bluuebunny/crossref_metadata_2025_split huggingface dataset:
Material Flow Networks as a Means of Optimizing Production Systems
Authors: Lambrecht H. , Schmidt M. 
Published: January 2010

AbstractMaterial flow networks are a specific technique for material flow analysis. Software tools based on this method have been used by many companies to analyze and improve complex production systems. While their intuitive modeling approach strongly enhances the identification of optimization potentials, automatic model optimization is not yet possible. The KOMSA project has closed this important methodological and instrumental gap. This article presents the developed prototype of a material flow‐based optimization tool. We provide numerical results on the convergence of the implemented optimization algorithms. The added value of integrating optimization with material flow analysis is illustrated by applying the software tool to a real optimization problem from the waste industry.
On the Coherent Description of Diffusion‐Influenced Fluorescence Quenching Experiments II: Early Events
Authors: Angulo Gonzalo , Kattnig Daniel R. , Rosspeintner Arnulf , Grampp Günter , Vauthey Eric 
Published: January 2010

AbstractIn a previous article we showed how to perform and analyze steady‐state and nanosecond time‐resolved experiments on fluorescence quenching by electron transfer in a coherent manner. Now, by making use of a superior time resolution, we explore the first stages of this kind of reaction. The novel information gained enables us to merge the results on the viscosity and the driving‐force dependencies of the reaction rate. A unique set of parameters for a single reaction channel suffices to describe all the results in the frame of differential encounter theory for diffusion‐influenced, bimolecular, remote electron‐transfer reactions. The inclusion of the solvent structure is crucial for the understanding of the reaction kinetics. To the authors’ best knowledge, this is the first time that such a comprehensive set of data has been successfully and jointly explained in the field, with physically sound parameters for electron‐transfer reactions.
Guanidinium Alkynesulfonates with Single‐Layer Stacking Motif: Interlayer Hydrogen Bonding Between Sulfonate Anions Changes the Orientation of the Organosulfonate R Group from “Alternate Side” to “Same Side”
Authors: Bouchmella Karim , Dutremez Sylvain G. , Guérin Christian , Longato Jean‐Christophe , Dahan Françoise 
Published: January 2010

AbstractHydrolyses of HCCSO3SiMe3 (1) and CH3CCSO3SiMe3 (2) lead to the formation of acetylenic sulfonic acids HCCSO3H⋅2.33 H2O (3) and CH3CCSO3H⋅1.88 H2O (4). These acids were reacted with guanidinium carbonate to yield [+C(NH2)3][HCCSO3−] (5) and [+C(NH2)3][CH3CCSO3−] (6). Compounds 1–6 were characterized by spectroscopic methods, and the X‐ray crystal structures of the guanidinium salts were determined. The X‐ray results of 5 show that the guanidinium cations and organosulfonate anions associate into 1D ribbons through ${{\rm R}{{2\hfill \atop 2\hfill}}}$(8) dimer interactions, whereas association of these ions in 6 is achieved through ${{\rm R}{{2\hfill \atop 2\hfill}}}$(8) and ${{\rm R}{{1\hfill \atop 2\hfill}}}$(6) interactions. The ribbons in 5 associate into 2D sheets through ${{\rm R}{{2\hfill \atop 2\hfill}}}$(8) dimer interactions and ${{\rm R}{{3\hfill \atop 6\hfill}}}$(12) rings, whereas those in 6 are connected through ${{\rm R}{{1\hfill \atop 2\hfill}}}$(6) and ${{\rm R}{{2\hfill \atop 2\hfill}}}$(8) dimer interactions and ${{\rm R}{{4\hfill \atop 6\hfill}}}$(14) rings. Compound 6 exhibits a single‐layer stacking motif similar to that found in guanidinium alkane‐ and arenesulfonates, that is, the alkynyl groups alternate orientation from one ribbon to the next. The stacking motif in 5 is also single‐layer, but due to interlayer hydrogen bonding between sulfonate anions, the alkynyl groups of each sheet all point to the same side of the sheet.
An Efficient Fluorescence Resonance Energy Transfer (FRET) between Pyrene and Perylene Assembled in a DNA Duplex and Its Potential for Discriminating Single‐Base Changes
Authors: Kashida Hiromu , Takatsu Tomohiko , Sekiguchi Koji , Asanuma Hiroyuki 
Published: January 2010

