bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Study of Geometries and Electronic Transition of Color-Switching Molecules: Tetra-Aza Macrocycle and Its Zinc Complexes
Authors: Zhu Zhenxia , Takano Keiko , Furuhama Ayako , Ogawa Shojiro , Tsuchiya Shinji 
Published: April 2007

Abstract
Tetra-aza macrocycles containing 2,2′-bipyridine moieties fascinatingly undergo color-switching. Here, a tetra-aza macrocycle was analyzed as well as its zinc complexes from the viewpoint of ab initio molecular orbital (MO) and density functional theory (DFT) calculations. As a result of systematic geometry searches, obtained geometries of stable conformers were consistent with the structural formula developed from the experimental results. Transition energies and oscillator strengths of the stable conformers were calculated based on time-dependent DFT (TDDFT) and compared with the experimental data. The effect of the solvent was considered by using a polarization continuum model (PCM). The calculated transition energies qualitatively agreed with the experimental UV spectra. Structural changes upon complexation and the features of the molecular orbitals related to the transition from the ground state to the excited states are discussed.
Transport Properties of Non-Spherical Gases
Authors: Maghari Ali , Jalili Amir Hossein 
Published: April 2007

Abstract
Transport properties of dilute gases consisting of non-spherical molecules are described in this work via permanent and induced electric multipole moments. We separated the part dependent on the angular variables and considered it as a perturbation to the central-type intermolecular potential energy. The spherically symmetric component of the potential function was assumed to be the Lennard–Jones 12–6 form. In this work, we obtained the general expressions for non-central contributions to the collision integrals. These expressions were applied to cases of axially symmetric with respect to the z-axis. Numerical examples of the effects of non-spherical interactions are given for NO and CO.
Fragmentation Position Dependency of the Total Energy and Atomic Charge Difference between the Fragment MO Method and Conventional Ab Initio SCF-MO Method. A Case of (−)-Epicatechin Gallate with STO-3G Basis Set
Authors: Tamura Katsuhiro , Inadomi Yuichi , Nagashima Umpei 
Published: April 2007

Abstract
The fragmentation pattern dependence of the total energy and atomic charge difference between the fragment MO method and conventional ab initio Hartree–Fock SCF-MO method (HFMO) was investigated using 44 patterns of (−)-Epicatechin gallate. Both differences were sensitive to the fragmentation pattern. A “best” pattern for which results comparable to HFMO can be achieved, exists.
Copper–Dioxygen Reactivity Using Dinucleating Ligands with Activated Methylene or Ketone Function
Authors: Lee Dong-Heon , Murthy Narasimha N , Karlin Kenneth D 
Published: April 2007

Abstract
Copper(I)–dioxygen reactivity studies utilizing new binucleating ligands are described. When catalytic quantities of either CuI or CuII salts were introduced to LH2, which is a dinucleating ligand with two tridentate donors connected via a methylene group at a bis(2-pyridyl)methane junction, dioxygen addition caused complete oxygenation to give bis(2-pyridyl)ketone product L=O. Isolated dicopper(I) complex [CuI2(LH2)]2+ (1) also reacted with excess O2 to give L=O. Additional observations were consistent with a mechanism that does not involve “oxygen-activation” in this process. Ketone hydration and gem-diol(ate) copper(II)-coordination occurred by addition of copper(II)–perchlorate to L=O, giving [CuII2{L(OH)(O−)}Cu2II(−OClO3)]2+ (4), with a bridging alkoxide moiety (X-ray). Oxygenation of [CuI2(L=O)(CH3CN)2]2+ (2) (2/O2 = 0.5, i.e., Cu/O2 = 4:1 manometry), gave [CuII2{L(O−)2}(−OClO3)]+ (5), where both oxygen atoms of the doubly deprotonated gem-diolate bind separate copper(II) ions; mass spectrometric data showed that one of the two oxygen atoms of the gem-diolate L(O−)2 came from O2. An oxo–dicopper(II) species is suggested as an important intermediate, which is supported by the observation that reaction of 2 with NO or iodosylbenzene also produced 5 in high yields. Complexes 4 and 5 are acid–base conjugate pairs and can be readily interconverted using Et3N or HClO4(aq) reagents.
Molecular Design and Synthesis of Fluorinated Polyethers toward Organic Materials with High Dielectric Constants and Ferroelectricity
Authors: Okano Takashi , Hiraishi Makiko , Mizutani Tomonori 
Published: April 2007

