fieldsPresents basic geometric properties of semi-simple symmetric spacesIncludes appendices on Lie algebras and Lie groups, Bounded symmetric domains (Cayley transforms), Antiholomorphic Involutions on Bounded Domains and Para-Hermitian Symmetric Spaces

Weakly infinite-dimensional spaces

International Nuclear Information System (INIS)

Fedorchuk, Vitalii V

2007-01-01

In this survey article two new classes of spaces are considered: m-C-spaces and w-m-C-spaces, m=2,3,...,∞. They are intermediate between the class of weakly infinite-dimensional spaces in the Alexandroff sense and the class of C-spaces. The classes of 2-C-spaces and w-2-C-spaces coincide with the class of weakly infinite-dimensional spaces, while the compact ∞-C-spaces are exactly the C-compact spaces of Haver. The main results of the theory of weakly infinite-dimensional spaces, including classification via transfinite Lebesgue dimensions and Luzin-Sierpinsky indices, extend to these new classes of spaces. Weak m-C-spaces are characterised by means of essential maps to Henderson's m-compacta. The existence of hereditarily m-strongly infinite-dimensional spaces is proved.

Achievable space elevators for space transportation and starship acceleration

Science.gov (United States)

Pearson, Jerome

1990-04-01

Space elevator concepts for low-cost space launches are reviewed. Previous concepts suffered from requirements for ultra-high-strength materials, dynamically unstable systems, or from danger of collision with space debris. The use of magnetic grain streams solves these problems. Magnetic grain streams can support short space elevators for lifting payloads cheaply into Earth orbit, overcoming the material strength problem in building space elevators. Alternatively, the stream could support an international spaceport circling the Earth daily tens of miles above the equator, accessible to advanced aircraft. Mars could be equipped with a similar grain stream, using material from its moons Phobos and Deimos. Grain-stream arcs about the sun could be used for fast launches to the outer planets and for accelerating starships to near lightspeed for interstellar reconnaisance. Grain streams are essentially impervious to collisions, and could reduce the cost of space transportation by an order of magnitude.

Space and energy. [space systems for energy generation, distribution and control

Science.gov (United States)

Bekey, I.

1976-01-01

Potential contributions of space to energy-related activities are discussed. Advanced concepts presented include worldwide energy distribution to substation-sized users using low-altitude space reflectors; powering large numbers of large aircraft worldwide using laser beams reflected from space mirror complexes; providing night illumination via sunlight-reflecting space mirrors; fine-scale power programming and monitoring in transmission networks by monitoring millions of network points from space; prevention of undetected hijacking of nuclear reactor fuels by space tracking of signals from tagging transmitters on all such materials; and disposal of nuclear power plant radioactive wastes in space.

Learning Spaces

CERN Document Server

Falmagne, Jean-Claude

2011-01-01

Learning spaces offer a rigorous mathematical foundation for practical systems of educational technology. Learning spaces generalize partially ordered sets and are special cases of knowledge spaces. The various structures are investigated from the standpoints of combinatorial properties and stochastic processes. Leaning spaces have become the essential structures to be used in assessing students' competence of various topics. A practical example is offered by ALEKS, a Web-based, artificially intelligent assessment and learning system in mathematics and other scholarly fields. At the heart of A

Scientific Opinion on the re-evaluation of carnauba wax (E 903) as a food additive

OpenAIRE

EFSA Panel on Food Additives and Nutrient Sources added to Food (ANS)

2012-01-01

The Panel on Food Additives and Nutrient Sources added to Food (ANS) delivers a scientific opinion re-evaluating the safety of carnauba wax (E 903). Carnauba wax (E 903) is authorised in the EU as food additive as glazing agent. It has been evaluated by the Scientific Committee on Food (SCF) and by the Joint FAO/WHO Expert Committee on Food Additives (JECFA) who allocated an Acceptable Daily Intake (ADI) of 7 mg/kg bw/day. The SCF did not establish an ADI but considered the use of ca...

Effect of crosstalk on component savings in multi-core fiber networks

DEFF Research Database (Denmark)

Nooruzzaman, Md; Morioka, Toshio

2017-01-01

We estimate potential component savings in MCF-based networks by using shortest path traffic routing and compare them with the current SCF-based systems. We also investigate the potential impact of various inter-core crosstalk values on the number of needed transponders in MCF networks.......We estimate potential component savings in MCF-based networks by using shortest path traffic routing and compare them with the current SCF-based systems. We also investigate the potential impact of various inter-core crosstalk values on the number of needed transponders in MCF networks....

Effect of the potential well on low temperature pressure broadening in CO-He

Science.gov (United States)

Palma, A.; Green, S.

1986-01-01

Previously reported low-temperature pressure-broadening calculations (Green, 1985) for CO-He interacting via an SCF-CI potential are compared with new calculations in which the attractive part of the potential is either reduced by half or eliminated entirely. Results demonstrate that the attractive well is responsible for low-temperature enhancement of pressure-broadening cross sections and suggest that agreement with recent experimental values at 4 K (Messer and DeLucia, 1984) can be obtained by a modest reduction, probably within the expected uncertainty, in the attractive part of the SCF-CI potential.

"Lomonosov" Satellite—Space Observatory to Study Extreme Phenomena in Space

Science.gov (United States)

Sadovnichii, V. A.; Panasyuk, M. I.; Amelyushkin, A. M.; Bogomolov, V. V.; Benghin, V. V.; Garipov, G. K.; Kalegaev, V. V.; Klimov, P. A.; Khrenov, B. A.; Petrov, V. L.; Sharakin, S. A.; Shirokov, A. V.; Svertilov, S. I.; Zotov, M. Y.; Yashin, I. V.; Gorbovskoy, E. S.; Lipunov, V. M.; Park, I. H.; Lee, J.; Jeong, S.; Kim, M. B.; Jeong, H. M.; Shprits, Y. Y.; Angelopoulos, V.; Russell, C. T.; Runov, A.; Turner, D.; Strangeway, R. J.; Caron, R.; Biktemerova, S.; Grinyuk, A.; Lavrova, M.; Tkachev, L.; Tkachenko, A.; Martinez, O.; Salazar, H.; Ponce, E.

2017-11-01

The "Lomonosov" space project is lead by Lomonosov Moscow State University in collaboration with the following key partners: Joint Institute for Nuclear Research, Russia, University of California, Los Angeles (USA), University of Pueblo (Mexico), Sungkyunkwan University (Republic of Korea) and with Russian space industry organizations to study some of extreme phenomena in space related to astrophysics, astroparticle physics, space physics, and space biology. The primary goals of this experiment are to study: Ultra-high energy cosmic rays (UHECR) in the energy range of the Greizen-Zatsepin-Kuzmin (GZK) cutoff; Ultraviolet (UV) transient luminous events in the upper atmosphere; Multi-wavelength study of gamma-ray bursts in visible, UV, gamma, and X-rays; Energetic trapped and precipitated radiation (electrons and protons) at low-Earth orbit (LEO) in connection with global geomagnetic disturbances; Multicomponent radiation doses along the orbit of spacecraft under different geomagnetic conditions and testing of space segments of optical observations of space-debris and other space objects; Instrumental vestibular-sensor conflict of zero-gravity phenomena during space flight. This paper is directed towards the general description of both scientific goals of the project and scientific equipment on board the satellite. The following papers of this issue are devoted to detailed descriptions of scientific instruments.

q-Space Upsampling Using x-q Space Regularization.

Science.gov (United States)

Chen, Geng; Dong, Bin; Zhang, Yong; Shen, Dinggang; Yap, Pew-Thian

2017-09-01

Acquisition time in diffusion MRI increases with the number of diffusion-weighted images that need to be acquired. Particularly in clinical settings, scan time is limited and only a sparse coverage of the vast q -space is possible. In this paper, we show how non-local self-similar information in the x - q space of diffusion MRI data can be harnessed for q -space upsampling. More specifically, we establish the relationships between signal measurements in x - q space using a patch matching mechanism that caters to unstructured data. We then encode these relationships in a graph and use it to regularize an inverse problem associated with recovering a high q -space resolution dataset from its low-resolution counterpart. Experimental results indicate that the high-resolution datasets reconstructed using the proposed method exhibit greater quality, both quantitatively and qualitatively, than those obtained using conventional methods, such as interpolation using spherical radial basis functions (SRBFs).

Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

Science.gov (United States)

Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

2012-11-13

The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

Atmosphere and Ambient Space

DEFF Research Database (Denmark)

Schmidt, Ulrik

Atmosphere and Ambient Space This paper explores the relation between atmosphere and ambient space. Atmosphere and ambient space share many salient properties. They are both ontologically indeterminate, constantly varying and formally diffuse and they are both experienced as a subtle, non......-signifying property of a given space. But from a certain point of view, the two concepts also designate quite dissimilar experiences of space. To be ’ambient’ means to surround. Accordingly, ambient space is that space, which surrounds something or somebody. (Gibson 1987: 65) Since space is essentially...... of a surrounding character, all space can thus be described as having a fundamentally ambient character. So what precisely is an ambient space, then? As I will argue in my presentation, ambient space is a sensory effect of spatiality when a space is experienced as being particularly surrounding: a ‘space effect...

A Peek into a Cul-De-Sac and a Mews of Martian Dust Storm Activity: Western Hellas and Syria-Claritas Fossae During Mars Year 29

Science.gov (United States)

Heavens, N. G.

2016-12-01

Western Hellas Planitia (WHP) and the region encompassed by Syria Planum and Claritas Fossae are the main centers of textured dust storm activity in Mars's southern low to mid-latitudes. (Texture in this context refers to distinct fine structure at the cloud tops indicative of active lifting.) WHP is a well-known initiation zone for regional and global dust storm activity and often the end point of the Utopia "flushing storm" track. Syria-Claritas Fossae (SCF), too, can be a lifting center in global dust storm activity. Indeed, SCF and the area to its west was the region most denuded of dust by the Mars Year (MY) 25 global dust storm, perhaps suggesting that SCF contained the principal lifting center of the storm. Thus, if the Acidalia and Utopia storm tracks are Mars's dust storm alleys, through which dust storms pass quickly again and again; WHP might be a cul-de-sac and SCF something like a mews, where dust storm activity can enter more or less easily but may not as easily leave. In this presentation, I will focus on dust storm activity in these areas in a typical non-global dust storm year, MY 29. Synthesizing visible imagery by the Mars Color Imager (MARCI) on board Mars Reconnaissance Orbiter (MRO) and Mars Climate Sounder (MCS) also on board MRO, I will consider the climatology, morphology, texture, and vertical structure of dust storm activity in these areas in order to infer their governing dynamics. This investigation has two aims: (1) to understand why these areas are centers of textured dust storm activity; and (2) to connect the characteristics of smaller-scale dust storm activity in these regions to the underlying dynamics in order to understand the role of WHP and SCF in the dynamics of global dust storms. This work is supported by NASA's Mars Data Analysis Program (NNX14AM32G).

Tribal implementation of a patient-centred medical home model in Alaska accompanied by decreased hospital use

Directory of Open Access Journals (Sweden)

Janet M. Johnston

2013-08-01

Full Text Available Background. Between 1995 and 1998, tribally owned Southcentral Foundation (SCF incrementally assumed responsibility from the Indian Health Service (IHS for primary care services on the Alaska Native Medical Center (ANMC campus in Anchorage, Alaska. In 1999, SCF began implementing components of a Patient-Centered Medical Home (PCMH model to improve access and continuity of care. Objective. To evaluate hospitalisation trends before, during and after PCMH implementation. Design. Time series analysis of aggregated medical record data. Methods. Regression analysis with correlated errors was used to estimate trends over time for the percent of customer-owners hospitalised overall and for specific conditions during 4 time periods (March 1996–July 1999: SCF assumes responsibility for primary care; August 1999–July 2000: PCMH implementation starts; August 2000–April 2005: early post-PCMH implementation; May 2005–December 2009: later post-PCMH implementation. Analysis was restricted to individuals residing in Southcentral Alaska and receiving health care at ANMC. Results. The percent of SCF customer-owners hospitalised per month for any reason was steady before and during PCMH implementation, declined steadily immediately following implementation and subsequently stabilised. The percent hospitalised per month for unintentional injury or poisoning also declined during and after the PCMH implementation. Among adult asthma patients, the percent hospitalised annually for asthma declined prior to and during implementation and remained lower thereafter. The percent of heart failure patients hospitalised annually for heart failure remained relatively constant throughout the study period while the percent of hypertension patients hospitalised for hypertension shifted higher between 1999 and 2002 compared to earlier and later years. Conclusion. Implementation of PCMH at SCF was accompanied by decreases in the percent of customer-owners hospitalised monthly

The Austrian Space Plan

Science.gov (United States)

Pseiner, K.; Balogh, W.

2002-01-01

After several years of preparation and discussion among the involved players, the Austrian Space Plan was approved for implementation in November 2001. Based on careful benchmarking and analysis of the capabilities of the Austrian space sector it aims to create excellent conditions for the sector's further development. The new space strategy embraces Austria's participation in the mandatory and optional programmes of the European Space Agency and establishes a National Space Programme supported by separate funding opportunities. A set of clearly-defined indicators ensures that the progress in implementing the Space Plan can be objectively judged through independent, annual reviews. The National Space Programme promotes international cooperation in space research and space activities with the aim to strengthen the role of space science and to better prepare Austrian space industry for the commercial space market. In the framework of the Space Plan the Austrian Space Agency has been tasked with integrating the industry's growing involvement in aeronautics activities to better utilize synergies with the space sector. This paper reviews the various steps leading to the approval of the new space strategy and discusses the hurdles mastered in this process. It reports on the Space Plan's first results, specifically taking into account projects involving international cooperation. For the first the Austria aerospace-sector can rely on an integrated strategy for aeronautics- and space activities which is firmly rooted in the efforts to enhance the country's R&D activities. It may also act as a useful example for other small space- using countries planning to enhance their involvement in space activities.

Space station astronauts discuss life in space during AGU interview

Science.gov (United States)

Showstack, Randy

2012-07-01

Just one day after China's Shenzhou-9 capsule, carrying three Chinese astronauts, docked with the Tiangong-1 space lab on 18 June, Donald Pettit, a NASA astronaut on the International Space Station (ISS), said it is “a step in the right direction” that more people are in space. “Before they launched, there were six people in space,” he said, referring to those on ISS, “and there are 7 billion people on Earth.” The astronauts were “like one in a billion. Now there are nine people in space,” Pettit said during a 19 June interview that he and two other astronauts onboard ISS had with AGU. Pettit continued, “So the gradient of human beings going into space is moving in the right direction. We need to change these numbers so that more and more human beings can call space their home so we can expand off of planet Earth and move out into our solar system.”