AbstractTo increase the apparent Stokes’ shift of perylene, pyrene (donor) and perylene (acceptor) were assembled in a DNA duplex to achieve the efficient fluorescence resonance energy transfer (FRET) from pyrene to perylene. Multiple donors were introduced in the vicinity of acceptors through D‐threoninol and natural base pairs were inserted between the dyes. Accordingly, donors and acceptors could be accumulated inside the DNA without forming an undesired excimer/exciplex. When two pyrene moieties were located in proximity to one perylene with one base pair inserted between them, efficient FRET occurred within the duplex. Thus, strong emission at 460 nm was observed from perylene when excited at 345 nm at which pyrene has its absorption. The apparent Stokes’ shift became as large as 115 nm with a high apparent FRET efficiency (Φ>1). However, the introduction of more than two pyrenes did not enhance the fluorescence intensity of perylene, due to the short Förster radius (R0) of the donor pyrene. Next, this FRET system was used to enlarge the Stokes’ shift of the DNA probe, which can discriminate a one‐base deletion mutant from wild type with a model system by incorporation of multiple donors into DNA. Two perylene moieties were tethered to the DNA on both sides of the intervening base, and two pyrenes were further inserted in the vicinity of the perylenes as an antenna. Hybridization of this FRET probe with a fully matched DNA allowed monomer emission of perylene when the pyrenes were excited. In contrast, excimer emission was generated by hybridization with a one‐base deletion mutant. Thus, the apparent Stokes’ shift was enhanced without loss of efficiency in the detection of the deletion mutant.
Evolution of Surface Morphology with Introduction of Stacking Faults in Zeolites
Authors: John Neena S. , Stevens Sam M. , Terasaki Osamu , Anderson Michael W. 
Published: January 2010

AbstractThis paper sets out to try to determine some of the nanoscopic details of template action in zeolites. The problem has been addressed by monitoring the effects of competitive templating using, in particular, atomic force microscopy and high‐resolution scanning electron microscopy. Using these techniques, it is possible to determine the subtle crystal growth changes that occur as a result of altering the concentration of these competitive templating agents. This work concerns the two important intergrowth systems MFI–MEL and FAU–EMT. It was found that some organic templating agents provide much greater structure‐directing specificity. So much so in the case of the MFI–MEL system that a 2 mol % doping with the highly specific tetrapropylammonium cation drastically changes the fundamental growth processes. Furthermore, the effect of template crowding is shown to reduce specificity. This work shows how extensive frustrated intergrowth structures can still be accommodated within a nominal zeolite single crystal.
Regulatory Peptides Are Susceptible to Oxidation by Metallic Impurities within Carbon Nanotubes
Authors: Ambrosi Adriano , Pumera Martin 
Published: January 2010

AbstractIn this article, we show that the redox properties of the regulatory peptide L‐glutathione are affected by the presence of nickel oxide impurities within single‐walled carbon nanotubes (SWCNTs). Glutathione is a powerful antioxidant that protects cells from oxidative stress by removing free radicals and peroxides. We show that the L‐cysteine moiety in L‐glutathione is responsible for the susceptibility to oxidation by metallic impurities present in the carbon nanotubes. These results have great significance for assessing the toxicity of carbon‐nanotube materials. The SWCNTs were characterized by Raman spectroscopy, high‐resolution X‐ray photoelectron spectroscopy, transmission electron microscopy, and energy dispersive X‐ray spectroscopy.
Facile Synthetic Access to Rhenium(II) Complexes: Activation of Carbon–Bromine Bonds by Single‐Electron Transfer
Authors: Jiang Yanfeng , Blacque Olivier , Fox Thomas , Frech Christian M. , Berke Heinz 
Published: January 2010