Abstract
Molecular design and synthesis of organic ferroelectric materials with a –OCH2CF2CH2O– moiety as the basic molecular structure were conducted in order to improve the high coercive field value of poly(vinylidene fluoride) (PVDF). The synthesis of the designed molecules were based on the half ester 2,2-difluoro-1,3-propanediol N,N-diethylcarbamamic acid. The sequence of alkylation of alcohol, deprotection, and the second alkylation efficiently produced the desired polyethers except in the case of the Williamson ether synthesis, which occurs between a fluorinated alcohol and a fluorinated tosylate. The dielectric constants of the prepared polyethers at room temperature were relatively high, although no ferroelectric properties were observed. Another method had functional groups at the end of the molecules for intermolecular interaction. Hydrogen-bonded bisacetamide showed dielectric relaxation and ferroelectricity.
Photocyclization of 2-(N-Benzoyl-N-benzylamino)ethyl Benzoylacetate via Remote Hydrogen Abstraction. Enhancing Effect on Biradical Cyclization by the N-Benzoyl Group
Authors: Hasegawa Tadashi , Anma Takashi , Suzuki Satoko , Maeda Yutaka , Horn Ernst 
Published: April 2007

Abstract
Upon irradiation 2-(N-benzoyl-N-benzylamino)ethyl benzoylacetate underwent photocyclization to give 8-membered azalactones in high yields. Intramolecular hydrogen bonding between the hydroxy and benzoyl carbonyl group in the 1,8-biradical intermediate produced from the benzoylacetate enhanced the photocyclization.
Iridium(III) Complexes Bearing Quinoxaline Ligands with Efficient Red Luminescence Properties
Authors: Tani Kazuyasu , Fujii Hiroyuki , Mao Lisheng , Sakurai Hidehiro , Hirao Toshikazu 
Published: April 2007

Abstract
Newly designed cyclometalated iridium(III) complexes bearing 2,3-diphenylquinoxalines, which were shown to be highly efficient and pure-red emitting materials for electrophosphorescent organic light-emitting diodes (OLEDs), were synthesized and characterized. Excellent quantum efficiencies for photoluminescence within the range of 50–79% were attained in dichloromethane solution at room temperature. Luminescence peak wavelengths of the complexes were within the preferred range of 653–671 nm in thin films. The most vivid red electrophosphorescence with CIE chromaticity coordinates x = 0.70 and y = 0.28, which are the closest to the ultimate limit of pure red among reported OLEDs, was achieved with the acetylacetonatoiridium complex bearing 2,3-diphenylquinoxaline.
The Timing of Resource Development and Sustainable Competitive Advantage
Authors: Pacheco-de-Almeida Gonçalo , Zemsky Peter 
Published: April 2007

We develop a formal model of the timing of resource development by competing firms. Our aim is to deepen and extend resource-level theorizing about sustainable competitive advantage. Our analysis formalizes the notion of barriers to imitation, particularly those based on time compression diseconomies where the faster a firm develops a resource, the greater the cost. Time compression diseconomies are derived from a micromodel of resource development with diminishing returns to effort. We use a continuous time model of the flows of development costs and market revenues, which allows us to integrate strategic and financial analyses of firm investment problems. We examine two dimensions of sustainability: whether the resources underlying a firm’s competitive advantage are economically imitable and, if so, how long imitation takes. Surprisingly, we show that sustainable competitive advantage does not necessarily lead to superior performance. We find that imitators sometimes benefit from reductions in their absorptive capacity and that innovators should license either all or none of their knowledge. Despite recent criticisms, we reaffirm the usefulness of a resource level of analysis for strategy research, especially when the focus is on resources developed through internal projects with identifiable stopping times.
At the end of a huge crit in the summer, it was crap I'd worked really hard but all she said was fine and I was gutted.
Authors: Blair Bernadette 
Published: April 2007

This article reflects on the learning value for students of formative assessment feedback in the large studio crit. A variety of research studies have established that formative assessment and feedback can affect the quality of learning (Black and Wiliam 1998; Crooks 1988, 2001; Gibbs
1992; Harlen and James 1997; Ramsden 1992; Sadler 1989, 2005; Torrance 1993; Torrance and Pryor 1998).
The article draws on the findings of a small focused study (Blair 2006) and references other research studies into the studio crit in art and design and architecture. The study premises
that the learning value of feedback students receive at the large crit is often affected by their perception of self. This, the study evidences, results in much of the verbal formative assessment feedback literally falling on deaf ears.
Lungenkrebsscreening mit Tumormarkern? Eine Betrachtung unter Berücksichtigung sozioökonomischer Aspekte / Lung cancer screening using tumour markers? – A view in consideration of socioeconomic aspects
Authors: Bitterlich Norman , Schneider Joachim 
Published: April 2007