Space Microbiology

Science.gov (United States)

Horneck, Gerda; Klaus, David M.; Mancinelli, Rocco L.

2010-01-01

Summary: The responses of microorganisms (viruses, bacterial cells, bacterial and fungal spores, and lichens) to selected factors of space (microgravity, galactic cosmic radiation, solar UV radiation, and space vacuum) were determined in space and laboratory simulation experiments. In general, microorganisms tend to thrive in the space flight environment in terms of enhanced growth parameters and a demonstrated ability to proliferate in the presence of normally inhibitory levels of antibiotics. The mechanisms responsible for the observed biological responses, however, are not yet fully understood. A hypothesized interaction of microgravity with radiation-induced DNA repair processes was experimentally refuted. The survival of microorganisms in outer space was investigated to tackle questions on the upper boundary of the biosphere and on the likelihood of interplanetary transport of microorganisms. It was found that extraterrestrial solar UV radiation was the most deleterious factor of space. Among all organisms tested, only lichens (Rhizocarpon geographicum and Xanthoria elegans) maintained full viability after 2 weeks in outer space, whereas all other test systems were inactivated by orders of magnitude. Using optical filters and spores of Bacillus subtilis as a biological UV dosimeter, it was found that the current ozone layer reduces the biological effectiveness of solar UV by 3 orders of magnitude. If shielded against solar UV, spores of B. subtilis were capable of surviving in space for up to 6 years, especially if embedded in clay or meteorite powder (artificial meteorites). The data support the likelihood of interplanetary transfer of microorganisms within meteorites, the so-called lithopanspermia hypothesis. PMID:20197502

Space development and space science together, an historic opportunity

Science.gov (United States)

Metzger, P. T.

2016-11-01

The national space programs have an historic opportunity to help solve the global-scale economic and environmental problems of Earth while becoming more effective at science through the use of space resources. Space programs will be more cost-effective when they work to establish a supply chain in space, mining and manufacturing then replicating the assets of the supply chain so it grows to larger capacity. This has become achievable because of advances in robotics and artificial intelligence. It is roughly estimated that developing a lunar outpost that relies upon and also develops the supply chain will cost about 1/3 or less of the existing annual budgets of the national space programs. It will require a sustained commitment of several decades to complete, during which time science and exploration become increasingly effective. At the end, this space industry will capable of addressing global-scale challenges including limited resources, clean energy, economic development, and preservation of the environment. Other potential solutions, including nuclear fusion and terrestrial renewable energy sources, do not address the root problem of our limited globe and there are real questions whether they will be inadequate or too late. While industry in space likewise cannot provide perfect assurance, it is uniquely able to solve the root problem, and it gives us an important chance that we should grasp. What makes this such an historic opportunity is that the space-based solution is obtainable as a side-benefit of doing space science and exploration within their existing budgets. Thinking pragmatically, it may take some time for policymakers to agree that setting up a complete supply chain is an achievable goal, so this paper describes a strategy of incremental progress. The most crucial part of this strategy is establishing a water economy by mining on the Moon and asteroids to manufacture rocket propellant. Technologies that support a water economy will play an

Model-Based Trade Space Exploration for Near-Earth Space Missions

Science.gov (United States)

Cohen, Ronald H.; Boncyk, Wayne; Brutocao, James; Beveridge, Iain

2005-01-01

We developed a capability for model-based trade space exploration to be used in the conceptual design of Earth-orbiting space missions. We have created a set of reusable software components to model various subsystems and aspects of space missions. Several example mission models were created to test the tools and process. This technique and toolset has demonstrated itself to be valuable for space mission architectural design.

The Second Space Race

Science.gov (United States)

Fawkes, S.

This paper compares and contrasts the characteristics of the first space race, which ran from the late 1950s to the late 1990s, and the second space race that began with the successful space flight of SpaceShipOne in 2004. The first space race was between superpowers seeking to establish geo-political dominance in the Cold War. The second space race will be between competing companies seeking to establish low cost access to space for ordinary people. The first space race achieved its geo- political objectives but did not open up low cost access to space but rather restricted access to a select few, highly trained astronauts and cosmonauts. The second space race, driven by the size and growth of the travel and tourism industry, promises to open up access to space to millions of space tourists.

Theory of function spaces

CERN Document Server

Triebel, Hans

1983-01-01

The book deals with the two scales Bsp,q and Fsp,q of spaces of distributions, where -8spaces, such as Hölder spaces, Zygmund classes, Sobolev spaces, Besov spaces, Bessel-potential spaces, Hardy spaces and spaces of BMO-type. It is the main aim of this book to give a unified treatment of the corresponding spaces on the Euclidean n-space Rn in the framework of Fourier analysis, which is based on the technique of maximal functions, Fourier multipliers and interpolation assertions. These topics are treated in Chapter 2, which is the heart

Paradigm shift regarding the transversalis fascia, preperitoneal space, and Retzius' space.

Science.gov (United States)

Asakage, N

2018-06-01

There has been confusion in the anatomical recognition when performing inguinal hernia operations in Japan. From now on, a paradigm shift from the concept of two-dimensional layer structure to the three-dimensional space recognition is necessary to promote an understanding of anatomy. Along with the formation of the abdominal wall, the extraperitoneal space is formed by the transversalis fascia and preperitoneal space. The transversalis fascia is a somatic vascular fascia originating from an arteriovenous fascia. It is a dense areolar tissue layer at the outermost of the extraperitoneal space that runs under the diaphragm and widely lines the body wall muscle. The umbilical funiculus is taken into the abdominal wall and transformed into the preperitoneal space that is a local three-dimensional cavity enveloping preperitoneal fasciae composed of the renal fascia, vesicohypogastric fascia, and testiculoeferential fascia. The Retzius' space is an artificial cavity formed at the boundary between the transversalis fascia and preperitoneal space. In the underlay mesh repair, the mesh expands in the range spanning across the Retzius' space and preperitoneal space.

Intrinsic space charge resonances and the space charge limit

International Nuclear Information System (INIS)

Parzen, G.

1990-01-01

A study has been done of the dependence of the space charge limit on the choice of ν-values using a simulation program. This study finds a strong dependence of the space charge limit on the location of the ν-values relative to the intrinsic space charge resonances, which are driven by the space charge forces due to the beam itself. Four accelerators were studied. For some of these accelerators the study suggest that the space charge limit can be increased by about a factor of 2 proper choice of the ν-values. The lower order 1/2 and 1/4 intrinsic resonances appear to be the important resonances. There is some evidence for effects due to the 1/6 and 1/8 intrinsic resonances, particularly for larger synchrotrons. 5 figs

Space-Hotel Early Bird - Visions for a Commercial Space Hotel

Science.gov (United States)

Amekrane, R.; Holze, C.; Apel, U.

2002-01-01

rachid.amekrane@astrium-space.com/Fax: +49 421 539-24801, cholze@zarm.uni-bremen.de/Fax: +49 421 218-7473, The International Space Station was planed for research purposes. In 2001 the first private man, Denis Tito,visited the ISS and the second private man, Mark Shuttleworth is following him. The gate towards the commercial utilization of manned space flight has been pushed open. Space pioneers as Wernher von Braun and Sir Arthur C. Clarke had the dream that one day a space station in earth orbit will host tourists. It is evident that the ISS is not designed to host tourists. Therefore the dream of the pioneers is still open. By asking the question "how should a space station should look like to host tourists?", the German Aerospace Society DGLR e.V. organized a contest under the patronage of Mr. Joerg Feustel-Buechl, the Director of Manned Spaceflight and Microgravity, European Space Agency (ESA) in April 2001. Because the definition and design of living space is the content of architecture the approach was to gather new ideas from young architects in cooperation with space experts. This contest was directed at students of architecture and the task set was to design a hotel for the earth orbit and to accommodate 220 guests. The contest got the name "Early Bird - Visions of a Space Hotel". The results and models of the student's work were shown in an exhibition in Hamburg/Germany, which was open to the public from September 19th till October 20th 2001. During the summer term of 2001 seventeen designs were completed. Having specialists, as volunteers, in the field of space in charge meant that it could be ensured that the designs reflected a certain possibility of being able to be realized. Within this interdisciplinary project both parties learned from each other. The 17 different designs were focused on the expectations and needs of a future space tourist. The designs are for sure not feasible today, but the designs are in that sense realistic that they could be

Budgeting Academic Space

Science.gov (United States)

Harris, Watson

2011-01-01

There are many articles about space management, including those that discuss space calculations, metrics, and categories. Fewer articles discuss the space budgeting processes used by administrators to allocate space. The author attempts to fill this void by discussing her administrative experiences with Middle Tennessee State University's (MTSU)…

Mapping spaces and automorphism groups of toric noncommutative spaces

Science.gov (United States)

Barnes, Gwendolyn E.; Schenkel, Alexander; Szabo, Richard J.

2017-09-01

We develop a sheaf theory approach to toric noncommutative geometry which allows us to formalize the concept of mapping spaces between two toric noncommutative spaces. As an application, we study the `internalized' automorphism group of a toric noncommutative space and show that its Lie algebra has an elementary description in terms of braided derivations.

Computed tomography of the carotid space and related cervical spaces. Part 1. Anatomy

International Nuclear Information System (INIS)

Silver, A.J.; Mawad, M.E.; Hilal, S.K.; Sane, P.; Ganti, S.R.

1984-01-01

The carotid space, parapharyngeal space, and paraspinal space are described. The carotid space is shown on computed tomography (CT) to be posterior to the parapharyngeal space and separated from it by the styloid apparatus. The paraspinal space is posterior to the carotid space and separated from it by the longus and anterior scalene muscles

Space Livability of Street Vendors in Simpang Lima Public Space, Semarang

Science.gov (United States)

Widjajanti, R.; Wahyono, H.

2018-02-01

Street vendors in Semarang have been growing rapidly and uncontrolled. They always use public space such as public roads, sidewalks, parks and fields as trading locations. The street vendors’ activities in the public space are considered as the cause of declining on environmental quality and aesthetics of the city. All these years, the government often evicted the street vendors than organized and provides adequate space for them. As one of the actual urban activities, the street vendors’ activities should be accommodated by the government and the location for them is managed in the urban spatial plan. Street vendors need spaces which livable and suitable to their activities’ requirements, has a relationship with users (street vendors’ doers and consumers) and the activities of street vendors themselves. Research on the aspect of space for street vendors is still less in quantity, whereas space for them is an urgent matter for the government in managing their activities. This study aims to identify the livability of space based on the street vendors’ behavior in their location. This research used descriptive quantitative method with questionnaires and GIS as the mapping tool for street vendors’ location. The result of the research shows that the livability of street vendor space is based on the activity of street vendors (type of merchandise, trading places’ size, trade place assessment, space dimension, trading time, duration and period) and space conditions (access, natural elements, safety and parking space).

Legal Consequences of the Pollution of Outer Space with Space Debris

Science.gov (United States)

Stubbe, Peter

2017-07-01

Space debris has grown to be a significant problem for outer space activities. The remnants of human activities in space are very diverse; they can be tiny paint flakes, all sorts of fragments, or entirely intact—but otherwise nonfunctional spacecraft and rocket bodies. The amount of debris is increasing at a growing pace, thus raising the risk of collision with operational satellites. Due to the relative high velocities involved in on-orbit collisions, their consequences are severe; collisions lead to significant damage or the complete destruction of the affected spacecraft. Protective measures and collision avoidance have thus become a major concern for spacecraft operators. The pollution of space with debris must, however, not only be seen as an unfavorable circumstance that accompanies space activities and increases the costs and complexity of outer space activities. Beyond this rather technical perspective, the presence of man-made, nonfunctional objects in space represents a global environmental concern. Similar to the patterns of other environmental problems on Earth, debris generation appears to have surpassed the absorption capacity of the space environment. Studies indicate that the evolution of the space object environment has crossed the tipping point to a runaway situation in which an increasing number of collisions―mostly among debris―leads to an uncontrolled population growth. It is thus in the interest of all mankind to address the debris problem in order to preserve the space environment for future generations. International space law protects the space environment. Article IX of the Outer Space Treaty obligates States to avoid the harmful contamination of outer space. The provision corresponds to the obligation to protect the environment in areas beyond national jurisdiction under the customary "no harm" rule of general environmental law. These norms are applicable to space debris and establish the duty not to pollute outer space by limiting

FY1995 generic supercritical water technology; 1995 nendo generic technology to shite no chorinkai riyo gijutsu

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-03-01

For the establishment of the basis of supercritical fluid technology, we perform elucidation of the specific feature of the supercritical fluid as a reaction media and development of some new process. In this study, we first studied the fluid structure of SCF through in-situ spectroscopy and MD simulation. As a result, significant hydrogen bonding amongst water molecules and a solvation structure around the solute were observed in the supercritical state. This fluid structure has new features different from that of high temperature steam or liquid water. We found that this is closely related to the difference of bulk properties of SCF and local one around the solute. On the basis of these fundamental findings and with the better understanding of the specific features of SCF as a reaction media, development of some new process had been conducted more efficiently and successfully. The processes being developed in this study include 1) waste biomass and plastic conversion to recover chemicals, 2) hydrogenation of heavy oil for desulphurization through partial oxidation 1 and 3) hydrothermal synthesis of metal oxide fine particles. (NEDO)

Spontaneous cholecystocutaneous fistula as a primary manifestation of gallbladder adenocarcinoma associated with gallbladder lithiasis - case report.

Science.gov (United States)

Micu, Bogdan Vasile; Andercou, Octavian Aurel; Micu, Carmen Maria; Militaru, Valentin; Jeican, IonuŢ Isaia; Bungărdean, Cătălina Ileana; Mogoantă, Stelian ŞtefăniŢă; Miclăuş, Dan Radu; Pop, Tudor Radu

2017-01-01

Spontaneous cholecystocutaneous fistula (SCF) is a rare complication of neglected calculous biliary disease and also an extremely rare complication of gallbladder neoplasm. This pathology has become even rarer because of prompt diagnosis and expedient surgical intervention for gallstones. So far, there is one published report of a SCF due to gallbladder adenocarcinoma. We present the case of a woman aged 87 years, admitted to the Vth Department of Surgery, Clinical Municipal Hospital of Cluj-Napoca (Romania) for a tumoral mass located in the epigastrium. In the epigastrium, the patient had three skin orifices of about 1-2 mm each, through which purulent secretion occurred. The abdominal ultrasound highlighted a cholecystocutaneous fistula with the presence of a subcutaneous gallstone. Intraoperatively, we found a cholecystocutaneous fistula, a 1 cm subcutaneous gallstone, gallbladder with thickened walls containing a cylinder-shaped gallstone of 5÷3 cm. Fistulectomy, gallstones extraction and cholecystectomy were performed. The histopathological examination highlighted gallbladder adenocarcinoma. In conclusion, SCF can be the first significant manifestation of gallbladder cancer associated with neglected calculous biliary disease.

