bluuebunny/crossref_metadata_2025 huggingface dataset:
Simulation einer prädiktiven Raumtemperaturregelung unter Verwendung einer idealen Wettervorhersage
Authors: Görtler Gregor , Beigelböck Barbara
Published: November 2010

Durch die Anwendung von prädiktiven Regelalgorithmen (Model Predictive Control MPC) für die Raumheizung versprechen sich Errichter und Betreiber eine nennenswerte Energieeinsparung. Mittels einer Simulation soll für einen ausgewählten Fall das Energieeinsparpotential eines prädiktiven Regelalgorithmus zur Raumtemperaturregelung unter Verwendung einer idealen Wettervorhersage im Vergleich zu gängigen Algorithmen wie z. B. PI‐Regler oder Zweipunktregler abgeschätzt werden. Als Regelstrecke mit der Regelgröße Raumtemperatur dient ein Raum mit Fußbodenheizung, der in TRNSYS modelliert wurde. Mittels geeigneter Identifikationsmethoden wurde ein lineares Zustandsraummodell der Regelstrecke entworfen, welches vom prädiktiven Regelalgorithmus, der in MATLAB programmiert wurde, verwendet wird. Durch Einbindung eines Referenzwetterdatensatzes aus der TRNSYS‐Bibliothek, welcher dem Regelalgorithmus zur Verfügung gestellt wird, sind alle relevanten Wetterdaten bereits im Voraus bekannt (ideale Wettervorhersage). Für die in diesem Beitrag betrachtete Konfiguration ergab sich ein Energieeinsparpotential von ca. 10 % pro Jahr bei der Verwendung eines MPCReglers, verglichen mit einem PI‐Regler.

Simulation of a model predictive room temperature control by use of an ideal weather forecast. Due to the use of MPC (Model Predictive Control) for room heating applications users and constructors expect nameable energy savings. By usage of a simulation for a special case the energy saving potential of predictive control algorithm for room temperature control in connection with an ideal weather forecast, in comparison to established algorithms (PI‐control, two level controller) is estimated. The controlled system with the control variable room temperature is a room with floor heating which was modelled in TRNSYS. A linear state space model of the controlled system was derived with suitable identification methods. This model was used by the predictive control algorithm, which was programmed in MATLAB. The weather data was taken from the TRNSYS library and has been made available also for the control algorithm, so that an ideal weather forecast was established. For the example considered in this paper, the amount of energy saving was 10 % per year with the MPC‐controller compared to a PI‐controller.
Nucleic‐acid structural deformability deduced from anisotropic displacement parameters
Authors: Peckham Heather E. , Olson Wilma K.
Published: November 2010

The growing numbers of very well resolved nucleic‐acid crystal structures with anisotropic displacement parameters provide an unprecedented opportunity to learn about the natural motions of DNA and RNA. Here we report a new Monte‐Carlo approach that takes direct account of this information to extract the distortions of covalent structure, base pairing, and dinucleotide geometry intrinsic to regularly organized double‐helical molecules. We present new methods to test the validity of the anisotropic parameters and examine the apparent deformability of a variety of structures, including several A, B, and Z DNA duplexes, an AB helical intermediate, an RNA, a ligand‐DNA complex, and an enzyme‐bound DNA. The rigid‐body parameters characterizing the positions of the bases in the structures mirror the mean parameters found when atomic motion is taken into account. The base‐pair fluctuations intrinsic to a single structure, however, differ from those extracted from collections of nucleic‐acid structures, although selected base‐pair steps undergo conformational excursions along routes suggested by the ensembles. The computations reveal surprising new molecular insights, such as the stiffening of DNA and concomitant separation of motions of contacted nucleotides on opposite strands by the binding ofEscherichia coliendonuclease VIII, which suggest how the protein may direct enzymatic action. © 2010 Wiley Periodicals, Inc. Biopolymers 95: 254–269,2011.
Encapsulation of Dye Molecules and Nanoparticles in Hollow Organogel Fibers of a Nonchiral Polyurethane Model Compound
Authors: Khan Mostofa Kamal , Sundararajan Pudupadi
Published: November 2010

We present the case of a nonchiral organogelator that forms hollow fibers and encapsulates silver nanoparticles (SNP) and a dye molecule. The biscarbamate molecule (a model compound for polyurethanes), which has two hydrogen‐bonding motifs symmetrically attached to n‐dodecyl side chains (C12), gels benzonitrile with hollow fibrillar morphology. The C12 molecules form sheets that eventually wrap into hollow fibers to form the gel network. Herein, two‐component gels were prepared with C12 as one component and SNP, phthalocyanine (Pc), or perylene (Pe) as the other. Microscopic analysis and partial melting experiments confirmed the inclusion of the silver nanoparticles and phthalocyanine into the hollow fibers. On the other hand, Pe molecules tend to form crystals at the outer surface of the C12 fibers, which results in a significant increase in the width of the gel fibers. This difference in the behavior of Pc and Pe molecules were accounted for by their crystal geometry and significantly different crystal growth rate compared with that of C12 fiber formation in the gels. Pc crystallizes in a needle shape that facilitates occlusion in the gel fibers, whereas Pe forms large platelets. X‐ray diffraction and spectroscopic analysis of the two‐component gels along with their neat components confirmed that there was no change in the packing behavior of the Pc and Pe molecules in the gels. Therefore, these are examples of two‐component physical gels in which the Pc crystals are occluded within the hollow fibers of C12 by physical mixing of the components without the aid of any inter‐molecular interactions between the different components. We have thus shown that lumen‐loaded gel fibers with nanoparticles and dye molecules can be prepared by the two‐component gel route, provided that the above growth rate, shape, and size conditions are satisfied.
Emerging subject for chiral separation science: Cluster boron compounds
Authors: Horáková Hana , Grüner Bohumír , Vespalec Radim
Published: November 2010