AbstractThe five‐coordinated ReI hydride complexes [Re(Br)(H)(NO)(PR3)2] (R=Cy 1 a, iPr 1 b) were reacted with benzylbromide, thereby affording the 17‐electron mononuclear ReII hydride complexes [Re(Br)2(H)(NO)(PR3)2] (R=Cy 3 a, iPr 3 b), which were characterized by EPR, cyclic voltammetry, and magnetic susceptibility measurements. In the case of dibromomethane or bromoform, the reaction of 1 afforded ReII hydrides 3 in addition to ReI carbene hydrides [Re(CHR1)(Br)(H)(NO)(PR3)2] (R1=H 4, Br 5; R=Cy a, iPr b) in which the hydride ligand is positioned cis to the carbene ligand. For comparison, the dihydrogen ReI dibromide complexes [Re(Br)2(NO)(PR3)2(η2‐H2)] (R=Cy 2 a, iPr 2 b) were reacted with allyl‐ or benzylbromide, thereby affording the monophosphine ReII complex salts [R3PCH2R′][Re(Br)4(NO)(PR3)] (R′=CHCH2 6, Ph 7). The reduction of ReII complexes has also been examined. Complex 3 a or 3 b can be reduced by zinc to afford 1 a or 1 b in high yield. Under catalytic conditions, this reaction enables homocoupling of benzylbromide (turnover frequency (TOF): 3 a 150, 3 b 134 h−1) or allylbromide (TOF: 3 a 575, 3 b 562 h−1). The reaction of 6 a and 6 b with zinc in acetonitrile affords in good yields the monophosphine ReI complexes [Re(Br)2(NO)(MeCN)2(PR3)] (R=Cy 8 a, iPr 8 b), which showed high catalytic activity toward highly selective dehydrogenative silylation of styrenes (maximum TOF of 61 h−1). Single‐electron transfer (SET) mechanisms were proposed for all these transformations. The molecular structures of 3 a, 6 a, 6 b, 7 a, 7 b, and 8 a were established by single‐crystal X‐ray diffraction studies.
Acid–Base Controllable Recognition Properties of a Highly Versatile Calix[6]crypturea
Authors: Ménand Mickaël , Jabin Ivan 
Published: January 2010

AbstractVersatile concave receptors with binding properties that can be controlled by external stimuli are rare. Herein, we report on a calix[6]crypturea (1) that features two different binding sites in close proximity, that is, a tris(2‐aminoethyl)amine (tren)‐based tris‐ureido cap that provides convergent hydrogen‐bond‐donor sites and a hydrophobic cavity suitable for the inclusion of organic guests. The binding properties of this heteroditopic receptor have been evaluated by NMR spectroscopic studies. Compound 1 behaves as a remarkably versatile host that strongly binds neutral molecules, anions, or contact ion pairs. Within each family of guests, compound 1 is able to discriminate between different guests with a high degree of selectivity. Indeed, neutral molecules that possess hydrogen‐bond donor and acceptor groups, chloride anions, and linear ammonium ions associated to F− or Cl− are particularly well recognized. In comparison with all the related receptors, compound 1 displays several unique features: 1) charged or neutral species are also recognized in polar or protic solvents, 2) thanks to the flexibility of the calixarene structure, induced‐fit processes allow the binding of large, biologically relevant ammonium salts such as neurotransmitters, and 3) the protonation of the basic cap leads to a positively charged receptor, 1⋅H+, which is reluctant to host anions and in which host properties are now governed by strong charge–dipole interactions with the guests. In other words, compound 1 presents an acid–base controllable tris‐ureido recognition site protected by a hydrophobic corridor that can select guests through induced‐fit processes. Thus, its versatile host properties can be allosterically controlled by protonation and selective guest‐switching processes are possible. To illustrate all these remarkable features, a sophisticated three‐pole supramolecular switch, based on the interconversion of host–guest systems displaying either charged or neutral guests, is described.
Untersuchungen zur strukturierten Verteilung von zwei katalytischen Funktionalitäten am Beispiel eines Zwei‐Enzym‐Systems
Authors: Grünewald M. , Hünnemann D. , Agar D. W. 
Published: January 2010