The inclusion of Duroc breed in maternal line affects pork quality and fatty acid profile.

Science.gov (United States)

Alonso, Verónica; Muela, Erica; Gutiérrez, Beatriz; Calanche, Juan Benito; Roncalés, Pedro; Beltrán, José A

2015-09-01

The aim of this study was to evaluate the effect of including different percentages of Duroc (D) breed in maternal line [Landrace (LR) × Large White (LW); LR × (LW × D); LR × D] and gender on meat quality and intramuscular (IMF) and subcutaneous (SCF) fatty acid composition. No significant differences were found among dam lines in ultimate pH, L* values and drip and cooking losses. There were higher percentages of saturated fatty acids in LR × D and LR × (LW × D) lines and higher percentages of polyunsaturated fatty acids in LR × LW line in IMF and SCF. Also, LR × D line produced pork with a lower Warner-Bratzler shear force values and higher IMF content and potential of lipid oxidation. Furthermore, the L*, a* and b* values and drip loss were greater in pork from entire males than females. The IMF and SCF of females were more monounsaturated and less polyunsaturated than those from entire males. Copyright © 2015 Elsevier Ltd. All rights reserved.

Overcoming SMEs Financing and Supply Chain Obstacles by Introducing Supply Chain Finance

Directory of Open Access Journals (Sweden)

Abbasi Waseem Ahmed

2018-05-01

Full Text Available Keeping in view the importance of small and medium enterprises (SMEs for the growth of a nation, we must also keep an eye on the challenges faced by those SMEs. There are various kinds of financing and supply chain options available for SMEs but they still face lot of hindrances. This paper would help us to understand why SMEs are important for the development of any country and how could we help the SMEs from facing challenges related to financing and supply chain. This study further highlights the key financing issues faced by SMEs and also focuses on major supply chain challenges confronted by the SMEs. This study put emphasis on the concept of supply chain finance (SCF and that how SCF could help SMEs to overcome those challenges. In addition, this paper also points out the benefits and prospects of SMEs. Even though the concept of SCF is still in developing phase but it has shown significant assistance to SMEs in order to grow further.

Animals in Space From Research Rockets to the Space Shuttle

CERN Document Server

Burgess, Colin

2007-01-01

Many readers will doubtless be astonished to learn that animals were being fired aloft in U.S. and Soviet research rockets in the late 1940s. In fact most people not only believe that the Russian space dog Laika was the first canine to be launched into space, but also that the high-profile, precursory Mercury flights of chimps Ham and Enos were the only primate flights conducted by the United States. In fact, both countries had sent literally dozens of animals aloft for many years prior to these events and continued to do so for many years after. Other latter-day space nations, such as France and China, would also begin to use animals in their own space research. Animals in Space will explain why dogs, primates, mice and other rodents were chosen and tested, at a time when dedicated scientists from both space nations were determined to establish the survivability of human subjects on both ballistic and orbital space flights. It will also recount the way this happened; the secrecy involved and the methods empl...

Gender and Space: Analysis of Factors Conditioning Equity in the Public Space

Directory of Open Access Journals (Sweden)

Pablo Paramo Bernal

2011-01-01

Full Text Available This article discusses gender research in urban public space through three different perspectives: the social representations and differentiated uses of space, the division of roles in public and private spaces, and urban planning of public space. The paper gathers and analyses some studies that complement the state of art and literature on women and space giving evidence on how women have been segregated from public space and are victim of gender inequalities. Public space does not exist absolutely nor gender; instead both are socially constructed by social order and reproduced by social practices. Finally, some suggestions for urban planning and research are given in order to respond women’s needs in public space.

Space Research, Education, and Related Activities In the Space Sciences

Science.gov (United States)

Black, David

2002-01-01

The mission of this activity, known as the Cooperative Program in Space Sciences (CPSS), is to conduct space science research and leading-edge instrumentation and technology development, enable research by the space sciences communities, and to expedite the effective dissemination of space science research, technology, data, and information to the educational community and the general public. To fulfill this mission, the Universities Space Research Association (USRA) recruits and maintains a staff of scientific researchers, operates a series of guest investigator facilities, organizes scientific meetings and workshops, and encourages various interactions with students and university faculty members. This paper is the final report from this now completed Cooperative Agreement.

A Strategy for Thailand's Space Technology Development: National Space Program (NSP)

Science.gov (United States)

Pimnoo, Ammarin; Purivigraipong, Somphop

2016-07-01

The Royal Thai Government has established the National Space Policy Committee (NSPC) with mandates for setting policy and strategy. The NSPC is considering plans and budget allocation for Thai space development. NSPC's goal is to promote the utilization of space technology in a manner that is congruent with the current situation and useful for the economy, society, science, technology, educational development and national security. The first proposed initiative of the National Space Program (NSP) is co-development of THEOS-2, a next-generation satellite system that includes Thailand's second and third earth observation satellite (THAICHOTE-2 and THAICHOTE-3). THEOS-1 or THAICHOTE-1 was the first Earth Observation Satellite of Thailand launched in 2008. At present, the THAICHOTE-1 is over the lifetime, therefore the THEOS-2 project has been established. THEOS-2 is a complete Earth Observation System comprising THAICHOTE-2&3 as well as ground control segment and capacity building. Thus, NSPC has considered that Thailand should manage the space system. Geo-Informatics and Space Technology Development Agency (GISTDA) has been assigned to propose the initiative National Space Program (NSP). This paper describes the strategy of Thailand's National Space Program (NSP) which will be driven by GISTDA. First, NSP focuses on different aspects of the utilization of space on the basis of technology, innovation, knowledge and manpower. It contains driving mechanisms related to policy, implementation and use in order to promote further development. The Program aims to increase economic competitiveness, reduce social disparity, and improve social security, natural resource management and environmental sustainability. The NSP conceptual framework includes five aspects: communications satellites, earth observation satellite systems, space economy, space exploration and research, and NSP administration. THEOS-2 is considered a part of NSP with relevance to the earth observation

A Milestone in Commercial Space Weather: USTAR Center for Space Weather

Science.gov (United States)

Tobiska, W.; Schunk, R. W.; Sojka, J. J.; Thompson, D. C.; Scherliess, L.; Zhu, L.; Gardner, L. C.

2009-12-01

As of 2009, Utah State University (USU) hosts a new organization to develop commercial space weather applications using funding that has been provided by the State of Utah’s Utah Science Technology and Research (USTAR) initiative. The USTAR Center for Space Weather (UCSW) is located on the USU campus in Logan, Utah and is developing innovative applications for mitigating adverse space weather effects in technological systems. Space weather’s effects upon the near-Earth environment are due to dynamic changes in the Sun’s photons, particles, and fields. Of the space environment domains that are affected by space weather, the ionosphere is the key region that affects communication and navigation systems. The UCSW has developed products for users of systems that are affected by space weather-driven ionospheric changes. For example, on September 1, 2009 USCW released, in conjunction with Space Environment Technologies, the world’s first real-time space weather via an iPhone app. Space WX displays the real-time, current global ionosphere total electron content along with its space weather drivers; it is available through the Apple iTunes store and is used around the planet. The Global Assimilation of Ionospheric Measurements (GAIM) system is now being run operationally in real-time at UCSW with the continuous ingestion of hundreds of global data streams to dramatically improve the ionosphere’s characterization. We discuss not only funding and technical advances that have led to current products but also describe the direction for UCSW that includes partnering opportunities for moving commercial space weather into fully automated specification and forecasting over the next half decade.

κ-Rindler space

International Nuclear Information System (INIS)

Kowalski-Glikman, J.

2009-01-01

In this paper we construct, and investigate some thermal properties of, the noncommutative counterpart of Rindler space, which we call κ-Rindler space. This space is obtained by changing variables in the defining commutators of κ-Minkowski space. We then rederive the commutator structure of κ-Rindler space with the help of an appropriate star product, obtained from the κ-Minkowski one. Using this star product, following the idea of Padmanabhan, we find the leading order, 1/κ correction to the Hawking thermal spectrum.

Space in Space: Designing for Privacy in the Workplace

Science.gov (United States)

Akin, Jonie

2015-01-01

Privacy is cultural, socially embedded in the spatial, temporal, and material aspects of the lived experience. Definitions of privacy are as varied among scholars as they are among those who fight for their personal rights in the home and the workplace. Privacy in the workplace has become a topic of interest in recent years, as evident in discussions on Big Data as well as the shrinking office spaces in which people work. An article in The New York Times published in February of this year noted that "many companies are looking to cut costs, and one way to do that is by trimming personal space". Increasingly, organizations ranging from tech start-ups to large corporations are downsizing square footage and opting for open-office floorplans hoping to trim the budget and spark creative, productive communication among their employees. The question of how much is too much to trim when it comes to privacy, is one that is being actively addressed by the National Aeronautics and Space Administration (NASA) as they explore habitat designs for future space missions. NASA recognizes privacy as a design-related stressor impacting human health and performance. Given the challenges of sustaining life in an isolated, confined, and extreme environment such as Mars, NASA deems it necessary to determine the acceptable minimal amount for habitable volume for activities requiring at least some level of privacy in order to support optimal crew performance. Ethnographic research was conducted in 2013 to explore perceptions of privacy and privacy needs among astronauts living and working in space as part of a long-distance, long-duration mission. The allocation of space, or habitable volume, becomes an increasingly complex issue in outer space due to the costs associated with maintaining an artificial, confined environment bounded by limitations of mass while located in an extreme environment. Privacy in space, or space in space, provides a unique case study of the complex notions of

The Orbital Space Environment and Space Situational Awareness Domain Ontology - Toward an International Information System for Space Data

Science.gov (United States)

Rovetto, R.

2016-09-01

The orbital space environment is home to natural and artificial satellites, debris, and space weather phenomena. As the population of orbital objects grows so do the potential hazards to astronauts, space infrastructure and spaceflight capability. Orbital debris, in particular, is a universal concern. This and other hazards can be minimized by improving global space situational awareness (SSA). By sharing more data and increasing observational coverage of the space environment we stand to achieve that goal, thereby making spaceflight safer and expanding our knowledge of near-Earth space. To facilitate data-sharing interoperability among distinct orbital debris and space object catalogs, and SSA information systems, I proposed ontology in (Rovetto, 2015) and (Rovetto and Kelso, 2016). I continue this effort toward formal representations and models of the overall domain that may serve to improve peaceful SSA and increase our scientific knowledge. This paper explains the project concept introduced in those publications, summarizing efforts to date as well as the research field of ontology development and engineering. I describe concepts for an ontological framework for the orbital space environment, near-Earth space environment and SSA domain. An ontological framework is conceived as a part of a potential international information system. The purpose of such a system is to consolidate, analyze and reason over various sources and types of orbital and SSA data toward the mutually beneficial goals of safer space navigation and scientific research. Recent internationals findings on the limitations of orbital data, in addition to existing publications on collaborative SSA, demonstrate both the overlap with this project and the need for datasharing and integration.

Space polypropulsion

Science.gov (United States)

Kellett, B. J.; Griffin, D. K.; Bingham, R.; Campbell, R. N.; Forbes, A.; Michaelis, M. M.

2008-05-01

Hybrid space propulsion has been a feature of most space missions. Only the very early rocket propulsion experiments like the V2, employed a single form of propulsion. By the late fifties multi-staging was routine and the Space Shuttle employs three different kinds of fuel and rocket engines. During the development of chemical rockets, other forms of propulsion were being slowly tested, both theoretically and, relatively slowly, in practice. Rail and gas guns, ion engines, "slingshot" gravity assist, nuclear and solar power, tethers, solar sails have all seen some real applications. Yet the earliest type of non-chemical space propulsion to be thought of has never been attempted in space: laser and photon propulsion. The ideas of Eugen Saenger, Georgii Marx, Arthur Kantrowitz, Leik Myrabo, Claude Phipps and Robert Forward remain Earth-bound. In this paper we summarize the various forms of nonchemical propulsion and their results. We point out that missions beyond Saturn would benefit from a change of attitude to laser-propulsion as well as consideration of hybrid "polypropulsion" - which is to say using all the rocket "tools" available rather than possibly not the most appropriate. We conclude with three practical examples, two for the next decades and one for the next century; disposal of nuclear waste in space; a grand tour of the Jovian and Saturnian moons - with Huygens or Lunoxod type, landers; and eventually mankind's greatest space dream: robotic exploration of neighbouring planetary systems.

Biotechnological experiments in space flights on board of space stations

Science.gov (United States)

Nechitailo, Galina S.

2012-07-01

Space flight conditions are stressful for any plant and cause structural-functional transition due to mobiliation of adaptivity. In space flight experiments with pea tissue, wheat and arabidopsis we found anatomical-morphological transformations and biochemistry of plants. In following experiments, tissue of stevia (Stevia rebaudiana), potato (Solanum tuberosum), callus culture and culture and bulbs of suffron (Crocus sativus), callus culture of ginseng (Panax ginseng) were investigated. Experiments with stevia carried out in special chambers. The duration of experiment was 8-14 days. Board lamp was used for illumination of the plants. After experiment the plants grew in the same chamber and after 50 days the plants were moved into artificial ionexchange soil. The biochemical analysis of plants was done. The total concentration of glycozides and ratio of stevioside and rebauside were found different in space and ground plants. In following generations of stevia after flight the total concentration of stevioside and rebauside remains higher than in ground plants. Experiments with callus culture of suffron carried out in tubes. Duration of space flight experiment was 8-167 days. Board lamp was used for illumination of the plants. We found picrocitina pigment in the space plants but not in ground plants. Tissue culture of ginseng was grown in special container in thermostate under stable temperature of 22 ± 0,5 C. Duration of space experiment was from 8 to 167 days. Biological activity of space flight culutre was in 5 times higher than the ground culture. This difference was observed after recultivation of space flight samples on Earth during year after flight. Callus tissue of potato was grown in tubes in thermostate under stable temperature of 22 ± 0,5 C. Duration of space experiment was from 8 to 14 days. Concentration of regenerates in flight samples was in 5 times higher than in ground samples. The space flight experiments show, that microgravity and other

Space Shuttle and Space Station Radio Frequency (RF) Exposure Analysis

Science.gov (United States)

Hwu, Shian U.; Loh, Yin-Chung; Sham, Catherine C.; Kroll, Quin D.

2005-01-01

This paper outlines the modeling techniques and important parameters to define a rigorous but practical procedure that can verify the compliance of RF exposure to the NASA standards for astronauts and electronic equipment. The electromagnetic modeling techniques are applied to analyze RF exposure in Space Shuttle and Space Station environments with reasonable computing time and resources. The modeling techniques are capable of taking into account the field interactions with Space Shuttle and Space Station structures. The obtained results illustrate the multipath effects due to the presence of the space vehicle structures. It's necessary to include the field interactions with the space vehicle in the analysis for an accurate assessment of the RF exposure. Based on the obtained results, the RF keep out zones are identified for appropriate operational scenarios, flight rules and necessary RF transmitter constraints to ensure a safe operating environment and mission success.

