bluuebunny/crossref_metadata_2025_split huggingface dataset:
Relief vent sizing for deflagrations
Authors: Darby Ron 
Published: March 2006

AbstractMany gas‐phase reactions result in a pressure buildup that is very fast, but slower than that for an explosion (that is, a deflagration). Sizing a relief vent by the conventional method, which assumes a steady state discharge mass flow rate that is sufficient to remove energy from the vessel at a rate equal to the maximum rate at which it is input into or released within in the vessel, can result in an unacceptably large vent size. A method previously proposed by DuPont, which is based on an experimental rate constant for the deflagration reaction (the “violence coefficient”) and an empirical expression for the vent mass flux gives the vent size that limits the maximum transient pressure to less than the maximum allowable vessel pressure results in more realistic vent sizes. This paper compares the results of these two methods, as well as a modified method using a more general relation for the valve flow capacity, with the data for an ethylene decomposition reaction reported by DuPont. The modified method can be used for any gaseous relief with a known reaction rate constant and gas density as a function of pressure. © 2006 American Institute of Chemical Engineers Process Saf Prog, 2006
Extra high frequency study of magnetic order in GMI nanostructures
Authors: Tarapov S. 
Published: March 2006

AbstractThe research of the magnetic properties of electron system of low dimensional magnetic nanostructures is presented. Namely we discuss the results of study of multilayered and granular nanomagnets that demonstrate the Giant Magnetic Resistance (GMR) and Giant Magnetic Impedance (GMI) phenomena.The Electron Spin Resonance/Ferromagnetic Resonance (ESR/FMR) technique of millimeter waveband has been applied to define the magnetic ordering in the nanostructures dependent on the interaction between single magnetic granules/particles. The magnetization of saturation for various types of Co‐, Fe‐ and Ni‐nanogranular structures as well as the magnetoresonance response is under discussion. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
FMR studies of bilayer Co90Fe10/Ni81Fe19, Ni81Fe19/Co90Fe10 and monolayer Ni81Fe19 thin films
Authors: Güner S. , Yalçın O. , Kazan S. , Yıldız F. , Şahingöz R. 
Published: March 2006

AbstractThe magnetic properties of ferromagnetic bilayers Co90Fe10/Ni81Fe19, Ni81Fe19/Co90Fe10 and monolayer Ni81Fe19 thin films with individual layer thicknesses of 2 nm and 5 nm were grown on thermally oxidized Si substrate have been investigated by a ferromagnetic resonance (FMR) technique at room temperature. The FMR spectra were recorded for both parallel geometry, where the applied DC magnetic field in the surface of the films and perpendicular geometry with the magnetic field perpendicular to surface. The FMR resonance field were analyzed and fitted theoretically by using the dispersion relation with the Bloch–Bloembergen damping term. Computer programs have been written to extract the theoretical magnetization (M ), resonance field values (H r) and spin–spin relaxation time (T 2) fit parameters. Experimental and theoretical analyses showed that the order of bilayers with respect to the substrate creates remarkable effects on the magnetization properties due to changing continuity of structure on the substrate. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
DFT calculation of core‐electron binding energies of pyrimidine and purine bases
Authors: Takahata Yuji , Okamoto Andre K. , Chong Delano P. 
Published: March 2006

AbstractWe calculated the accurate core‐electron binding energies (CEBEs) of pyrimidine and purine bases in their isolated forms in the gas phase, i.e., uracil (U), thymine (T), cytosine (C), adenine (A), and guanine (G), using density functional theory (DFT) with the scheme ΔE (PW86‐PW91)/TZP//HF/6‐31G*. The relative magnitude of calculated CEBEs of the same type of atom in the gas phase pyrimidine and purine bases reflect its chemical environment. Comparison between the calculated CEBEs of the bases in the gas phase and observed CEBEs of the same molecules in the solid state permitted estimation of the approximate work functions (WD). Using the approximate WD, it was possible to calculate approximate CEBEs of the DNA bases in the solid state. The average absolute deviation from experiment was 0.37 eV. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
A conversation with Dr Christina Puchalski
Authors: Puchalski Christina M. 
Published: March 2006