AbstractGegenstand der vorgestellten Forschungsarbeiten ist eine enzymatische Cofaktorregenerierung auf der Basis immobilisierter Enzyme. Ziel der Studien war es, die Eignung immobilisierter, enzymatischer Aktivitäten zum Einsatz in multifunktionalen Reaktoren zu untersuchen. Dabei stand die Motivation im Vordergrund, die ansonsten in Enzym‐Membranreaktoren homogen katalysierten Reaktionen in das Innere der Trägerpartikel zu verlegen und auf diese Weise den Regenerationszyklus des Cofaktors innerhalb der Partikelphase zum Beispiel mithilfe einer Kern‐Schale‐Anordnung der immobilisierten Enzyme zu realisieren. Neben Simulationsstudien wurden insbesondere ausführliche experimentelle Untersuchungen zur Immobilisierung zweier Enzyme und zur Coimmobilisierung des Zwei‐Enzym‐Systems durchgeführt. Als experimentelles Beispielstoffsystem wurde die enzymatische Produktion der Aminosäure L‐Alanin mithilfe der beiden Enzyme Alanindehydrogenase und Formiatdehydrogenase gewählt.
Physician factors associated with discussions about end‐of‐life care
Authors: Keating Nancy L. , Landrum Mary Beth , Rogers Selwyn O. , Baum Susan K. , Virnig Beth A. , Huskamp Haiden A. , Earle Craig C. , Kahn Katherine L. 
Published: January 2010

AbstractBACKGROUND:Guidelines recommend advanced care planning for terminally ill patients with <1 year to live. Few data are available regarding when physicians and their terminally ill patients typically discuss end‐of‐life issues.METHODS:A national survey was conducted of physicians caring for cancer patients about timing of discussions regarding prognosis, do not resuscitate (DNR) status, hospice, and preferred site of death with their terminally ill patients. Logistic regression was used to identify physician and practice characteristics associated with earlier discussions.RESULTS:Among 4074 respondents, 65% would discuss prognosis “now” (defined as patient has 4 months to 6 months to live, asymptomatic). Fewer would discuss DNR status (44%), hospice (26%), or preferred site of death (21%) immediately, with most physicians waiting for patient symptoms or until there are no more treatments to offer. In multivariate analyses, younger physicians more often discussed prognosis, DNR status, hospice, and site of death “now” (all P < .05). Surgeons and oncologists were more likely than noncancer specialists to discuss prognosis “now” (P = .008), but noncancer specialists were more likely than cancer specialists to discuss DNR status, hospice, and preferred site of death “now” (all P < .001).CONCLUSIONS:Most physicians report they would not discuss end‐of‐life options with terminally ill patients who are feeling well, instead waiting for symptoms or until there are no more treatments to offer. More research is needed to understand physicians' reasons for timing of discussions and how their propensity to aggressively treat metastatic disease influences timing, as well as how the timing of discussions influences patient and family experiences at the end of life. Cancer 2010. © 2010 American Cancer Society.
Frequent central nervous system failure after clinical benefit with epidermal growth factor receptor tyrosine kinase inhibitors in Korean patients with nonsmall‐cell lung cancer
Authors: Lee Young Joo , Choi Hye Jin , Kim Se Kyu , Chang Joon , Moon Jin Wook , Park In Kyu , Kim Joo‐Hang , Cho Byoung Chul 
Published: January 2010