Space engineering

Science.gov (United States)

Alexander, Harold L.

1991-01-01

Human productivity was studied for extravehicular tasks performed in microgravity, particularly including in-space assembly of truss structures and other large objects. Human factors research probed the anthropometric constraints imposed on microgravity task performance and the associated workstation design requirements. Anthropometric experiments included reach envelope tests conducted using the 3-D Acoustic Positioning System (3DAPS), which permitted measuring the range of reach possible for persons using foot restraints in neutral buoyancy, both with and without space suits. Much neutral buoyancy research was conducted using the support of water to simulate the weightlessness environment of space. It became clear over time that the anticipated EVA requirement associated with the Space Station and with in-space construction of interplanetary probes would heavily burden astronauts, and remotely operated robots (teleoperators) were increasingly considered to absorb the workload. Experience in human EVA productivity led naturally to teleoperation research into the remote performance of tasks through human controlled robots.

Integral type operators from normal weighted Bloch spaces to QT,S spaces

Directory of Open Access Journals (Sweden)

Yongyi GU

2016-08-01

Full Text Available Operator theory is an important research content of the analytic function space theory. The discussion of simultaneous operator and function space is an effective way to study operator and function space. Assuming that  is an analytic self map on the unit disk Δ, and the normal weighted bloch space μ-B is a Banach space on the unit disk Δ, defining a composition operator C∶C(f=f on μ-B for all f∈μ-B, integral type operator JhC and CJh are generalized by integral operator and composition operator. The boundeness and compactness of the integral type operator JhC acting from normal weighted Bloch spaces to QT,S spaces are discussed, as well as the boundeness of the integral type operators CJh acting from normal weighted Bloch spaces to QT,S spaces. The related sufficient and necessary conditions are given.

A 3D CFD Modelling Study of a Diesel Oil Evaporation Device Operating in the Stabilized Cool Flame Regime

Directory of Open Access Journals (Sweden)

Dionysios I. Kolaitis

2010-12-01

Full Text Available Diesel fuel is used in a variety of technological applications due to its high energy density and ease of distribution and storage. Motivated by the need to use novel fuel utilization techniques, such as porous burners and fuel cells, which have to be fed with a gaseous fuel, a Diesel fuel evaporation device, operating in the “Stabilized Cool Flame” (SCF regime, is numerically investigated. In this device, a thermo-chemically stable low-temperature oxidative environment is developed, which produces a well-mixed, heated air-fuel vapour gaseous mixture that can be subsequently fed either to premixed combustion systems or fuel reformer devices for fuel cell applications. In this work, the ANSYS CFX 11.0 CFD code is used to simulate the three-dimensional, turbulent, two-phase, multi-component and reacting flow-field, developed in a SCF evaporation device. An innovative modelling approach, based on the fitting parameter concept, has been developed in order to simulate cool flame reactions. The model, based on physico-chemical reasoning coupled with information from available experimental data, is implemented in the CFD code and is validated by comparing numerical predictions to experimental data obtained from an atmospheric pressure, recirculating flow SCF device. Numerical predictions are compared with temperature measurements, achieving satisfactory levels of agreement. The developed numerical tool can effectively support the theoretical study of the physical and chemical phenomena emerging in practical devices of liquid fuel spray evaporation in a SCF environment, as well as the design optimisation process of such innovative devices.

Stress concentration factors at saddle and crown positions on the central brace of two-planar welded CHS DKT-connections

Science.gov (United States)

Ahmadi, Hamid; Lotfollahi-Yaghin, Mohammad Ali; Aminfar, Mohammad H.

2012-03-01

A set of parametric stress analyses was carried out for two-planar tubular DKT-joints under different axial loading conditions. The analysis results were used to present general remarks on the effects of the geometrical parameters on stress concentration factors (SCFs) at the inner saddle, outer saddle, and crown positions on the central brace. Based on results of finite element (FE) analysis and through nonlinear regression analysis, a new set of SCF parametric equations was established for fatigue design purposes. An assessment study of equations was conducted against the experimental data and original SCF database. The satisfaction of acceptance criteria proposed by the UK Department of Energy (UK DoE) was also checked. Results of parametric study showed that highly remarkable differences exist between the SCF values in a multi-planar DKT-joint and the corresponding SCFs in an equivalent uni-planar KT-joint having the same geometrical properties. It can be clearly concluded from this observation that using the equations proposed for uni-planar KT-connections to compute the SCFs in multi-planar DKT-joints will lead to either considerably under-predicting or over-predicting results. Hence, it is necessary to develop SCF formulae specially designed for multi-planar DKT-joints. Good results of equation assessment according to UK DoE acceptance criteria, high values of correlation coefficients, and the satisfactory agreement between the predictions of the proposed equations and the experimental data guarantee the accuracy of the equations. Therefore, the developed equations can be reliably used for fatigue design of offshore structures.

c-Kit Expression is Rate-Limiting for Stem Cell Factor-Mediated Disease Progression in Adenoid Cystic Carcinoma of the Salivary Glands

Directory of Open Access Journals (Sweden)

Janyaporn Phuchareon

2014-10-01

Full Text Available Adenoid cystic carcinoma (ACC is an aggressive malignant neoplasm of the salivary glands in which c-Kit is overexpressed and activated, although the mechanism for this is as yet unclear. We analyzed 27 sporadic ACC tumor specimens to examine the biologic and clinical significance of c-Kit activation. Mutational analysis revealed expression of wild-type c-Kit in all, eliminating gene mutation as a cause of activation. Because stem cell factor (SCF is c-Kit's sole ligand, we analyzed its expression in the tumor cells and their environment. Immunohistochemistry revealed its presence in c-Kit–positive tumor cells, suggesting an activation of autocrine signaling. We observed a significant induction of ERK1/2 in the cells. SCF staining was also found in other types of non-cancerous cells adjacent to tumors within salivary glands, including stromal fibroblasts, neutrophils, peripheral nerve, skeletal muscle, vascular endothelial cells, mucous acinar cells, and intercalated ducts. Quantitative PCR showed that the top quartile of c-Kit mRNA expression distinguished ACCs from normal salivary tissues and was cross-correlated with short-term poor prognosis. Expression levels of SCF and c-Kit were highly correlated in the cases with perineural invasion. These observations suggest that c-Kit is potentially activated by receptor dimerization upon stimulation by SCF in ACC, and that the highest quartile of c-Kit mRNA expression could be a predictor of poor prognosis. Our findings may support an avenue for c-Kit-targeted therapy to improve disease control in ACC patients harboring the top quartile of c-Kit mRNA expression.

Spatially Resolved Temperature and Water Vapor Concentration Distributions in Supersonic Combustion Facilities by TDLAT

Science.gov (United States)

Busa, K. M.; McDaniel J. C.; Diskin, G. S.; DePiro, M. J.; Capriotti, D. P.; Gaffney, R. L.

2012-01-01

Detailed knowledge of the internal structure of high-enthalpy flows can provide valuable insight to the performance of scramjet combustors. Tunable Diode Laser Absorption Spectroscopy (TDLAS) is often employed to measure temperature and species concentration. However, TDLAS is a path-integrated line-of-sight (LOS) measurement, and thus does not produce spatially resolved distributions. Tunable Diode Laser Absorption Tomography (TDLAT) is a non-intrusive measurement technique for determining two-dimensional spatially resolved distributions of temperature and species concentration in high enthalpy flows. TDLAT combines TDLAS with tomographic image reconstruction. More than 2500 separate line-of-sight TDLAS measurements are analyzed in order to produce highly resolved temperature and species concentration distributions. Measurements have been collected at the University of Virginia's Supersonic Combustion Facility (UVaSCF) as well as at the NASA Langley Direct-Connect Supersonic Combustion Test Facility (DCSCTF). Due to the UVaSCF s unique electrical heating and ability for vitiate addition, measurements collected at the UVaSCF are presented as a calibration of the technique. Measurements collected at the DCSCTF required significant modifications to system hardware and software designs due to its larger measurement area and shorter test duration. Tomographic temperature and water vapor concentration distributions are presented from experimentation on the UVaSCF operating at a high temperature non-reacting case for water vitiation level of 12%. Initial LOS measurements from the NASA Langley DCSCTF operating at an equivalence ratio of 0.5 are also presented. Results show the capability of TDLAT to adapt to several experimental setups and test parameters.

Hoe Creek II field experiment on underground coal gasification, preliminary results

Energy Technology Data Exchange (ETDEWEB)

Aiman, W.R.; Thorsness, C.B.; Hill, R.W.; Rozsa, R.B.; Cena, R.; Gregg, D.W.; Stephens, D.R.

1978-02-27

A second in-situ coal gasification experiment was performed by Lawrence Livermore Laboratory at Hoe Creek in Wyoming. The Linked Vertical Wells scheme for in-situ coal gasification was used. The experiment took 100 days for air flow testing, reverse combustion linking, forward combustion gasification, and post-burn steam flow. Air was used for gasification except for a 2-day test with oxygen and steam. Reverse combustion linking took 14 days at 1.6 m/day. Air requirements for linking were 0.398 Mgmol per meter of link assuming a single direct link. The coal pyrolysed during linking was 17 m/sup 3/, which corresponds to a single link 1.0 m in diameter. There was, however, strong evidence of at least two linkage paths. The detected links stayed below the 3 m level in the 7.6 coal seam; however, the product flow from the forward-burn gasification probably followed the coal-overburden interface not the reverse burn channels at the 3 m level. A total of 232 Mgmols (194 Mscf) of gas was produced with heating value above 125 kJ/mol (140 Btu/scf) for significant time periods and an average of 96 kJ/mol (108 Btu/scf). During the oxygen-steam test the heating value was above 270 kJ/gmol (300 Btu/scf) twice and averaged 235 kJ/gmol (265 Btu/scf). The coal recovery was 1310 m/sup 3/ (1950 ton). Gasification was terminated because of decreasing product quality not because of burn through. The product quality decreased because of increasing underground heat loss.

Predisposing Effect of Elbow Alignment on the Elbow Fracture Type in Children.

Science.gov (United States)

Kang, Seungcheol; Park, Soo-Sung

2015-08-01

Under the hypothesis that the elbow alignment, namely the carrying angle, could predispose individuals to a specific type of pediatric elbow fracture after a fall onto an outstretched arm, we investigated the relationship between radiographic carrying angle and elbow fracture type in children. Retrospective case-control study. Level I pediatric trauma center. We reviewed 374 children who were diagnosed with supracondylar fracture (SCF, n = 208), lateral condylar fracture (LCF, n = 132), and radial neck fracture (RNF, n = 34). The association between the radiographic carrying angle and the fracture type was investigated. To adjust for bias, 2 statistical methods were used: multivariate analysis using a baseline-category logistic model and a case-matching method using propensity score analysis. In the multivariate analysis, with SCF patients set as the baseline category, a more valgus-deviated elbow (increased carrying angle, P = 0.011) predisposed individuals to RNF, whereas a more varus-deviated elbow (decreased carrying angle, P predisposed them to LCF. In the case-matched analysis, there were also significant differences in carrying angles between RNF and case-matched SCF patients (14.3 vs. 11.4 degrees, P = 0.013) and between LCF and case-matched SCF patients (7.7 vs. 11.7 degrees, P fall onto an outstretched elbow, could be a predisposing factor for specific types of pediatric elbow fracture. The results provide the additional information about the injury mechanisms of pediatric elbow fracture and may deepen our understanding of the fractures. Prognostic Level III. See Instructions for Authors for a complete description of levels of evidence.

(Ln-bar, g)-spaces. General relativity over V4-bar - spaces

International Nuclear Information System (INIS)

Manoff, S.; Kolarov, A.; Dimitrov, B.

1998-01-01

The results from the considerations of differentiable manifolds with contravariant and covariant affine connections and metrics are specialized for the case of (L n bar, g)-spaces with metric transport (∇ ξ g = 0 for all ξ is T (M), g ij;k = 0 and f j i = e φ · g j i (the s.c. (pseudo)Riemannian spaces with contravariant and covariant symmetric affine connections). Einstein's theory of gravitation is considered in (pseudo)Riemannian spaces with different (not only by sign) contravariant and covariant affine connections ((V n bar)-spaces, n = 4). The Euler-Lagrange equations and the corresponding energy-momentum tensors (EMT-s) are obtained and compared with the Einstein equations and the EMT-s in V 4 -spaces. The geodesic and autoparallel equations in V 4 bar -spaces are found as different equations in contrast to the case of V 4 -spaces

Space-time interdependence: evidence against asymmetric mapping between time and space.

Science.gov (United States)

Cai, Zhenguang G; Connell, Louise

2015-03-01

Time and space are intimately related, but what is the real nature of this relationship? Is time mapped metaphorically onto space such that effects are always asymmetric (i.e., space affects time more than time affects space)? Or do the two domains share a common representational format and have the ability to influence each other in a flexible manner (i.e., time can sometimes affect space more than vice versa)? In three experiments, we examined whether spatial representations from haptic perception, a modality of relatively low spatial acuity, would lead the effect of time on space to be substantially stronger than the effect of space on time. Participants touched (but could not see) physical sticks while listening to an auditory note, and then reproduced either the length of the stick or the duration of the note. Judgements of length were affected by concurrent stimulus duration, but not vice versa. When participants were allowed to see as well as touch the sticks, however, the higher acuity of visuohaptic perception caused the effects to converge so length and duration influenced each other to a similar extent. These findings run counter to the spatial metaphor account of time, and rather support the spatial representation account in which time and space share a common representational format and the directionality of space-time interaction depends on the perceptual acuity of the modality used to perceive space. Copyright © 2014 Elsevier B.V. All rights reserved.

Integrability and symmetric spaces. II- The coset spaces

International Nuclear Information System (INIS)

Ferreira, L.A.

1987-01-01

It shown that a sufficient condition for a model describing the motion of a particle on a coset space to possess a fundamental Poisson bracket relation, and consequently charges involution, is that it must be a symmetric space. The conditions a hamiltonian, or any function of the canonical variables, has to satisfy in order to commute with these charges are studied. It is shown that, for the case of non compact symmetric space, these conditions lead to an algebraic structure which plays an important role in the construction of conserved quantities. (author) [pt

Space radiation effects

International Nuclear Information System (INIS)

Li Shiqing; Yan Heping

1995-01-01

The authors briefly discusses the radiation environment in near-earth space and it's influences on material, and electronic devices using in space airship, also, the research developments in space radiation effects are introduced

Space vehicle chassis

Science.gov (United States)

Judd, Stephen; Dallmann, Nicholas; Seitz, Daniel; Martinez, John; Storms, Steven; Kestell, Gayle

2017-07-18

A modular space vehicle chassis may facilitate convenient access to internal components of the space vehicle. Each module may be removable from the others such that each module may be worked on individually. Multiple panels of at least one of the modules may swing open or otherwise be removable, exposing large portions of the internal components of the space vehicle. Such chassis architectures may reduce the time required for and difficulty of performing maintenance or modifications, may allow multiple space vehicles to take advantage of a common chassis design, and may further allow for highly customizable space vehicles.