AbstractDr Christina Puchalski is Founder and Director of the George Washington Institute for Spirituality and Health and Associate Professor in the Departments of Medicine and Health Care Sciences at the George Washington University, Washington DC, USA. She has pioneered the development of numerous educational programmes for undergraduate, graduate and postgraduate medical education in spirituality and medicine. Her spirituality curriculum at the George Washington University was one of the first in the country and received the John Templeton Award for Spirituality and Medicine. Since 1996, she has been directing an award programme for medical school curricula in spirituality and health nationally. Her research interests and expertise include the role of spirituality in health and end‐of‐life care, the role of clergy in health and end‐of‐life care, and evaluation of education programmes in spirituality and medicine. Dr Puchalski is Co‐Chair of a national education conference co‐sponsored by the Association of American Medical Colleges (AAMC) and Course Co‐Director of Harvard Medical School and the Mind/Body Medical Institute's annual Spirituality & Healing in Medicine conference. Dr Puchalski has been published widely in peer‐reviewed journals as well as other national journals and media outlets. She is the recipient of the AAMC and Pfizer's Award for the Medical Humanities Initiative 1999 and the Healthcare Foundation of New Jersey's faculty Humanism in Medicine Award 2001. Dr Puchalski's work in the field of spirituality and medicine encompasses the clinical, the academic and the pastoral application of her research and insights. She and her work have been featured widely in the press and other media both nationally and internationally. Copyright © 2004 Whurr Publishers Ltd.
Compassion and loving‐kindness: heartsongs for healing spirit
Authors: Malinski Violet 
Published: March 2006

AbstractRogers' science of unitary human beings has been an influential, if controversial, model affecting the development of nursing and health care. Some of the main tenets are explored and debated in the context of loving‐kindness and personal reflections on the author's own life and contact with Rogers. Key concepts such as healing, spirituality and caring are explored with reference to the work of Rogers and others, including recent stories of women with breast cancer, to illuminate how these concepts underpin the potential for illness and suffering to be the source of transformation rather than despair. Indeed, the influences of such transformation, it is argued, extend way beyond the individual person to embrace a whole philosophy of interconnectedness with all of creation. Copyright © 2004 Whurr Publishers Ltd.
L'Arche communities – a challenge for gentleness
Authors: Vanier Thérèse 
Published: March 2006

AbstractThomas Philippe, a French Dominican friar, and Jean Vanier, a Canadian philosopher and former naval officer, founded the first L'Arche community in France in 1964. L'Arche has now become an international federation of some 120 communities. In the 1960s and 1970s it was seen as a groundbreaking movement and as a leader in the development of non‐institutional and life‐affirming approaches to caring for those with learning disabilities. The term ‘mental handicap’ was more commonly used at the time that L'Arche was founded. The ethos of a caring community underpinned by spiritual and religious values has provided a much‐admired and emulated model. It has not been without its costs, however, and the communities, like others involved in caring, are having to address some fundamental issues concerning the impact on carers and the way in which the vision of the founders can be developed and sustained in the future. This personal account and reflection, by the sister of one of the founders, is built on her experience of L'Arche in the UK. It sets out some of the challenges facing the creation of a caring environment for both carers and cared for. Copyright © 2004 Whurr Publishers Ltd.
A conversation with Margaret Guenther
Authors: Guenther Margaret Adah Beltz 
Published: March 2006