AbstractBACKGROUND:We investigated the risk of central nervous system (CNS) failure after clinical benefit with epidermal growth factor receptor tyrosine kinase inhibitors (EGFR‐TKIs) in Korean patients with nonsmall‐cell lung cancer (NSCLC)METHODS:We retrospectively evaluated the pattern of disease progression of 287 advanced NSCLC patients who were treated with gefitinib or erlotinib. Patients whose best tumor response was complete response, partial response, or stable disease (≥90 days) were classified into the group receiving clinical benefit with these drugs.RESULTS:The clinical benefit group had a higher incidence of CNS failure as an initial progression, compared with the non‐clinical benefit group (26% vs 4%; P < .001). Isolated CNS failure was also more frequent in the clinical benefit group than in the non‐clinical benefit group (13% vs 1%; P < .001). In a multivariate analysis, clinical benefit with EGFR‐TKIs significantly increased the risk of isolated CNS failure, with an adjusted hazard ratio of 10.9 (95% confidence interval [CI], 1.4‐29.1, P = .01). In patients with isolated CNS failure, the median time from initial intracranial failure to extracranial failure was 9.9 months (95% CI, 1.9‐21.9 months) and to death was 12.9 months (95% CI, 3.3‐22.5 months).CONCLUSIONS:The CNS was frequently the initial failure site after clinical benefit with EGFR‐TKIs in Korean NSCLC patients. Patients with isolated CNS failure showed durable extracranial control after cranial progression. A role for close surveillance of the CNS during EGFR‐TKI treatment or prophylactic measures appears worthy of further study in these patients. Cancer 2010. © 2010 American Cancer Society.
Is delayed radical prostatectomy in men with low‐risk screen‐detected prostate cancer associated with a higher risk of unfavorable outcomes?
Authors: van den Bergh Roderick C. N. , Steyerberg Ewout W. , Khatami Ali , Aus Gunnar , Pihl Carl Gustaf , Wolters Tineke , van Leeuwen Pim J. , Roobol Monique J. , Schröder Fritz H. , Hugosson Jonas 
Published: January 2010

AbstractBACKGROUND:Strategies of active surveillance (AS) of low‐risk screen‐detected prostate cancer have emerged, because the balance between survival outcomes and quality of life issues when radically treating these malignancies is disputable. Delay before radical treatment caused by active surveillance may be associated with an impaired chance of curability.METHODS:Men diagnosed with low‐risk (T1c/T2; prostate‐specific antigen [PSA] = <10.0; PSA density, <0.2 ng/mL; Gleason score, 3 + 3=6; 1‐2 positive biopsies) prostate cancer in the Swedish section of the European Randomized Study of Screening for Prostate Cancer who received radical prostatectomy (RP) were studied. One group received immediate RP, whereas another group received delayed RP after an initial period of expectant management. These groups were compared regarding histopathological and biochemical outcomes, correcting for baseline differences.RESULTS:Mean follow‐up after diagnosis was 5.7 years (standard deviation [SD], 3.2). The immediate RP group (n = 158) received RP a mean of 0.5 (SD, 0.2) years after diagnosis; the delayed RP group (n = 69) received RP after 2.6 (SD, 2.0) years (P < .001). After adjustment for small baseline dissimilarities, no differences in RP frequencies of Gleason score >6 (odds ratio [OR], 1.54; P = .221), capsular penetration (OR, 2.45; P = .091), positive margins (OR, 1.34; P = .445), RP tumor volume (difference, 0.099; P = .155), or biochemical progression rates (P = .185, P = .689) were found between groups, although all data were in favor of immediate RP.CONCLUSIONS:With limited patient numbers available for analysis, differences in intermediate outcomes between immediate RP and delayed RP were nonsignificant. The delayed RP group may be subject to a selection bias. Prospective evaluation of active surveillance protocols is essential. Cancer 2010. © 2010 American Cancer Society.
Therapeutic equivalence in survival for hepatic arterial chemoembolization and yttrium 90 microsphere treatments in unresectable hepatocellular carcinoma
Authors: Carr Brian I. , Kondragunta Venkateswarlu , Buch Shama C. , Branch Robert A. 
Published: January 2010