Quasi-uniform Space

OpenAIRE

Coghetto Roland

2016-01-01

In this article, using mostly Pervin [9], Kunzi [6], [8], [7], Williams [11] and Bourbaki [3] works, we formalize in Mizar [2] the notions of quasiuniform space, semi-uniform space and locally uniform space.

A Space Apart

Directory of Open Access Journals (Sweden)

Lisa Lynch

2017-01-01

Full Text Available This article examines how the preschool child is enabled to withdraw from the peer group and create a private, individual space within the institutional collective. The question under consideration is, “What factors are necessary to enable a child to create and maintain a withdrawal space in the preschool?” Data were collected through ethnographic fieldwork at two Montessori schools in the south of Sweden. Analysis of the results reveals that a child is enabled through a combination of two elements: a level of opportunity to create a space and a level of defense of a created space. These two factors are dependent on the teachers’ ability to correctly identify space creation, alongside their desire for the child’s space creation effort to be successful.

WORKSHOP: Inner space - outer space

International Nuclear Information System (INIS)

Anon.

1984-01-01

During the first week of May, the Fermilab theoretical astrophysics group hosted an international conference on science at the interface of particle physics and cosmology/astrophysics. The conference (Inner Space-Outer Space) was attended by a very diverse group of more than 200 physical scientists, including astronomers, astrophysicists, cosmologists, low-temperature physicists, and elementary particle theorists and experimentalists. The common interest which brought this diverse group to gether is the connection between physics on the smallest scale probed by man - the realm of elementary particle physics - and physics on the largest scale imaginable (the entire Universe) - the realm of cosmology

WORKSHOP: Inner space - outer space

Energy Technology Data Exchange (ETDEWEB)

Anon.

1984-09-15

During the first week of May, the Fermilab theoretical astrophysics group hosted an international conference on science at the interface of particle physics and cosmology/astrophysics. The conference (Inner Space-Outer Space) was attended by a very diverse group of more than 200 physical scientists, including astronomers, astrophysicists, cosmologists, low-temperature physicists, and elementary particle theorists and experimentalists. The common interest which brought this diverse group to gether is the connection between physics on the smallest scale probed by man - the realm of elementary particle physics - and physics on the largest scale imaginable (the entire Universe) - the realm of cosmology.

Scandium fluorides

International Nuclear Information System (INIS)

Melnikov, P.; Nalin, M.; Messaddeq, Y.

1997-01-01

A new modification of scandium fluoride has been synthesised. The compound is deficient in fluorine, with the composition ScF 2.76 . It belongs to the tetragonal system, lattice parameters being a=3.792 and c=6.740 A and may be obtained at low temperatures by the decomposition of the precursor NH 4 ScF 4 . The reaction is topotactic, tetragonal parameters of the precursor are a=4.021 and c=6.744 A. Structural relationships with various fluorides and ammonium aminofluorides are discussed. This synthesis route with IR-assisted decomposition should be considered as a soft-chemistry approach. (orig.)

Measurement of supercritical CO2 critical flow: Effects of L/D and surface roughness

International Nuclear Information System (INIS)

Mignot, Guillaume P.; Anderson, Mark H.; Corradini, Michael L.

2009-01-01

The use of supercritical fluids (SCF) has been proposed for advanced power systems including advanced sodium reactors, since these fluids can provide higher thermal efficiency and reduced system component size. Data characterizing the behavior of SCF during a blowdown or rapid depressurization are essential to validate certain aspects of safety analyses. This paper describes the results of an experiment to measure the critical mass flux for numerous stagnation thermodynamic conditions, geometry and outlet tube roughness. It was found that a 1D homogeneous equilibrium model (HEM) was capable of relatively good (less than 10% error) prediction of the test data.

Novel store–carry–forward scheme for message dissemination in vehicular ad-hoc networks

Directory of Open Access Journals (Sweden)

Truc D.T. Nguyen

2017-12-01

Full Text Available To improve traffic safety in intelligent transportation systems, vehicles formed by vehicular ad-hoc networks (VANETs conventionally disseminate warning messages to their nearby vehicles as soon as a dangerous situation occurs. In this paper, we propose a novel scheme employing a novel story–carry–forward (SCF mechanism to tackle the network partition and broadcast storm problems, which are two major challenges in VANETs. The experimental result in the Veins simulation framework shows that the proposed SCF scheme significantly mitigates broadcast storms relative to other schemes, and maintains good coverage across various traffic densities.

Space and Atmospheric Environments: From Low Earth Orbits to Deep Space

Science.gov (United States)

Barth, Janet L.

2003-01-01

Natural space and atmospheric environments pose a difficult challenge for designers of technological systems in space. The deleterious effects of environment interactions with the systems include degradation of materials, thermal changes, contamination, excitation, spacecraft glow, charging, radiation damage, and induced background interference. Design accommodations must be realistic with minimum impact on performance while maintaining a balance between cost and risk. The goal of applied research in space environments and effects is to limit environmental impacts at low cost relative to spacecraft cost and to infuse enabling and commercial off-the-shelf technologies into space programs. The need to perform applied research to understand the space environment in a practical sense and to develop methods to mitigate these environment effects is frequently underestimated by space agencies and industry. Applied science research in this area is critical because the complexity of spacecraft systems is increasing, and they are exposed simultaneously to a multitude of space environments.

NSs Virulence Factor of Rift Valley Fever Virus Engages the F-Box Proteins FBXW11 and β-TRCP1 To Degrade the Antiviral Protein Kinase PKR.

Science.gov (United States)

Kainulainen, Markus; Lau, Simone; Samuel, Charles E; Hornung, Veit; Weber, Friedemann

2016-07-01

Rift Valley fever virus (RVFV, family Bunyaviridae, genus Phlebovirus) is a relevant pathogen of both humans and livestock in Africa. The nonstructural protein NSs is a major virulence factor known to suppress the type I interferon (IFN) response by inhibiting host cell transcription and by proteasomal degradation of a major antiviral IFN effector, the translation-inhibiting protein kinase PKR. Here, we identified components of the modular SCF (Skp1, Cul1, F-box protein)-type E3 ubiquitin ligases as mediators of PKR destruction by NSs. Small interfering RNAs (siRNAs) against the conserved SCF subunit Skp1 protected PKR from NSs-mediated degradation. Consequently, RVFV replication was severely reduced in Skp1-depleted cells when PKR was present. SCF complexes have a variable F-box protein subunit that determines substrate specificity for ubiquitination. We performed an siRNA screen for all (about 70) human F-box proteins and found FBXW11 to be involved in PKR degradation. The partial stabilization of PKR by FBXW11 depletion upregulated PKR autophosphorylation and phosphorylation of the PKR substrate eIF2α and caused a shutoff of host cell protein synthesis in RVFV-infected cells. To maximally protect PKR from the action of NSs, knockdown of structurally and functionally related FBXW1 (also known as β-TRCP1), in addition to FBXW11 deletion, was necessary. Consequently, NSs was found to interact with both FBXW11 and β-TRCP1. Thus, NSs eliminates the antiviral kinase PKR by recruitment of SCF-type E3 ubiquitin ligases containing FBXW11 and β-TRCP1 as substrate recognition subunits. This antagonism of PKR by NSs is essential for efficient RVFV replication in mammalian cells. Rift Valley fever virus is a pathogen of humans and animals that has the potential to spread from Africa and the Arabian Peninsula to other regions. A major virulence mechanism is the proteasomal degradation of the antiviral kinase PKR by the viral protein NSs. Here, we demonstrate that NSs

Quasi-uniform Space

Directory of Open Access Journals (Sweden)

Coghetto Roland

2016-09-01

Full Text Available In this article, using mostly Pervin [9], Kunzi [6], [8], [7], Williams [11] and Bourbaki [3] works, we formalize in Mizar [2] the notions of quasiuniform space, semi-uniform space and locally uniform space.

Coupling gravity, electromagnetism and space-time for space propulsion breakthroughs

Science.gov (United States)

Millis, Marc G.

1994-01-01

spaceflight would be revolutionized if it were possible to propel a spacecraft without rockets using the coupling between gravity, electromagnetism, and space-time (hence called 'space coupling propulsion'). New theories and observations about the properties of space are emerging which offer new approaches to consider this breakthrough possibility. To guide the search, evaluation, and application of these emerging possibilities, a variety of hypothetical space coupling propulsion mechanisms are presented to highlight the issues that would have to be satisfied to enable such breakthroughs. A brief introduction of the emerging opportunities is also presented.

Countable Fuzzy Topological Space and Countable Fuzzy Topological Vector Space

Directory of Open Access Journals (Sweden)

Apu Kumar Saha

2015-06-01

Full Text Available This paper deals with countable fuzzy topological spaces, a generalization of the notion of fuzzy topological spaces. A collection of fuzzy sets F on a universe X forms a countable fuzzy topology if in the definition of a fuzzy topology, the condition of arbitrary supremum is relaxed to countable supremum. In this generalized fuzzy structure, the continuity of fuzzy functions and some other related properties are studied. Also the class of countable fuzzy topological vector spaces as a generalization of the class of fuzzy topological vector spaces has been introduced and investigated.

Space Product Development: Bringing the Benefits of Space Down to Earth

Science.gov (United States)

Allen, Rosalie W.; Tygielski, Andrew; Gabris, Edward A.

1997-01-01

The newly developed microgravity Research Program Office was created to consolidate and integrate NASA's microgravity research efforts, comprised of the microgravity Science and Applications Program and Space Product Development Program. This resulted in an integrated agency program serving the science and industrial research communities, providing leadership, management, direction and overview of all agency microgravity research activities. This paper provides an overview of NASA's microgravity Research Program, with particular emphasis on the Space Product Development Program activities, the potential economic impact and quality of life improvements resulting from this research, and future plans for commercial microgravity research in space. The goal of the Space Product Development Program is to facilitate the use of space for commercial products and services. The unique attributes of space are exploited to conduct industry driven research in the areas of crystallography, bio-systems, agriculture, electronic and non-electronic materials. Industry uses the knowledge gained from focused space research to create new products and processes, to gain economic competitive advantages, to create new jobs and improve the quality of life on earth. The objectives of the program are implemented through NASA's Commercial Space Centers, non-profit consortia of industry, academia and government, that provide the mechanism for communication and technical expert exchange between NASA and industry. Over 200 commercial research activities have been conducted by the Commercial Space Centers and their industrial affiliates over the last four and one-half years during Space Shuttle mission, as well as sounding rocket flights. The results of this research will have a significant impact on competitive products, jobs and quality of life improvements.

Clausewitz on Space: Developing Military Space Theory Through a Comparative Analysis

National Research Council Canada - National Science Library

Streland, Arnold

1999-01-01

.... Our commercial space industry has become a huge economic center of gravity for our nation. Our enemies are discovering the benefits of space by developing their own systems and purchasing commercial space services...

Topological Vector Space-Valued Cone Metric Spaces and Fixed Point Theorems

Directory of Open Access Journals (Sweden)

Radenović Stojan

2010-01-01

Full Text Available We develop the theory of topological vector space valued cone metric spaces with nonnormal cones. We prove three general fixed point results in these spaces and deduce as corollaries several extensions of theorems about fixed points and common fixed points, known from the theory of (normed-valued cone metric spaces. Examples are given to distinguish our results from the known ones.

On birecurrent spaces

International Nuclear Information System (INIS)

Rahman, M.S.

1991-10-01

A birecurrent space is defined with its classification and studied with involvement of Einstein, conformally flat, conformally symmetric and conformally recurrent spaces. A necessary and sufficient condition that a birecurrent space be recurrent is found. (author). 6 refs

Weighted Composition Operators from Hardy Spaces into Logarithmic Bloch Spaces

Directory of Open Access Journals (Sweden)

Flavia Colonna

2012-01-01

Full Text Available The logarithmic Bloch space Blog⁡ is the Banach space of analytic functions on the open unit disk 𝔻 whose elements f satisfy the condition ∥f∥=sup⁡z∈𝔻(1-|z|2log⁡  (2/(1-|z|2|f'(z|<∞. In this work we characterize the bounded and the compact weighted composition operators from the Hardy space Hp (with 1≤p≤∞ into the logarithmic Bloch space. We also provide boundedness and compactness criteria for the weighted composition operator mapping Hp into the little logarithmic Bloch space defined as the subspace of Blog⁡ consisting of the functions f such that lim⁡|z|→1(1-|z|2log⁡  (2/(1-|z|2|f'(z|=0.

Space Rescue

Science.gov (United States)

Muratore, John F.

2007-01-01

Space Rescue has been a topic of speculation for a wide community of people for decades. Astronauts, aerospace engineers, diplomats, medical and rescue professionals, inventors and science fiction writers have all speculated on this problem. Martin Caidin's 1964 novel Marooned dealt with the problems of rescuing a crew stranded in low earth orbit. Legend at the Johnson Space Center says that Caidin's portrayal of a Russian attempt to save the American crew played a pivotal role in convincing the Russians to join the real joint Apollo-Soyuz mission. Space Rescue has been a staple in science fiction television and movies portrayed in programs such as Star Trek, Stargate-SG1 and Space 1999 and movies such as Mission To Mars and Red Planet. As dramatic and as difficult as rescue appears in fictional accounts, in the real world it has even greater drama and greater difficulty. Space rescue is still in its infancy as a discipline and the purpose of this chapter is to describe the issues associated with space rescue and the work done so far in this field. For the purposes of this chapter, the term space rescue will refer to any system which allows for rescue or escape of personnel from situations which endanger human life in a spaceflight operation. This will span the period from crew ingress prior to flight through crew egress postlanding. For the purposes of this chapter, the term primary system will refer to the spacecraft system that a crew is either attempting to escape from or from which an attempt is being made to rescue the crew.

public spaces

Directory of Open Access Journals (Sweden)

Elena Grigoryeva

2013-01-01

Full Text Available The topic of this issue is PUBLIC SPACES. It is familiar and clear to every citizen. The streets and courtyards as childhood experiences remain with us forever. And these are the places where we come with our parents at weekends, where we meet friends, where we have dates and where we already come for a walk with our children.The history of public spaces is long and captivating. It was the main city squares where the most important events took place in history. The Agoras of Ancient Greece and the Roman Forums, the squares of Vatican, Paris and London, Moscow and Saint Petersburg… Greve, Trafalgar, Senate, Palace, Red, Bolotnaya – behind every name there is life of capitals, countries and nations.Public spaces, their shapes, image and development greatly influence the perception of the city as a whole. Both visitors and inhabitants can see in public spaces not only the visage but the heart, the soul and the mind of the city.Unfortunately, sometimes we have to prove the value of public spaces and defend them from those who consider them nothing but a blank space, nobody’s land destined for barbarous development.What should happen to make citizens perceive public spaces as their own and to make authorities consider development and maintenance of squares and parks their priority task against the  background of increasing competition between cities and the fight for human capital? Lately they more often say about “a high-quality human capital”. And now, when they say “the city should be liveable” they add “for all groups of citizens, including the creative class”.

q-deformed Minkowski space

International Nuclear Information System (INIS)

Ogievetsky, O.; Pillin, M.; Schmidke, W.B.; Wess, J.; Zumino, B.