AbstractMargaret Guenther is currently Associate Rector for Spiritual Formation, St Columba's Episcopal Church, Washington, DC. She is a lecturer, preacher, conductor of workshops and retreats and Professor Emerita of Ascetical Theology, the General Theological Seminary, and she was Director, the Center for Christian Spirituality, the General Theological Seminary (1985–1997). She has worked across the world, including lectureships in Australia and the Netherlands as well as holding teaching roles at George Washington, Harvard and Kansas universities. Her educational background includes (1983) a Masters in Divinity at the General Theological Seminary and a PhD in Germanic Languages and Literatures, Radcliffe College (Harvard University 1958). She was ordained to the priesthood in 1984. Her main publications include:Notes from a Sojourner, Church Publishing, 2002My Soul in Silence Waits, Cowley Publications, 2000The Practice of Prayer, Volume 4 in The New Church's Teaching Series, Cowley Publications, 1998Toward Holy Ground: Spiritual Directions for the Second Half of Life, Cowley Publications, 1995. Published in England by Darton, Longman & Todd, 1996And the acclaimed Holy Listening: The Art of Spiritual Direction, Cowley Publications, 1992. Published in England by Darton, Longman & Todd, 1992 (Reviewed in Spirituality and Health International Volume 5, Issue 3) Copyright © 2004 Whurr Publishers Ltd.
Understanding the behavior of compiler optimizations
Authors: Lee Han , von Dincklage Daniel , Diwan Amer , Moss J. Eliot B. 
Published: March 2006

AbstractCompiler optimizations are difficult to implement and add complexity to a compiler. For this reason, compiler writers are selective about implementing them: they implement only the ones that they believe will be beneficial. To support compiler writers in this, we describe a method for measuring the cost and benefits of compiler optimizations, both individually and in synergy with other optimizations. We demonstrate our method by presenting results for the optimizations implemented in the Jikes Research Virtual Machine on the PowerPC and IA32 platforms. Copyright © 2006 John Wiley & Sons, Ltd.
Passion fruit juice sacs: biochemical characterization and enzymatic treatment
Authors: Florez Luz Marina , Vaillant Fabrice , Hollander Harold , Ariza‐Nieto Magnolia 
Published: March 2006

AbstractProducing passion fruit juice involves separating the juice sacs from seeds, a tedious operation which can affect the juice quality. To improve this operation, the morphology and biochemical composition of arils were studied. The aril has two major membranes, one external, which retains almost two‐thirds of the juice, and one internal that retains the other third. The two membranes are composed of a single‐cell layer which stains for pectin. To solubilize the middle lamella and free the juice, only 18 nkat of pectinlyase activity per litre was needed. Copyright © 2003 Whurr Publishers Ltd
Genetic analysis of attractiveness of Upper Amazon cocoa selections to homopterous insect pests
Authors: Adomako B , Ackonor JB 
Published: March 2006

AbstractThere were significant differences in the attractiveness of ten Upper Amazon cocoa selections to homopterous insect pests but none of the Nanay, Parinari, IMC or T types was consistently preferred when the female parents were considered. For the male parents, Sca 9 (Upper Amazon) was markedly more attractive to the insect pests than either ICS 6 (Trinitario) or P30 (Amelonado). Copyright © 2003 Whurr Publishers Ltd
Effect of harvesting method on quality and storability of dry dates in Sudan
Authors: Abu‐Goukh Abu‐Bakr A , Shattir Adil E , El Balla Mustafa MA 
Published: March 2006

AbstractHarvesting Barakawi and Gondeila dates by climbing the palm and lowering the bunch by rope, rather than throwing it to the ground, reduced the proportion of shattered fruits to 2.1 from 97.3% and fruits that lost perianths to 6.4 from 72.1%. The improved method kept the Barakawi dates completely free from insect infestation for 4 months and Gondeila for 2 months of storage at ambient conditions. Insect infestation after 12 months of storage was 93.0% in Gondeila, significantly higher than 56.2% in Barakawi. Copyright © 2003 Whurr Publishers Ltd
Oligophosphanid‐Anionen: Synthesen und Molekülstrukturen von [K2(PMDETA)2(P4Ph4)], [K2(PMDETA)(P4tBu4)]2 und [K(PMDETA)(THF){cyclo‐(P5tBu4)}] (PMDETA = NMe(CH2CH2NMe2)2)
Authors: Wolf Robert , Hey‐Hawkins Evamarie 
Published: March 2006