Zusammenfassung
Die nachfolgend dargestellten Beispielrechnungen belegen exemplarisch die Möglichkeit, durch sequentielle Messauswertung der Kostensteigerung beim Lungenkrebsscreening entgegenzuwirken, die aus umfangreicheren Folgeuntersuchungen resultiert. Verbindet man diese Vorgehensweise mit noch leistungsfähigeren Verfahren der Datenauswertung, wird der erzielbare Informationsgewinn ökonomisch sinnvoll. Die dargelegten konkreten Zahlenwerte hängen maßgeblich vom Patientenkollektiv ab und sind für andere Anwendungen anzupassen. Die Berechnungen sind jedoch für retrospektives Datenmaterial unkompliziert ausführbar und nicht auf die Tumormarkerprofilauswertung beschränkt. So können beispielsweise auch die alternativen Diagnoseverfahren für ein potentielles Lungenkrebsscreening wie CT-Thorax-Untersuchung oder Sputumanalysen in dieser Weise unter ökonomischer Sicht analysiert und diskutiert werden.
CEA und CA15-3 beim fortgeschrittenen Mammakarzinom / CEA and CA 15-3 during disease progression in metastatic breast cancer
Authors: Laessig Dorit , Nagel Dorothea , Heinemann Volker , Untch Michael , Kahlert Steffen , Bauerfeind Ingo , Stieber Petra 
Published: April 2007

Zusammenfassung

Fragestellung: Das Ziel der deskriptiven Analyse war es, eine Korrelation zwischen erhöhten Werten von carcinoembryonalem Antigen (CEA) und Cancer Antigen (CA) 15-3 und dem Fortschreiten der Erkrankung bei Patientinnen mit metastasiertem Mammakarzinom zu zeigen.

Patienten und Methoden: Für die Studie wurden die Krankengeschichten und Befunde von Patientinnen retrospektiv analysiert, die im Zeitraum Januar 1992 bis Dezember 2004 im Klinikum München Großhadern behandelt wurden. Wir evaluierten CEA- und CA 15-3-Werte von 71 Patientinnen zum Zeitpunkt der ersten Fernmetastasierung (1. FM), von 85 Patientinnen zum Zeitpunkt der 1. Tumorprogression (1. PD), sowie von 86, 72, 62 und 47 Patientinnen zum Zeitpunkt der folgenden Tumorprogressionen (2. PD bis 5. PD). Dabei war es möglich, dass Patientinnen mehrmals in die Auswertung eingingen.

Ergebnisse: Es zeigte sich sowohl ein Ansteigen von CEA als auch von CA 15-3 in Korrelation zur Anzahl der Tumorprogressionen (PD). Zum Zeitpunkt der 1. FM ergaben sich Mediane von 2,7 ng/mL für CEA und 43,8 U/mL für CA 15-3. Beim erneuten Progress einer bekannten Metastasierung oder Auftreten einer zusätzlichen Metastasierung (1. PD-5. PD) wurden folgende Mediane für CEA/CA 15-3 beobachtet: 2,8 ng/mL/44,7 U/mL beim 1. PD; 4,1 ng/mL/65,4 U/mL beim 2. PD; 5,2 ng/mL/94 U/mL beim 3. PD; 8,2 ng/mL/97 U/mL beim 4. PD und 8,8 ng/mL bzw. 139 U/mL beim 5. PD. Analog dazu stieg die Sensitivität für das Erkennen von Fernmetastasen sowohl für CEA als auch für CA 15-3. Die Kombination beider Tumormarker führte im Laufe der Tumorerkrankung zu einer Verbesserung der Sensitivität von 80,3% zum Zeitpunkt der 1. FM bis zu 95,7% zum Zeitpunkt der 5. PD.

Schlussfolgerung: Es besteht eine Korrelation zwischen der Höhe von CEA und/oder CA 15-3 und dem Fortschreiten der Tumorerkrankung. Dabei führt die Kombination beider Tumormarker zu einer deutlichen Verbesserung der Sensitivität.
Gravitational potential in fractional space
Authors: Muslih Sami , Baleanu Dumitru , Rabei Eqab 
Published: April 2007

AbstractIn this paper the gravitational potential with β-th order fractional mass distribution was obtained in α dimensionally fractional space. We show that the fractional gravitational universal constant G α is given by $$G_\alpha = \frac{{2\Gamma \left( {\frac{\alpha }{2}} \right)}}{{\pi ^{\alpha /2 - 1} (\alpha - 2)}}G$$ , where G is the usual gravitational universal constant and the dimensionality of the space is α > 2.
Computational studies of steady-state sound field and reverberant sound decay in a system of two coupled rooms
Authors: Meissner Mirosław 
Published: April 2007