1993-01-01

In this lecture I discuss the algebraic structure of a q-deformed four-vector space. It serves as a good example of quantizing Minkowski space. To give a physical interpretation of such a quantized Minkowski space we construct the Hilbert space representation and find that the relevant time and space operators have a discrete spectrum. Thus the q-deformed Minkowski space has a lattice structure. Nevertheless this lattice structure is compatible with the operation of q-deformed Lorentz transformations. The generators of the q-deformed Lorentz group can be represented as linear operators in the same Hilbert space. (orig.)

Space Guiding Us

Science.gov (United States)

Primikiri, Athina

2016-04-01

Taking into consideration the fact that general education provides the passport for a successful career the charting of Space consists of a constructive instrument available to every single teacher. Activities touching directly upon Space comprise a source of inspiration that encourages pupils to get acquainted with natural sciences and technology while consolidating their cross-curriculum knowledge. The applications and endeavors arising out of Space play a vital role for the further development and growth of our societies. Moreover, the prosperity of people is inextricably bound up with the implementation of Space policies adapted to different sectors such as the Environment, the phenomenon of climate change, matters affecting public or private safety, humanitarian aid and other technological issues. Therefore, the thorough analysis of Space endows us with insights about new products and innovative forms of industrial collaboration. As a teacher, I have consciously chosen to utilize the topic of Space in class as an instructive tool during the last 4 years. The lure of Space combined with the fascination provided by Space flights contributes to the enrichment of children's knowledge in the field of STEM. Space consists of the perfect cross-curriculum tool for the teaching of distinct subjects such as History, Geography, Science, Environment, Literature, Music, Religion and Physical Education. Following the Curriculum for pupils aged 9-10 I opted to teach the topic of Space under the title 'Space Guiding Us' as well as its subunits: • International Space Station • Cassini/Huygens, Mission to Titan • Rosetta & Philae • European Union and Space • Mission X: Train like an Astronaut The main purpose of choosing the module of 'Space' is to stimulate the scientific and critical thought of the pupils, to foster the co-operative spirit among them and to make them aware of how the application of Science affects their everyday lives. Aims • To incite pupils

Interactive Space(s) -- the CTSG: bridging the real and virtual

NARCIS (Netherlands)

Eliëns, A.P.W.; Mao, W.; Vermeersch, L

2010-01-01

In this paper, ideas will be presented how to realize games or playful activities in interactive space(s), having a real (spatial) component as well as a representation in virtual 2D or 3D space, by means of web pages and/or online games. Apart from general design criteria, the paper discusses a

The Cauchy problem for space-time monopole equations in Sobolev spaces

Science.gov (United States)

Huh, Hyungjin; Yim, Jihyun

2018-04-01

We consider the initial value problem of space-time monopole equations in one space dimension with initial data in Sobolev space Hs. Observing null structures of the system, we prove local well-posedness in almost critical space. Unconditional uniqueness and global existence are proved for s ≥ 0. Moreover, we show that the H1 Sobolev norm grows at a rate of at most c exp(ct2).

A Foothold in Space

Institute of Scientific and Technical Information of China (English)

YAO BIN

2011-01-01

With the successful launch of Tiangong-I (Heavenly Palace -I)unmanned module on September 29,China took a significant step forward in realizing its ambitions in space.China's manned space program consists of three steps.The first step,to send an astronaut into space,was achieved in 2003.The second step,to realize multi-person space flight for extended periods of time,has been fulfilled twice.During China's third manned space flight in 2008,Chinese astronauts walked in space.

Experimental and theoretical study of 2,6-difluorophenylnitrene, its radical cation, and their rearrangement products in argon matrices

OpenAIRE

Carra, Claudio; Nussbaum, Rafael; Bally, Thomas

2006-01-01

2,6-Difluorophenylnitrene was reinvestigated both experimentally, in Ar matrices at 10 K, and computationally, by DFT and CASSCF/CASPT2 calculations. Almost-pure samples of both neutral rearrangement products (the bicyclic azirine and the cyclic ketenimine) of a phenylnitrene were prepared and characterized for the first time. These samples were then subjected to X-irradiation in the presence of CH₂Cl₂ as an electron scavenger, which led to ionization of the neutral intermediates. Thereby, it...

(Electronic structure and reactivities of transition metal clusters)

Energy Technology Data Exchange (ETDEWEB)

1992-01-01

The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

Charge distributions in transverse coordinate space and in impact parameter space

Energy Technology Data Exchange (ETDEWEB)

Hwang, Dae Sung [Department of Physics, Sejong University, Seoul 143-747 (Korea, Republic of)], E-mail: dshwang@slac.stanford.edu; Kim, Dong Soo [Department of Physics, Kangnung National University, Kangnung 210-702 (Korea, Republic of); Kim, Jonghyun [Department of Physics, Sejong University, Seoul 143-747 (Korea, Republic of)

2008-11-27

We study the charge distributions of the valence quarks inside nucleon in the transverse coordinate space, which is conjugate to the transverse momentum space. We compare the results with the charge distributions in the impact parameter space.

Charge distributions in transverse coordinate space and in impact parameter space

OpenAIRE

Hwang, Dae Sung; Kim, Dong Soo; Kim, Jonghyun

2008-01-01

We study the charge distributions of the valence quarks inside nucleon in the transverse coordinate space, which is conjugate to the transverse momentum space. We compare the results with the charge distributions in the impact parameter space.

Space Elevators: Building a Permanent Bridge for Space Exploration and Economic Development

Science.gov (United States)

Smitherman, David V., Jr.; Howell, Joe T. (Technical Monitor)

2000-01-01

A space elevator is a physical connection from the surface of the Earth to a geo-stationary orbit above the Earth approximately 35,786 km in altitude. Its center of mass is at the geo-stationary point such that it has a 24-hour orbit, and stays over the same point above the equator as the Earth rotates on its axis. The structure is utilized as a transportation and utility system for moving payloads, power, and gases between the surface of the Earth and space. It makes the physical connection from Earth to space in the same way a bridge connects two cities across a body of' water. The space elevator may be an important concept for the future development of space in the latter part of the 21th century. It has the potential to provide mass-transportation to space in the same way highways, railroads, power lines, and pipelines provide mass-transportation across the Earth's surface. The low energy requirements for moving payloads up and down the elevator make it one of only a few concepts that has the potential of lowering the cost to orbit to less than $10 per kilogram. This paper will summarize the findings from a 1999 NASA workshop on Space Elevators held at the NASA Marshall Space Flight Center (MSFC). The workshop was sponsored by the Advanced Projects Office in the Flight Projects Directorate at MSFC, and was organized in cooperation with the Advanced Space Transportation Program at MSFC and the Advanced Concepts Office in the Office of Space Flight at NASA Headquarters. New concepts will be examined for space elevator construction and a number of issues will be discussed that has helped to bring the space elevator concept out of the realm of science fiction and into the realm of possibility. In conclusion, it appears that the space elevator concept may well he possible in the latter part of the 21st century if proper planning and technology development is emphasized to resolve key issues in the development of this advanced space infrastructure concept.

INFORMATION SPACE– EDUCATIONAL SPACE

Directory of Open Access Journals (Sweden)

Monica LIA

2015-11-01

Full Text Available This paper has set the objective of researching how education is influenced by the information society. The first step was to define more precisely the information space. The second step was to identify how information space intersects with the family space and institutional space educational levels represented by pre-school / school and pre-university (kindergarten, at elementary / middle school / high school. Interrelationship between the above mentioned areas was another objective of the research. All these elements have been investigated through the original intention to identify how the information space can become an educational tool to support the family space, education and institutional space. Also, the aim of this research is to offer some solutions in this regard. Often the educational efforts appear to be blocked by the existence of this space. But this paper demonstrates that Informational space can be an enemy of the educational system or can support systems if we knew the internal structure and mechanisms. We can make the Informational Space to work in order to accomplish the educational scope.

Cyber space bullying

Directory of Open Access Journals (Sweden)

Popović-Ćitić Branislava

2009-01-01

Full Text Available Cyber space bullying is a relatively new phenomenon that has received increased attention by scientists, researchers and practitioners in recent years. It is usually defined as an intentionally and repeatedly expression of aggression towards other people through information and communication technologies. Cyber space bullying is characterized by all the primary characteristics of traditional bullying and some specifics ones that clearly differ it from other forms of bullying. In addition to the analysis of characteristics and specifics of cyber space bullying, the paper describes the basic forms of cyber space bullying (flaming, harassment, denigration, impersonation, outing, trickery, exclusion, stalking and happy slapping, as well as, the types of cyber space bullies (vengeful angel, power-hungry, revenge of the nerd, mean girls and inadvertent. The main goal of this paper is to provide initial theoretical guidelines for designing future empirical research on the complex phenomenon of cyber space bullying.

Space 2000 Symposium

Science.gov (United States)

1999-01-01

The purpose of the Space 2000 Symposium is to present the creativity and achievements of key figures of the 20th century. It offers a retrospective discussion on space exploration. It considers the future of the enterprise, and the legacy that will be left for future generations. The symposium includes panel discussions, smaller session meetings with some panelists, exhibits, and displays. The first session entitled "From Science Fiction to Science Facts" commences after a brief overview of the symposium. The panel discussions include talks on space exploration over many decades, and the missions of the millennium to search for life on Mars. The second session, "Risks and Rewards of Human Space Exploration," focuses on the training and health risks that astronauts face on their exploratory mission to space. Session three, "Messages and Messengers Informing and Inspire Space Exploration and the Public," focuses on the use of TV medium by educators and actors to inform and inspire a wide variety of audiences with adventures of space exploration. Session four, "The Legacy of Carl Sagan," discusses the influences made by Sagan to scientific research and the general public. In session five, "Space Exploration for a new Generation," two student speakers and the NASA Administrator Daniel S. Goldin address the group. Session six, "Destiny or Delusion? -- Humankind's Place in the Cosmos," ends the symposium with issues of space exploration and some thought provoking questions. Some of these issues and questions are: what will be the societal implications if we discover the origin of the universe, stars, or life; what will be the impact if scientists find clear evidence of life outside the domains of the Earth; should there be limits to what humans can or should learn; and what visionary steps should space-faring people take now for future generations.

Atoms for space

Energy Technology Data Exchange (ETDEWEB)

Buden, D.

1990-10-01

Nuclear technology offers many advantages in an expanded solar system space exploration program. These cover a range of possible applications such as power for spacecraft, lunar and planetary surfaces, and electric propulsion; rocket propulsion for lunar and Mars vehicles; space radiation protection; water and sewage treatment; space mining; process heat; medical isotopes; and self-luminous systems. In addition, space offers opportunities to perform scientific research and develop systems that can solve problems here on Earth. These might include fusion and antimatter research, using the Moon as a source of helium-3 fusion fuel, and manufacturing perfect fusion targets. In addition, nuclear technologies can be used to reduce risk and costs of the Space Exploration Initiative. 1 fig.

Atoms for space

International Nuclear Information System (INIS)

Buden, D.

1990-10-01

Nuclear technology offers many advantages in an expanded solar system space exploration program. These cover a range of possible applications such as power for spacecraft, lunar and planetary surfaces, and electric propulsion; rocket propulsion for lunar and Mars vehicles; space radiation protection; water and sewage treatment; space mining; process heat; medical isotopes; and self-luminous systems. In addition, space offers opportunities to perform scientific research and develop systems that can solve problems here on Earth. These might include fusion and antimatter research, using the Moon as a source of helium-3 fusion fuel, and manufacturing perfect fusion targets. In addition, nuclear technologies can be used to reduce risk and costs of the Space Exploration Initiative. 1 fig

Trends in space activities in 2014: The significance of the space activities of governments

Science.gov (United States)

Paikowsky, Deganit; Baram, Gil; Ben-Israel, Isaac

2016-01-01

This article addresses the principal events of 2014 in the field of space activities, and extrapolates from them the primary trends that can be identified in governmental space activities. In 2014, global space activities centered on two vectors. The first was geopolitical, and the second relates to the matrix between increasing commercial space activities and traditional governmental space activities. In light of these two vectors, the article outlines and analyzes trends of space exploration, human spaceflights, industry and technology, cooperation versus self-reliance, and space security and sustainability. It also reviews the space activities of the leading space-faring nations.

Comparison of urea space, deuterium oxide space and body composition in growing pigs

International Nuclear Information System (INIS)

Mitchell, A.D.; Steele, N.C.

1987-01-01

Urea and deuterium oxide (D 2 O) space were compared by simultaneous infusion into pigs weighing approximately 55 or 90 kg. Urea was cleared from the plasma pool more rapidly than D 2 O and appeared to equilibrate at a relative concentration which was lower than that of D 2 O. Consequently, urea and D 2 O space values were closest when extrapolated to zero time values. Correlations between urea space and D 2 O space were highest at 15 minutes post infusion (R2 = .75) or between urea space at 15 minutes and D 2 O at equilibrium (R2 = .86). Results of urea and D 2 O space measurements were compared with water, lipid and protein content of the carcass. Urea space at 15 minutes and D 2 O space at 35 minutes most closely approximated total body water while D 2 O space at 15 minutes was nearly equivalent to empty body water. Overall, D 2 O space at equilibrium had the highest correlations with carcass values of water, lipid and protein and appears to be preferable to urea space for estimating carcass composition in pigs

Sacred space, analytic space, the self, and god.

Science.gov (United States)

Rizzuto, Ana-María

2009-01-01

Parental figures influence the type of religious experiences a person may have. Clinical material from the analysis of a young woman documents the importance of having an actual sacred space in which one can be oneself in religious life and a psychoanalytic space during treatment to progressively experience oneself.