AbstractOligophosphanide Anions: Syntheses and Molecular Structures of [K2(PMDETA)2(P4Ph4)], [K2(PMDETA)(P4tBu4)]2 and [K(PMDETA)(THF){cyclo‐(P5tBu4)}] (PMDETA = NMe(CH2CH2NMe2)2)The alkali metal tetraphosphanediides [K2(PMDETA)2(P4Ph4)] (1) and [K2(PMDETA)(P4tBu4)]2 (2) [PMDETA = NMe(CH2CH2NMe2)2] were synthesized via reaction of PhPCl2 or tBuPCl2 with 2.5 equiv. potassium and characterized by X‐ray crystallography and 31P NMR spectroscopy. As in other ion contact complexes of the type M2(P4R4) (M = alkali metal) the solid‐state structures are retained in solution. While 1 could be prepared in comparatively good yield (54 %), 2 was only isolated in very modest yield and with low purity as [K(PMDETA)(THF){cyclo‐(P5tBu4)}] (3) was formed as a side product in this case. 3 was also characterized by X‐ray crystallography and 31P NMR spectroscopy.
Benzodithiazolium‐Chlorooxomolybdate(V): Darstellung und Kristallstruktur von (C6H4NS2)[MoOCl4] und (C6H4NS2)[MoOCl4·H2O]
Authors: Beck Johannes , Koch Michael 
Published: March 2006

AbstractBenzodithiazolium Chlorooxomolybdate(V): Preparation and Crystal Structure of (C6H4NS2)[MoOCl4] and (C6H4NS2)[MoOCl4·H2O]Red benzo‐1,3,2‐dithiazolium‐chlorooxomolybdate(V) (C6H4NS2)[MoOCl4] (1) was obtained by the reaction of benzo‐1,3,2‐dithiazoliumchloride and molybdenum(V)chloride oxide in dichlormethane under solvothermal conditions at 70 °C. In the presence of small amounts of concentrated hydrochloric acid the yellow compound (C6H4NS2)[MoOCl4·H2O] (2) is formed under analogue conditions. Both crystal structures (1: monoclinic, C2/c, a = 799.2(1), b = 2091.5(2), c = 791.5(1) pm, β = 102.2(1)°, Z = 4; 2: monoclinic, Cc, a = 953.7(1), b = 2468.9(3), c = 608.1(1) pm, β = 112.5(1)°, Z = 4) contain the planar benzo‐1,3,2‐dithiazolium ion. Within the structure of 1 the molybdenum atoms in the [MoOCl4]− ions are coordinated in a square pyramidal fashion with an oxygen atom in apical position and the basal plane formed by chlorine atoms. The nitrogen atom of the cation, which bears a partial negativ charge, expands the coordination to a distorted octahedron. The structure therefore is made up of ionic pairs {(C6H4NS2)+ [MoOCl4]−} with a Mo–N distance of 266 pm. 1 is paramagnetic with a magnetic moment of 1.7 B.M. corresponding to one unpaired electron per formula unit. In the structure of 2 the coordination of the [MoOCl4]− ion is expanded by the oxygen atom of a coordinating water molecule. The structure is dominated by hydrogen bonds between the oxygen atoms of the [MoOCl4·H2O]− ions which cause the concatenation of the anions to infinite chains.
Synthese und Charakterisierung neuer fünf‐ und sechsfach koordinierter Mangan(II)‐Komplexe als Modellsysteme für manganabhängige Catecholdioxygenasen
Authors: Kloskowski Michael , Krebs Bernt 
Published: March 2006