AbstractThe acoustical properties of an irregularly shaped room consisting of two connected rectangular subrooms were studied. An eigenmode method supported by a numerical implementation has been used to predict acoustic characteristics of the coupled system, such as the distribution of the sound pressure in steady-state and the reverberation time. In the theoretical model a low-frequency limit was considered. In this case the eigenmodes are lightly damped, thusthey were approximated by normal acoustic modes of a hard-walled room. The eigenfunctions and eigenfrequencies were computed numerically via application of a forced oscillator method with a finite difference algorithm. The influence of coupling between subrooms on acoustic parameters of the enclosure was demonstrated in numerical simulations where different distributions of absorbing materials on the walls of the subrooms and various positions of the sound source were assumed. Calculation results have shown that for large differences in the absorption coefficient in the subrooms the effect of modal localization contributes to peaks of RMS pressure in steady-state and a large increase in the reverberation time.
Enhanced vigilin and anionic trypsinogen expression in experimental chronic pancreatitis
Authors: Hilgendorf Inken , Aßmuth Karen , Sparmann Gisela , Emmrich Jörg , Kruse Charli 
Published: April 2007

Abstract
The molecular principles that lead to chronic pancreatitis are incompletely understood. Trypsin(ogen) plays a key role in the development of pancreatitis. Since the production of trypsin(ogen) by acinary pancreatic cells is paralleled by the expression of vigilin we hypothesised that vigilin may be involved in the onset of pancreatitis. Vigilin is a ubiquitous protein and has apparently high affinity to RNA.
In the present study experimental pancreatitis was induced in male rats by a single intravenous application of dibutyltin dichloride (DBTC). Sections of rat pancreas were immunostained with an affinity-purified polyclonal antiserum against vigilin or trypsin(ogen). The changes in vigilin and trypsin(ogen) protein expression were determined by immunoblotting and subsequent sequence analysis of the amino acids.
Induction of pancreatitis by DBTC caused alterations in the distribution and the amount of both vigilin and trypsin(ogen) as shown by immunohistochemical and immunoblot analysis.
Furthermore we could demonstrate that anionic trypsinogen expression is up-regulated in DBTC-induced chronic pancreatitis. The obtained results suggest that vigilin as well as trypsin(ogen) are involved in the pathogenesis of pancreatitis and that the long-time DBTC-induced pancreatitis is a useful model for study of chronic pancreatitis.
Congenital fetal heart disease — course and outcome of pregnancies
Authors: Plešinac Snežana , Plećaš Darko , Ljubić Aleksandar , Parezanović Vojislav , Terzić Milan 
Published: April 2007

Abstract
The aim of the study was to analyze the course and outcome of pregnancies with congenital heart disease of the fetus, diagnosed and terminated at the Institute of gynecology and obstetrics Clinical Center of Serbia over four years.
The study included 71 patients, divided into 3 groups according to the fetal outcome. Group 1 had consisted of 9 pregnancies terminated artificially, Group 2 of 48 patients who delivered live fetuses, and Group 3 of 14 pregnancies terminated as fetal intrauterine death.
The types congenital heart diseases were categorized as follows: 40 had L-R shunting type, 18 R-L shunting type, 8 coartacion of aorta, and 7 valvular diseases. Intrauterine fetal death occurred in 11 pregnancies in Group 3 after 28 weeks of gestation. In 13 cases karyotypisation were done, because of maternal age or intrauterine growth retardation diagnosed with ultrasound, and 9 of them had genetic disorders. Forty-eight fetuses were born alive. Fourteen died in the first 2–7 days and 12 had successful heart surgery. Twenty-two needed no surgical correction. Ultrasound findings were false negative in 3 cases.
The diagnosis of fetal heart disease should be done by fetal echocardiogram, which can be preformed early in the beginning of the pregnancy.
Bakery Processes, Chemical Leavening Agents
Authors: Brodie John , Godber John 
Published: April 2007