Management of outer space

Science.gov (United States)

Perek, Lubos

1993-10-01

Various aspects of space-environment management are discussed. Attention is called to the fact that, while space radio communications are already under an adequate management by the International Communications Union, the use of nuclear power sources is regulated by the recently adopted set of principles, and space debris will be discussed in the near future at the UN COPUOS, other aspects of management of outer space received little or no attention of the international community. These include the competency of crews and technical equipment of spacecraft launched by newcomers to space exploration; monitoring of locations and motions of space objects (now in national hands), with relevant data made accessible through a computer network; and the requirement to use space only for beneficial purposes and not for promoting narrow and debatable interests damaging the outer space environment and impeding on astronomical observations. It is suggested that some of these tasks would be best performed by an international space agency within the UN system of organizations.

Just in Time in Space or Space Based JIT

Science.gov (United States)

VanOrsdel, Kathleen G.

1995-01-01

Our satellite systems are mega-buck items. In today's cost conscious world, we need to reduce the overall costs of satellites if our space program is to survive. One way to accomplish this would be through on-orbit maintenance of parts on the orbiting craft. In order to accomplish maintenance at a low cost I advance the hypothesis of having parts and pieces (spares) waiting. Waiting in the sense of having something when you need it, or just-in-time. The JIT concept can actually be applied to space processes. Its definition has to be changed just enough to encompass the needs of space. Our space engineers tell us which parts and pieces the satellite systems might be needing once in orbit. These items are stored in space for the time of need and can be ready when they are needed -- or Space Based JIT. When a system has a problem, the repair facility is near by and through human or robotics intervention, it can be brought back into service. Through a JIT process, overall system costs could be reduced as standardization of parts is built into satellite systems to facilitate reduced numbers of parts being stored. Launch costs will be contained as fewer spare pieces need to be included in the launch vehicle and the space program will continue to thrive even in this era of reduced budgets. The concept of using an orbiting parts servicer and human or robotics maintenance/repair capabilities would extend satellite life-cycle and reduce system replacement launches. Reductions of this nature throughout the satellite program result in cost savings.

Wastes in space

International Nuclear Information System (INIS)

2011-01-01

As human space activities have created more wastes on low and high Earth orbits over the past 50 years than the solar system injected meteorites over billions of years, this report gives an overview of this problem. It identifies the origins of these space debris and wastes (launchers, combustion residues, exploitation wastes, out-of-use satellites, accidental explosions, accidental collisions, voluntary destructions, space erosion), and proposes a stock list of space wastes. Then, it distinguishes the situation for the different orbits: low Earth orbit or LEO (traffic, presence of the International Space Station), medium Earth orbits or MEO (traffic, operating satellites, wastes), geostationary Earth orbit or GEO (traffic, operating satellites, wastes). It also discusses wastes and bacteria present on the moon (due to Apollo missions or to crash tests). It evokes how space and nuclear industry is concerned, and discusses the re-entry issue (radioactive boomerang, metallic boomerang). It also indicates elements of international law

Flat-space singletons

International Nuclear Information System (INIS)

Fronsdal, C.

1987-01-01

Singletons exist, as particles and as local fields, only in 3+2 de Sitter space. Their kinematical properties make them natural candidates for constituents of massless fields, and perhaps for quarks. It is interesting to find out how to describe this type of compositeness in flat space. A theory of interacting singleton fields in de Sitter space is now available, and in this paper we study the flat-space limit of the Green's functions of that theory. The flat-space limit is an autonomous theory of Green's functions, but is not an operator field theory. The three-point function is calculated and its flat-space limit is found to reveal glimpses of a physical interpretation. Causal and spectral properties are in accord with the tenets of axiomatic field theory. The theory is a generalization of local field theory, in which photons appear as composite objects although the physical S matrix is the same as in conventional QED

Schur spaces and weighted spaces of type H

African Journals Online (AJOL)

We extend some results related to composition operators on Hv(G) to arbitrary linear operators on Hv0 (G) and Hv(G). We also give examples of rank-one operators on Hv(G) which cannot be approximated by composition operators. Keywords: Weighted Banach spaces of holomorphic functions, Schur spaces, weakly ...

Space plasma observations - observations of solar-terrestrial environment. Space Weather Forecast

International Nuclear Information System (INIS)

Sagawa, Eiichi; Akioka, Maki

1996-01-01

The space environment becomes more important than ever before because of the expansion in the utilization of near-earth space and the increase in the vulnerability of large scale systems on the ground such as electrical power grids. The concept of the Space Weather Forecast program emerged from the accumulation of understanding on basic physical processes and from our activities as one of the regional warning centers of the international network of space environment services. (author)

Kinematic space and wormholes

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jian-dong [TianQin Research Center for Gravitational Physics, Sun Yat-sen University, Zhuhai 519082, Guangdong (China); Chen, Bin [Department of Physics and State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, 5 Yiheyuan Rd, Beijing 100871 (China); Center for High Energy Physics, Peking University, 5 Yiheyuan Rd, Beijing 100871 (China)

2017-01-23

The kinematic space could play a key role in constructing the bulk geometry from dual CFT. In this paper, we study the kinematic space from geometric points of view, without resorting to differential entropy. We find that the kinematic space could be intrinsically defined in the embedding space. For each oriented geodesic in the Poincaré disk, there is a corresponding point in the kinematic space. This point is the tip of the causal diamond of the disk whose intersection with the Poincaré disk determines the geodesic. In this geometric construction, the causal structure in the kinematic space can be seen clearly. Moreover, we find that every transformation in the SL(2,ℝ) leads to a geodesic in the kinematic space. In particular, for a hyperbolic transformation defining a BTZ black hole, it is a timelike geodesic in the kinematic space. We show that the horizon length of the static BTZ black hole could be computed by the geodesic length of corresponding points in the kinematic space. Furthermore, we discuss the fundamental regions in the kinematic space for the BTZ blackhole and multi-boundary wormholes.

Forecasting Space Weather Hazards for Astronauts in Deep Space

Science.gov (United States)

Martens, P. C.

2018-02-01

Deep Space Gateway provides a unique platform to develop, calibrate, and test a space weather forecasting system for interplanetary travel in a real life setting. We will discuss requirements and design of such a system.

Space Bugz!

DEFF Research Database (Denmark)

Birke, Alexander; Schoenau-Fog, Henrik; Reng, Lars

2012-01-01

This paper presents Space Bugz! - a novel crowd game for large venues or cinemas that utilises the audience's smartphones as controllers for the game. This paper explains what crowd gaming is and describes how the approach used in Space Bugz! enables more advanced gameplay concepts and individual...... player control than current technologies allow. The gameplay of Space Bugz! is then explained along with the technical architecture of the game. After this, the iterative design process used to create the game is described together with future perspectives. The article concludes with links to a video...

Girls InSpace project: A new space physics outreach initiative.

Science.gov (United States)

Abe Pacini, A.; Tegbaru, D.; Max, A., Sr.

2017-12-01

We present here the concept and state-of-art of the new space physics youth education and outreach initiative called "Girls InSpace project". The project goal is to spread quality scientific information to underrepresented groups, motivate girls in STEM and promote gender equality in the Space Physics area. Initially, the "Girls InSpace project" will be available in two languages (Portuguese and English) aiming to reach out to the youth of Brazil, United States, Nigeria, South Africa, Ethiopia and Angola. Eventually, the material will be translated to French and Spanish, focusing on French-speaking countries in Africa and Latin America. The project spans a collection of four books about a group of young girls and their adventures (always related to the sky and simultaneously introducing earth and space science concepts). Ancillary content such as a webpage, mobile applications and lesson plans are also in development. The books were written by a Space Physicist PhD woman, illustrated by a Brazilian young artist and commented by senior female scientists, creating positive role models for the next generation of girls in STEM. The story lines were drawn around the selected topics of astronomy and space physics, introducing scientific information to the target readers (girls from 8-13 years old) and enhancing their curiosity and critical thinking. The books instill the readers to explore the available extra web-content (with images, videos, interviews with scientists, real space data, coding and deeper scientific information) and game apps (with Virtual Reality components and real space images). Moreover, for teachers K-12, a collection of lesson plans will be made available, aiming to facilitate scientific content discussed in the books and inside classroom environments. Gender bias in STEM reported earlier this year in Nature and based on a study of the American Geophysical Union's member database showed a competitive disadvantage for women in the Earth and Space

Perancangan Small Private Space Pada Interior Public Space Di Perpustakaan Universitas Kristen Petra Surabaya

OpenAIRE

Lucky Basuki, Holiman Chandra Yusita Kusumarini

2013-01-01

Lifestyle of modern people use some time to move out of residence (public space) makes the most of the private activities can not be fulfilled. It is an idea and the idea of creating a space that can meet the needs of the private in public spaces with small dimensions. Private space in the design of the library is housed in Petra Christian University Surabaya as space scope of small private space (minimal private space dimension). The creation of small private space in the interior of the lib...

Concept for an International Standard related to Space Weather Effects on Space Systems

Science.gov (United States)

Tobiska, W. Kent; Tomky, Alyssa

There is great interest in developing an international standard related to space weather in order to specify the tools and parameters needed for space systems operations. In particular, a standard is important for satellite operators who may not be familiar with space weather. In addition, there are others who participate in space systems operations that would also benefit from such a document. For example, the developers of software systems that provide LEO satellite orbit determination, radio communication availability for scintillation events (GEO-to-ground L and UHF bands), GPS uncertainties, and the radiation environment from ground-to-space for commercial space tourism. These groups require recent historical data, current epoch specification, and forecast of space weather events into their automated or manual systems. Other examples are national government agencies that rely on space weather data provided by their organizations such as those represented in the International Space Environment Service (ISES) group of 14 national agencies. Designers, manufacturers, and launchers of space systems require real-time, operational space weather parameters that can be measured, monitored, or built into automated systems. Thus, a broad scope for the document will provide a useful international standard product to a variety of engineering and science domains. The structure of the document should contain a well-defined scope, consensus space weather terms and definitions, and internationally accepted descriptions of the main elements of space weather, its sources, and its effects upon space systems. Appendices will be useful for describing expanded material such as guidelines on how to use the standard, how to obtain specific space weather parameters, and short but detailed descriptions such as when best to use some parameters and not others; appendices provide a path for easily updating the standard since the domain of space weather is rapidly changing with new advances

Elements of linear space

CERN Document Server

Amir-Moez, A R; Sneddon, I N

1962-01-01

Elements of Linear Space is a detailed treatment of the elements of linear spaces, including real spaces with no more than three dimensions and complex n-dimensional spaces. The geometry of conic sections and quadric surfaces is considered, along with algebraic structures, especially vector spaces and transformations. Problems drawn from various branches of geometry are given.Comprised of 12 chapters, this volume begins with an introduction to real Euclidean space, followed by a discussion on linear transformations and matrices. The addition and multiplication of transformations and matrices a

Free topological vector spaces

OpenAIRE

Gabriyelyan, Saak S.; Morris, Sidney A.

2016-01-01

We define and study the free topological vector space $\\mathbb{V}(X)$ over a Tychonoff space $X$. We prove that $\\mathbb{V}(X)$ is a $k_\\omega$-space if and only if $X$ is a $k_\\omega$-space. If $X$ is infinite, then $\\mathbb{V}(X)$ contains a closed vector subspace which is topologically isomorphic to $\\mathbb{V}(\\mathbb{N})$. It is proved that if $X$ is a $k$-space, then $\\mathbb{V}(X)$ is locally convex if and only if $X$ is discrete and countable. If $X$ is a metrizable space it is shown ...

Finding industrial space

DEFF Research Database (Denmark)

Riesto, Svava

2011-01-01

Spaces marked by industrial rationalities are easily overseen or rejected without further consideration during urban redevelopment processes. This is striking in an era where urban space is often seen as a cornerstone for the future city. This article investigates different concepts of open space...... that have been operative in the redevelopment of the so-called Carlsberg Square in Copenhagen between 2006-2009. It concludes with general remarcs on dealing with the complex matter open space in the practices of design and heritage management in urban redevelopment processes....

Intuitionistic supra fuzzy topological spaces

International Nuclear Information System (INIS)

Abbas, S.E.

2004-01-01

In this paper, We introduce an intuitionistic supra fuzzy closure space and investigate the relationship between intuitionistic supra fuzzy topological spaces and intuitionistic supra fuzzy closure spaces. Moreover, we can obtain intuitionistic supra fuzzy topological space induced by an intuitionistic fuzzy bitopological space. We study the relationship between intuitionistic supra fuzzy closure space and the intuitionistic supra fuzzy topological space induced by an intuitionistic fuzzy bitopological space

NASA Space Weather Center Services: Potential for Space Weather Research

Science.gov (United States)

Zheng, Yihua; Kuznetsova, Masha; Pulkkinen, Antti; Taktakishvili, A.; Mays, M. L.; Chulaki, A.; Lee, H.; Hesse, M.

2012-01-01

The NASA Space Weather Center's primary objective is to provide the latest space weather information and forecasting for NASA's robotic missions and its partners and to bring space weather knowledge to the public. At the same time, the tools and services it possesses can be invaluable for research purposes. Here we show how our archive and real-time modeling of space weather events can aid research in a variety of ways, with different classification criteria. We will list and discuss major CME events, major geomagnetic storms, and major SEP events that occurred during the years 2010 - 2012. Highlights of major tools/resources will be provided.

Which Space? Whose Space? An Experience in Involving Students and Teachers in Space Design

Science.gov (United States)

Casanova, Diogo; Di Napoli, Roberto; Leijon, Marie

2018-01-01

To date, learning spaces in higher education have been designed with little engagement on the part of their most important users: students and teachers. In this paper, we present the results of research carried out in a UK university. The research aimed to understand how students and teachers conceptualise learning spaces when they are given the…

Bridging the Worlds of Entertainment and Space - One Element of the Space Generation Foundation

Science.gov (United States)

Hildago, L.

2002-01-01

Programme on Space Applications, SGSabstracts@unsgac.org/fax +1(281)244-7478 The Space Generation Foundation, founder of ISU, is the current home for Space Rocks!, Yuri's Night, and other space projects focused on education, outreach, and sustainable development worldwide. One particular area of success in 2001/2002 has been the involvement of the entertainment community in space events. Yuri's Night brought together musicians, DJs, artists, and the public to celebrate space. Space Rocks will do the same on a much larger scale, employing film, theatre, poetry, music, art, advertising firms, and other unconventional media to communicate space to the public. We will present about the aims and future plans of the Foundation. The Space Generation Advisory Council in support of the United Nations Programme on Space Applications has as its main focus Space education and outreach. Since the Space Generation Forum in 1999, successful global education and outreach projects have been implemented by young people around the world. These and new ideas are being further developed at the Space Generation Summit (SGS), an event at World Space Congress (WSC) that will unite international students and young professionals to develop a youth vision and strategy for the peaceful uses of space. SGS, endorsed by the United Nations, will take place from October 11-13th, during which the 200 delegates will discuss ongoing youth space activities, particularly those stemming from the UNISPACE- III/SGF and taken forward by the Space Generation Advisory Council. Delegates will address a variety of topics with the goal of devising new recommendations according to the theme, 'Accelerating Our Pace in Space'. The material presented here and in other technical sessions throughout WSC includes the results of these discussions.