AbstractSynthesis and Characterization of Novel Five‐ and Six‐coordinate Manganese Complexes as Catechol Dioxygenase ModelsThe five‐ and six‐coordinate manganese complexes [Mn(tphhp)Cl2] {tphhp = N,N′‐bis(2‐pyridylmethyl)‐2‐(2‐pyridyl)hexahydropyrimidine} (1), [Mn(bpma)Cl](ClO4) {bpma = bis((2‐pyridylmethyl)((1‐methylbenzimidazol‐2‐yl)‐methyl)amine} (2) and [Mn(L)TCC] {HL = (1‐hydroxy‐4‐nitrobenzyl)((1‐methylimidazol‐2‐yl)methyl)(2‐pyridylmethyl)amine} (3) were synthesized and characterized by various techniques such as single crystal X‐ray structure analysis, mass spectrometry, IR and UV/vis spectroscopy, cyclic voltammetry, and elemental analysis. 1 and 2 crystallize in the monoclinic space group P21/n (No. 14) (1) and P21/c (No. 14) (2). The ligand and the chlorine ions provide the N3Cl2‐donorset in 1 and the N3Cl2‐donorset in 2, respectively. Compounds 1 and 2 show catalytic activity regarding the oxidation of 3,5‐di‐tertbutylcatechol to 3,5‐di‐tert‐butylchinon. To our knowledge, 1 and 2 are the first five‐coordinate manganese complexes that show catecholase activity. 3 crystallize in the orthorhombic space group P212121 (No. 19) and the ligand and tetrachlorocatechol (TCC) build the N3O3‐donorset in 3.
Phenylimidorhenium(V) Complexes with 1,3‐Diethyl‐4,5‐dimethylimidazole‐2‐ ylidene Ligands
Authors: Braband Henrik , Przyrembel Daniel , Abram Ulrich 
Published: March 2006

AbstractThe phenylimidorhenium(V) complexes [Re(NPh)X3(PPh3)2] (X = Cl, Br) react with the N‐heterocyclic carbene (NHC) 1,3‐diethyl‐4,5‐dimethylimidazole‐2‐ylidene (LEt) under formation of the stable rhenium(V) complex cations [Re(NPh)X(LEt)4]2+ (X = Cl, Br), which can be isolated as their chloride or [PF6]− salts. The compounds are remarkably stable against air, moisture and ligand exchange. The hydroxo species [Re(NPh)(OH)(LEt)4]2+ is formed when moist solvents are used during the synthesis.The rhenium atoms in all three complexes are coordinated in a distorted octahedral fashion with the four NHC ligands in equatorial planes of the molecules. The Re–C(carbene) bond lengths between 2.171(8) and 2.221(3) Å indicate mainly σ‐bonding between the NHC ligand and the electron deficient d2 metal atoms. Attempts to prepare analogous phenylimido complexes from [Re(NPh)Cl3(PPh3)2] and 1,3‐diisopropyl‐4,5‐dimethylimidazole‐2‐ylidene (Li−Pr) led to a cleavage of the rhenium‐nitrogen multiple bond and the formation of the dioxo complex [ReO2(Li−Pr)4]+.
Jahn‐Teller‐Ordnung in pipzH2[Mn2F8], einem Fluoromanganat(III) mit neuer Schichtstruktur
Authors: Stief Ronald , Massa Werner 
Published: March 2006

AbstractJahn‐Teller Ordering in pipzH2[Mn2F8], a Fluoromanganate(III) with a New Layer StructureFrom a solution of (pipzH2)[MnF2(HPO4)(H2O)]·(H2PO4) in concentrated hydrofluoric acid the title compound could be crystallized and was characterized by X‐ray crystallography: monoclinic, space group P21/n, Z = 8, a = 13.275(1), 10.400(1), c = 14.928(1) Å, β = 112.337(8), R = 0.0265. The structure shows a new type of anionic layers [Mn2F8] built of dimers of edge‐sharing [MnF6] octahedra linked via common vertices, alternating with layers of piperazinium(2+) cations. A dense network of hydrogen bonds N–H···F achieves a strong 3D interconnection. Strong elongation of the [MnF6] octahedra is observed due to the Jahn‐Teller effect.The long axes show parallel (ferrodistortive) orientation within the dimers, but the ordering between the dimers is antiferrodistorive. A possible mechanism of formation is discussed on the basis of precursor structures.
Trovacenchemie. 13 [1] Weg und Irrweg zu Di([5]trovacenyl)keton
Authors: Elschenbroich Christoph , Plackmeyer Jörn , Harms Klaus , Burghaus Olaf , Pebler Jürgen 
Published: March 2006