AbstractBACKGROUND:Intrahepatic arterial yttrium 90 (90Y) microspheres have been proposed as a less toxic, less invasive therapeutic option to transhepatic arterial chemoembolization (TACE) for patients with surgically unresectable hepatocellular carcinoma (HCC). TACE has demonstrated the ability to prolong survival. However, long‐term survival remains uncertain.METHODS:In a 2‐cohort experience in the treatment of North American patients who had advanced, unresectable, biopsy‐proven HCC, 691 patients received repetitive, cisplatin‐based chemoembolization; and a separate cohort of 99 patients who had similar treatment criteria received a planned, single dose of 90Y. Over the study period, an additional 142 patients were followed without treatment (total, 932 patients).RESULTS:Overall survival was slightly better in the 90Y group compared with the TACE group (median survival, 11.5 months vs 8.5 months). However, the selection criteria indicated a small but significant bias toward milder disease in the 90Y group. By using stratification into a 3‐tier model with patients dichotomized according to bilirubin levels <1.5 mg/dL, the absence of portal vein thrombosis (PVT), and low α‐fetoprotein plasma levels (<25 U/dL), an analysis of survival in clinical subgroups indicated that the 2 treatments resulted in similar survival. In addition, patients who had PVT or high α‐fetoprotein levels also had similar survival in both treatment groups.CONCLUSIONS:Given the current evidence of therapeutic equivalence in survival, 90Y and TACE appeared to be equivalent regional therapies for patients with unresectable, nonmetastatic HCC. Cancer 2010. © 2010 American Cancer Society.
A Phenolic Antioxidant Releasing Nitric Oxide on Demand (Eur. J. Org. Chem. 3/2010)
Authors: Vittorino Elisa , Sortino Salvatore 
Published: January 2010

AbstractThe cover picture shows a novel molecular conjugate that merges radical scavenging properties with the ability to release nitric oxide (NO) under the control of visible light stimuli. This compound consistes of a catecholic unit, as an antioxidant centre, that is joined to a nitroaniline derivative, as a suitable NO photodonor, through an alkyl spacer. Suitable choice of the two independent units allows preservation of their single properties once merged into the same molecular skeleton, offering the possibility of joining two functional molecules in a single compound without loss of their effectiveness. Details are discussed in the article by E. Vittorino and S. Sortino on p. 421 ff.
Mit oder ohne Chemotherapie?
Authors: Vetter Martina , Thomssen Christoph , Harbeck Nadia , änicke Fritz 
Published: January 2010

AbstractBrustkrebs: Über zwei Jahrzehnte untersuchten klinische Forscher bei erkrankten Frauen die beiden Invasionsmarker uPA und PAI‐I. Die Langzeitstudien erlauben eine bessere Risikoabschätzung und individuellere Behandlungen der Patientinnen
Die Wetter‐Zurücksage
Authors: Schneider von Deimling Thomas , Rahmstorf Stefan 
Published: January 2010

AbstractAus der Klimageschichte lernen: Seit Jahrhunderten werden Temperaturschwankungen und Treibhausgaskonzentrationen erfasst. Potsdamer Forscher nutzen die Messwerte der Vergangenheit, um die Zukunftsszenarien zur globalen Erwärmung zu optimieren
Retracted: Determinants of project success among HIV/AIDS nongovernmental organizations (NGOs) in Rakai, Uganda
Authors: Bechange Stevens 
Published: January 2010

AbstractThe aim of the study was to identify the main determinants of grassroots project success among HIV/AIDS NGOs operating in Rakai, Uganda. It was a cross‐sectional study using face‐to‐face interviews in a mixed‐methods approach among community members and NGOs involved in providing HIV/AIDS and related health services. The study found that the success of grassroots projects of HIV/AIDS NGOs essentially relies on adequate financial resources, competent human resources, strong organizational leadership, and NGO networking. These data suggest that to increase grassroots project success, HIV and AIDS NGOs in Rakai need to improve not only the budget base and human capacities but as well decision‐making processes, organizational vision, mission and strategies, gender allocation in staffing, and beneficiary involvement. Copyright © 2010 John Wiley & Sons, Ltd.