Space-like surfaces with free boundary in the Lorentz-Minkowski space

International Nuclear Information System (INIS)

López, R; Pyo, J

2012-01-01

We investigate a variational problem in the Lorentz-Minkowski space L 3 whose critical points are space-like surfaces with a constant mean curvature and making a constant contact angle with a given support surface along its common boundary. We show that if the support surface is a pseudosphere, then the surface is a planar disc or a hyperbolic cap. We also study the problem of space-like hypersurfaces with free boundary in the higher dimensional Lorentz-Minkowski space L n+1 . (paper)

Space Law and China

Science.gov (United States)

Tronchetti, Fabio

2017-08-01

Over the past few years, China has made remarkable achievements in the space sector and become one of the most relevant players in the outer space domain. Highlights of this process have been the deployment in orbit of the first Chinese space station, Tiangong-1, on September 29, 2011; and the landing of the Yutu rover on the lunar surface on December 14, 2013. While technological developments have occurred at such a rapid pace, the same cannot be said of the regulatory framework governing Chinese space activities, which still lays at its infant stage. Indeed, unlike other major space-faring countries, China lacks comprehensive and uniform national space legislation; as of now, China has enacted two low-level administrative regulations addressing the issues of launching and registration of space objects. With the growth of the Chinese space program, such a lack of a structured national space law is beginning to show its limits and to create concerns about its negative impact on business opportunities and the ability of China to fully comply with international obligations. One should keep in mind that the international space treaties (China is part to four international space law treaties) are not self-executing, thus requiring States to adopt domestic measures to ensure their effective implementation. Importantly, Chinese authorities appear to be aware of these issues; as stated by the secretary-general of the Chinese National Space Administration (CNSA) in 2014, national space law has been listed in the national legislation plan and the CNSA is directly engaged in such a process. However, questions remain as to how this drafting process will be conducted and what legal form and content the law will have. For example, China could either decide to proceed with a gradual approach, consisting in the adoption of laws addressing selected issues to be eventually assembled into one single law; or to directly move to the adoption of one comprehensive law. In any case, if

Space Sciences Focus Area

Energy Technology Data Exchange (ETDEWEB)

Reeves, Geoffrey D. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-08-10

To advance our understanding of the space environment (from the Sun to the Earth and beyond) and to advance our ability to operate systems in space that protect life and society. Space Science is distinct from other field, such as astrophysics or cosmology, in that Space Science utilizes in-situ measurements from high altitude rockets, balloons and spacecraft or ground-based measurements of objects and conditions in space.

$L$-Topological Spaces

Directory of Open Access Journals (Sweden)

Ali Bajravani

2018-04-01

Full Text Available ‎By substituting the usual notion of open sets in a topological space $X$ with a suitable collection of maps from $X$ to a frame $L$, we introduce the notion of L-topological spaces. Then, we proceed to study the classical notions and properties of usual topological spaces to the newly defined mathematical notion. Our emphasis would be concentrated on the well understood classical connectedness, quotient and compactness notions, where we prove the Thychonoff's theorem and connectedness property for ultra product of $L$-compact and $L$-connected topological spaces, respectively.

Space Resources Roundtable 2

Science.gov (United States)

Ignatiev, A.

2000-01-01

Contents include following: Developing Technologies for Space Resource Utilization - Concept for a Planetary Engineering Research Institute. Results of a Conceptual Systems Analysis of Systems for 200 m Deep Sampling of the Martian Subsurface. The Role of Near-Earth Asteroids in Long-Term Platinum Supply. Core Drilling for Extra-Terrestrial Mining. Recommendations by the "LSP and Manufacturing" Group to the NSF-NASA Workshop on Autonomous Construction and Manufacturing for Space Electrical Power Systems. Plasma Processing of Lunar and Planetary Materials. Percussive Force Magnitude in Permafrost. Summary of the Issues Regarding the Martian Subsurface Explorer. A Costing Strategy for Manufacturing in Orbit Using Extraterrestrial Resources. Mine Planning for Asteroid Orebodies. Organic-based Dissolution of Silicates: A New Approach to Element Extraction from LunarRegohth. Historic Frontier Processes Active in Future Space-based Mineral Extraction. The Near-Earth Space Surveillance (NIESS) Mission: Discovery, Tracking, and Characterization of Asteroids, Comets, and Artificial Satellites with a microsatellite. Privatized Space Resource Property Ownership. The Fabrication of Silicon Solar Cells on the Moon Using In-Situ Resources. A New Strategy for Exploration Technology Development: The Human Exploration and Development of Space (HEDS) Exploratiori/Commercialization Technology Initiative. Space Resources for Space Tourism. Recovery of Volatiles from the Moon and Associated Issues. Preliminary Analysis of a Small Robot for Martian Regolith Excavation. The Registration of Space-based Property. Continuous Processing with Mars Gases. Drilling and Logging in Space; An Oil-Well Perspective. LORPEX for Power Surges: Drilling, Rock Crushing. An End-To-End Near-Earth Asteroid Resource Exploitation Plan. An Engineering and Cost Model for Human Space Settlement Architectures: Focus on Space Hotels and Moon/Mars Exploration. The Development and Realization of a Silicon-60-based

The Outer Space Treaty

Science.gov (United States)

Johnson, Christopher Daniel

2018-01-01

Negotiated at the United Nations and in force since 1967, the Outer Space Treaty has been ratified by over 100 countries and is the most important and foundational source of space law. The treaty, whose full title is "Treaty on Principles Governing the Activities of States in the Exploration and Use of Outer Space, Including the Moon and Other Celestial Bodies," governs all of humankind's activities in outer space, including activities on other celestial bodies and many activities on Earth related to outer space. All space exploration and human spaceflight, planetary sciences, and commercial uses of space—such as the global telecommunications industry and the use of space technologies such as position, navigation, and timing (PNT), take place against the backdrop of the general regulatory framework established in the Outer Space Treaty. A treaty is an international legal instrument which balances rights and obligations between states, and exists as a kind of mutual contract of shared understandings, rights, and responsibilities between them. Negotiated and drafted during the Cold War era of heightened political tensions, the Outer Space Treaty is largely the product of efforts by the United States and the USSR to agree on certain minimum standards and obligations to govern their competition in "conquering" space. Additionally, the Outer Space Treaty is similar to other treaties, including treaties governing the high seas, international airspace, and the Antarctic, all of which govern the behavior of states outside of their national borders. The treaty is brief in nature and only contains 17 articles, and is not comprehensive in addressing and regulating every possible scenario. The negotiating states knew that the Outer Space Treaty could only establish certain foundational concepts such as freedom of access, state responsibility and liability, non-weaponization of space, the treatment of astronauts in distress, and the prohibition of non-appropriation of

Historical space steps of Turkey: It is high time to establish the Turkish space agency

Science.gov (United States)

Ercan, Cihan; Kale, İzzet

2017-01-01

This paper discusses the importance of space in today's space driven world, the current space activities of Turkey, its space organizations with legislation background information and calls for the necessity for the establishment of the Turkish Space Agency (TSA). Firstly, the importance of space is given which is followed by a brief background and current space activities in Turkey. Then, the answers to why Turkey needs a National Space Agency are outlined by stating its expected role and duties. Additionally, the framework for space policy for Turkey is proposed and the findings are compared with other developing regional space actors. Lastly, it is proposed and demonstrated that Turkey is on the right track with its space policy and it is suggested that the establishment of the TSA is critical both for a coherent space policy and progress as well as the successful development of its national space industry, security and international space relations.

Space exploration and colonization - Towards a space faring society

Science.gov (United States)

Hammond, Walter E.

1990-01-01

Development trends of space exploration and colonization since 1957 are reviewed, and a five-phase evolutionary program planned for the long-term future is described. The International Geosphere-Biosphere program which is intended to provide the database on enviromental changes of the earth as a global system is considered. Evolution encompasses the anticipated advantages of such NASA observation projects as the Hubble Space Telescope, the Gamma Ray Observatory, the Advanced X-Ray Astrophysics Facility, and the Cosmic Background Explorer. Attention is given to requirements for space colonization, including development of artificial gravity and countermeasures to mitigate zero gravity problems; robotics and systems aimed to minimize human exposure to the space environment; the use of nuclear propulsion; and international collaboration on lunar-Mars projects. It is recommended that nuclear energy sources be developed for both propulsion and as extraterrestrial power plants.

Deep Space Telecommunications

Science.gov (United States)

Kuiper, T. B. H.; Resch, G. M.

2000-01-01

The increasing load on NASA's deep Space Network, the new capabilities for deep space missions inherent in a next-generation radio telescope, and the potential of new telescope technology for reducing construction and operation costs suggest a natural marriage between radio astronomy and deep space telecommunications in developing advanced radio telescope concepts.

Strategy and space

DEFF Research Database (Denmark)

Jensen, Per Anker

2011-01-01

in different periods and how these strategies can be related to the general conditions of the corporation. The strategic uncertainty of the corporation is investigated as a main determining factor for changes in space strategy based on theories of the relations between strategy and place. These theories......The article is based on results from a research project on space strategies and building values, which included a major case study of the development of facilities for the Danish Broadcasting Corporation over time. The focus is to identify, how different space strategies have been implemented...... include that corporations follows one of the three generic space strategies: Incrementalism, standardization, and value-based strategy. Among the conclusion are, that the space strategies mostly changes between incremental and value-based strategies, but one period of standardization was identified...

CAND1 Promotes PLK4-Mediated Centriole Overduplication and Is Frequently Disrupted in Prostate Cancer

Directory of Open Access Journals (Sweden)

Nina Korzeniewski

2012-09-01

Full Text Available Centrosomes play a crucial role in the maintenance of genome stability by orchestrating bipolar mitotic spindle formation. The centrosome normally duplicates precisely once before mitosis in a process that is extensively regulated by protein degradation including SKP1-Cullin 1 (CUL1-F-box (SCF E3 ubiquitin ligase activity. The core SCF component CUL1 has recently been found to be required to suppress the formation of supernumerary centrosomes and centrioles, the core-forming units of centrosomes. Here, we identify the CUL1-interacting protein cullin-associated and neddylation-dissociated 1 (CAND1 as a novel centrosomal protein with a role in centriole duplication control. CAND1 was found to synergize with Polo-like kinase 4 (PLK4, a master regulator of centriole biogenesis, in the induction of centriole overduplication. We provide evidence that CAND1 functions in this process by increasing PLK4 protein stability. Furthermore, mutants of CUL1 that lack the ability to interact with CAND1 and are unable to assemble functional E3 ubiquitin ligase complexes were impaired in their ability to restrain aberrant daughter centriole synthesis. To corroborate a role of CAND1 in human carcinogenesis, we analyzed a series of prostate adenocarcinomas and found altered expression of CAND1 on the mRNA or protein level in 52.9% and 40.8%, respectively, of the tumor samples analyzed. These results highlight the role of altered SCF components in cancer in general and encourage further studies to explore the SCF-CAND1 axis for the development of novel predictive biomarkers and therapeutic approaches in prostate cancer.

Pharmacologic induction of epidermal melanin and protection against sunburn in a humanized mouse model.

Science.gov (United States)

Amaro-Ortiz, Alexandra; Vanover, Jillian C; Scott, Timothy L; D'Orazio, John A

2013-09-07

Fairness of skin, UV sensitivity and skin cancer risk all correlate with the physiologic function of the melanocortin 1 receptor, a Gs-coupled signaling protein found on the surface of melanocytes. Mc1r stimulates adenylyl cyclase and cAMP production which, in turn, up-regulates melanocytic production of melanin in the skin. In order to study the mechanisms by which Mc1r signaling protects the skin against UV injury, this study relies on a mouse model with "humanized skin" based on epidermal expression of stem cell factor (Scf). K14-Scf transgenic mice retain melanocytes in the epidermis and therefore have the ability to deposit melanin in the epidermis. In this animal model, wild type Mc1r status results in robust deposition of black eumelanin pigment and a UV-protected phenotype. In contrast, K14-Scf animals with defective Mc1r signaling ability exhibit a red/blonde pigmentation, very little eumelanin in the skin and a UV-sensitive phenotype. Reasoning that eumelanin deposition might be enhanced by topical agents that mimic Mc1r signaling, we found that direct application of forskolin extract to the skin of Mc1r-defective fair-skinned mice resulted in robust eumelanin induction and UV protection (1). Here we describe the method for preparing and applying a forskolin-containing natural root extract to K14-Scf fair-skinned mice and report a method for measuring UV sensitivity by determining minimal erythematous dose (MED). Using this animal model, it is possible to study how epidermal cAMP induction and melanization of the skin affect physiologic responses to UV exposure.

Activated Fps/Fes tyrosine kinase regulates erythroid differentiation and survival.

Science.gov (United States)

Sangrar, Waheed; Gao, Yan; Bates, Barbara; Zirngibl, Ralph; Greer, Peter A

2004-10-01

A substantial body of evidence implicates the cytoplasmic protein tyrosine kinase Fps/Fes in regulation of myeloid differentiation and survival. In this study we wished to determine if Fps/Fes also plays a role in the regulation of erythropoiesis. Mice tissue-specifically expressing a "gain-of-function" mutant fps/fes transgene (fps(MF)) encoding an activated variant of Fps/Fes (MFps), were used to explore the in vivo biological role of Fps/Fes. Erythropoiesis in these mice was assessed by hematological analysis, lineage marker analysis, bone-marrow colony assays, and biochemical approaches. fps(MF) mice displayed reductions in peripheral red cell counts. However, there was an accumulation of immature erythroid precursors, which displayed increased survival. Fps/Fes and the related Fer kinase were both detected in early erythroid progenitors/blasts and in mature red cells. Fps/Fes was also activated in response to erythropoietin (EPO) and stem cell factor (SCF), two critical factors in erythroid development. In addition, increased Stat5A/B activation and reduced Erk1/2 phosphorylation was observed in fps(MF) primary erythroid cells in response to EPO or SCF, respectively. These data support a role for Fps/Fes in regulating the survival and differentiation of erythroid cells through modulation of Stat5A/B and Erk kinase pathways induced by EPO and SCF. The increased numbers and survival of erythroid progenitors from fps(MF) mice, and their differential responsiveness to SCF and EPO, implicates Fps/Fes in the commitment of multilineage progenitors to the erythroid lineage. The anemic phenotype in fps(MF) mice suggests that downregulation of Fps/Fes activity might be required for terminal erythroid differentiation.