AbstractTrovacene Chemistry. 13 [1] On Being Lead and Mislead in the Synthesis of Di([5]trovacenyl)ketoneDi([5]trovacenyl)ketone (3¨) has been prepared from lithio‐[5]trovacene and dimethylcarbamoyl chloride and studied by X‐ray diffraction, cyclic voltammetry, magnetic susceptometry and EPR spectroscopy. Slight variation of the synthetic protocol affords an unusual trinuclear complex 5 ⃛ that is also fully characterized. Spin‐spin exchange interaction is smaller in 3¨ than in 1,1‐di([5]trovacenylethene (2¨), which differs from 3¨ by a replacement of O for CH2. The novel trinuclear complex 5 ⃛, however, displays exchange coupling very similar to that observed in 1‐methoxy‐2,5,6‐tri([5]trovacenyl)benzene (7 ⃛). In both cases, an unsymmetrical triangular arrangement of S = 1/2 centers is encountered. These findings are discussed in terms of the nature of the respective spacers.
Metal Chelates of N‐(2‐pyridylmethyl)iminodiacetate(2‐) Ion (pmda). Part II. Ternary pmda Chelates with M = Co, Cu or Zn and Creatinine as Auxiliary Ligand
Authors: Castiñeiras Alfonso , Choquesillo‐Lazarte Duane , González‐Pérez Josefa María , Carballo Rosa , Niclós‐Gutiérrez Juan 
Published: March 2006

AbstractThe compounds [Cu(pmda)(crea)]·H2O (1), [Zn(pmda)(crea)]·H2O (2) and [Co(pmda)(crea)(H2O)]·H2O (3) were prepared and characterized by thermal, spectral and X‐ray diffraction methods. In compounds 1 and 2 the MII coordination is of type 4+1 and approaches to a trigonal bipyramid (71.85 and 86.18 %, respectively) with rather linear N(pmda)‐MII‐N(crea) trans‐apical angles, but with different longest coordination bond (Cu‐O(pmda) or Zn‐N(apliphatic, pmda), respectively). Both compounds are isotypic and one intra‐molecular interligand N‐H···O interaction reinforces the molecular recogniton crea‐MII(pmda) chelate. In contrast, the compound 3 exhibits an octahedral coordination, imposed by the 3d7 electronic configuration of the cobalt(II) atom, and the crea‐chelate recognition involves the Co‐N(crea) coordination bond and one intramolecular ‘bifurcated’ H‐bonding interaction between one N‐H(crea) bond and one O(pmda) plus the O(aqua) atoms as ‘acceptors’.
Bis[N,N′‐bis(2‐nitrocinnamaldehyde)phenylenediimine]copper(I) Perchlorate
Authors: Hadjikhani Ramin , Dehghanpour Saeed , Mahmoudi Ali , Mojahed Fresia 
Published: March 2006

AbstractThe complex [Cu(nitroca2ph)2]ClO4, where nitroca2ph is N,N′‐bis(2‐nitrocinnamaldehyde)phenylenediimine, crystallizes in the triclinic space group ${\rm P}{\bar 1}$ with a = 13.167(1), b = 13.209(1), c = 14.465(1) Å, α = 83.209(9)°, β = 68.438(2)°, γ = 70.803(2)°, V = 2209.4(3) Å3, Z = 2, Dcalc = 1.527 mg/m3. The coordination polyhedron about the Cu(I) atom is best described as a distorted tetrahedron. 2‐nitroca2en acts as a bidentate ligand coordinating via two N atoms to the copper. The four Cu–N distances are 2.04 (2), 2.038(2), 2.046(2), and 2.062(2) Å.