Abstract
Chemical leavening involves the action of an acid on bicarbonate to release carbon dioxide gas for aeration of a dough or batter during mixing and baking. The aeration provides a light, porous cell structure, fine grain, and a texture with desirable appearance along with palatability to baked goods. There are essentially two components in a chemical leavening system: bicarbonate that supplies carbon dioxide gas and an acid that triggers the liberation of carbon dioxide from bicarbonate upon contact with moisture. Sodium bicarbonate (baking soda) is the primary source of carbon dioxide gas in practically all chemical leavening systems. The prevalent baking acids in modern chemical leavening systems are sodium or calcium salts of ortho, pyro, and complex phosphoric acids. Baking soda determines the amount of carbon dioxide evolved, whereas the type of acid controls the speed of liberation. By far, the greatest use of leavening in the home is in preleavened mixes. Pancake, biscuit, and cake mixes have long been established as commercial products. Sales of frozen or refrigerated doughs and batters have increased rapidly in recent years. This trend is attributable to increased refrigeration and freezer capacity in stores and to the development of new and improved ingredients. Practically all of the leavening acids used in the mix industry today are of the phosphate type. The blending of baking powder is essentially a physical mixing of the various components in a large‐scale batch mixer and is often carried out in automated plants.
Fat Replacers
Authors: Shahidi Fereidoon , Senanayake S. P. J. Namal 
Published: April 2007

AbstractThere is a growing body of evidence suggesting that high fat intake may specifically contribute to heart disease, overweight, and obesity. Dietary recommendations are to reduce the current fat intake to 20–35% of total calories. In response to consumer demands for low calorie or calorie‐free fats, a wide array of fat replacers have been developed. Fat replacers are substances that contribute a similar mouthfeel, texture, or flavor to a food product as normal fat. There are three major fat‐replacement ingredient categories: carbohydrate, protein, and fat based. Carbohydrate‐ and protein‐based fat replacers provide 0–4 kcal/g. The major carbohydrate‐based fat replacers include starches, maltodextrins, polydextrose, pectin, gums, and other dietary fibers. Examples of protein‐based fat replacers are microparticulated protein, gelatin, and modified–denatured proteins. Some fat‐based ingredients, eg, caprenin, salatrim, bohenin, and medium‐chain triacylgycerols, are actually fats tailored to contribute fewer calories and less available fat to foods. Lipid analogues, eg, olestra, sorbestrin, and polyglycerol esters, are structurally modified to provide fewer or no calories. With successful marketing and improvements in process technology and quality, fat replacers will have a considerable impact upon most sectors in the food industry. The different types of fat replacers are reviewed with respect to their synthesis, chemical composition, caloric value, metabolism, and applications.
Pituitary abnormalities in Prader–Willi syndrome and early onset morbid obesity
Authors: Miller Jennifer L. , Goldstone Anthony P. , Couch Jessica A. , Shuster Jonathan , He Guojun , Driscoll Daniel J. , Liu Yijun , Schmalfuss Ilona M. 
Published: April 2007

AbstractPrader–Willi syndrome (PWS) is a well‐defined syndrome of childhood‐obesity which can serve as a model for investigating early onset childhood obesity. Many of the clinical features of PWS (e.g., hyperphagia, hypogonadotropic hypogonadism, growth hormone deficiency) are hypothesized to be due to abnormalities of the hypothalamus and/or pituitary gland. Children who become severely obese very early in life (i.e., before age 4 years) may also have a genetic etiology of their obesity, perhaps with associated neuroendocrine and hypothalamo‐pituitary defects, as infants and very young children have limited access to environmental factors that contribute to obesity. We hypothesized that morphologic abnormalities of the pituitary gland would be seen in both individuals with PWS and other subjects with early onset morbid obesity (EMO). This case‐control study included individuals with PWS (n = 27, age 3 months to 39 years), patients with EMO of unknown etiology (n = 16, age 4–22 years; defined as body mass index greater than the 97th centile for age before age 4 years), and normal weight siblings (n = 25, age 7 months to 43 years) from both groups. Participants had 3‐dimensional magnetic resonance imaging to evaluate the pituitary gland, a complete history and physical examination, and measurement of basal pituitary hormones. Subjects with PWS and EMO had a higher prevalence of pituitary morphological abnormalities than did control subjects (74% PWS, 69% EMO, 8% controls; P < 0.001). Anterior pituitary hormone deficiencies were universal in individuals with PWS (low IGF‐1 in 100%, P < 0.001 PWS vs. controls; central hypothyroidism in 19%, P = 0.052, and hypoplastic genitalia or hypogonadotropic hypogonadism in 100%, P < 0.001), and was often seen in individuals with EMO (6%, P = 0.89 vs. control, 31%, P = 0.002, and 25%, P = 0.018, respectively). The presence of a hypoplastic pituitary gland appeared to correlate with the presence of anterior pituitary hormone deficiencies in individuals with EMO, but no correlation was apparent in individuals with PWS. In conclusion, the high frequency of both morphological and hormonal abnormalities of the pituitary gland in both individuals with PWS and EMO suggests that abnormalities in the hypothalamo‐pituitary axis are features not only of PWS, but also frequently of EMO of unknown etiology. © 2007 Wiley‐Liss, Inc.