The structural chirality is an inherent feature of fully synthetic boron cluster compounds that sometimes exhibit unique biochemical effects. HPLC studies with zwitter‐ionic cluster boron compounds and electrophoretic studies with boron cluster anions reveal that the chiral separability of these species is remarkably dissimilar to that of organic species, if uncharged cyclodextrins are used as chiral selectors. Furthermore, marked differences were found between the analytical characteristics of the chiral separations of the boron cluster species and those of the organic species with uncharged cyclodextrins. The present‐day experimental database indicates that the rules valid for the chiral separations of the organic species cannot be applied to the chiral separations of the boron cluster species without experimental verification. The current extent of research work devoted to the investigation of chirality and chiral separations of boron cluster species is negligibly small in comparison with that devoted to the investigation of chirality and chiral separations of organic species. This makes difficult a reliable explanation of both the particularities observed in chiral separations of boron cluster species with cyclodextrins as chiral selectors and the strange effects related to these separations at the moment. Chirality, 2011. © 2010 Wiley‐Liss, Inc.
Radio‐wave Supported Thermal Treatment as New Technology for Drying and Decontamination of Building Components
Authors: Roland Ulf , Holzer Frank , Trommler Ulf , Pfütze Christian , Kopinke Frank‐Dieter , Pfütze Christian , Freytag Olaf
Published: November 2010

Die direkte dielektrische Erwärmung mittels Radiowellen, d. h. hochfrequenten elektromagnetischen Wellen, wurde erfolgreich für den Anwendungsbereich der Bauwerkssanierung getestet. Es konnte gezeigt werden, dass mit dieser Methode so unterschiedliche Materialien wie Sandstein und Faserbeton kontrolliert, homogen und effizient bis zu Temperaturen von mehr als 100 °C erwärmt werden können. Dies erlaubt beispielsweise eine Trocknung dieser Materialien ohne mechanische Eingriffe. Durch Einbettung von Formkörpern in eine geeignete Materialschüttung ist diese Methode auch für unregelmäßig geformte Strukturen anwendbar, was einen Einsatz im Bereich der Denkmalpflege ermöglicht.
Phase 2 study of dasatinib in the treatment of head and neck squamous cell carcinoma
Authors: Brooks Heather D. , Glisson Bonnie S. , Bekele B. Nebiyou , Ginsberg Lawrence E. , El‐Naggar Adel , Culotta Kirk S. , Takebe Naoko , Wright John , Tran Hai T. , Papadimitrakopoulou Vassiliki A.
Published: November 2010

BACKGROUND:

Treatment options for patients with advanced head and neck squamous cell carcinoma (HNSCC) are scarce. This phase 2 study was conducted to evaluate the safety, tolerability, pharmacokinetics, and efficacy of dasatinib in this setting.

METHODS:

Patients with recurrent and/or metastatic HNSCC after platinum‐based therapy were treated with dasatinib either orally or via percutaneous feeding gastrostomy (PFG). Primary endpoints were 12‐week progression‐free survival (PFS) and objective response rate with a 2‐stage design and early withdrawal if the 12‐week PFS rate was ≤20% and no patients had an objective response (OR). Forty‐nine serum cytokines and angiogenic factors (CAFs) were analyzed from treated patients.

RESULTS:

Of the 15 patients enrolled, 12 were evaluable for response, and all patients were evaluable for toxicity. No OR was observed and 2 patients (16.7%) had stable disease (SD) at 8 weeks. The median treatment duration was 59 days, the median time to disease progression was 3.9 weeks, and the median survival was 26 weeks. One patient required a dose reduction, 3 patients required dose interruptions, and 4 patients were hospitalized for toxicity. Dasatinib inhibited c‐Src both when administered orally and via PFG. Greater mean drug exposure, decreased half‐life, and greater maximum concentration were observed in patients receiving dasatinib via PFG. Eleven baseline CAFs were associated with treatment outcome and 1 CAF, macrophage migration inhibitory factor, was found to be differentially modulated in correlation with SD versus disease progression.

CONCLUSIONS:

Single‐agent dasatinib failed to demonstrate significant activity in patients with advanced HNSCC, despite c‐Src inhibition. The toxicity profile was consistent with that reported in other solid tumors, and the drug can be given via PFG tube. Cancer 2011. © 2010 American Cancer Society.
Etiologic role of human papillomavirus infection in bladder carcinoma
Authors: Shigehara Kazuyoshi , Sasagawa Toshiyuki , Kawaguchi Shohei , Nakashima Takao , Shimamura Masayoshi , Maeda Yuji , Konaka Hiroyuki , Mizokami Atsushi , Koh Eitetsu , Namiki Mikio
Published: November 2010

BACKGROUND:

The authors elucidated an etiologic role of human papillomavirus (HPV) infection in carcinoma of the bladder.

METHODS:

One hundred seventeen of 224 patients with bladder carcinoma who were treated between 1997 and 2009 were enrolled in this study. The presence of HPV DNA was tested on frozen carcinoma tissues that were obtained by transurethral resection using a polymerases chain reaction‐based method. Localization of HPV was observed on archival tissue specimens by in situ hybridization (ISH) for high‐risk HPV DNA. Cyclin‐dependent kinase (CDK) inhibitor 2A (inhibits CDK4) (p16‐INK4a) and minichromosome maintenance protein‐7 (mcm‐7)—surrogate markers for high‐risk HPV‐E7 oncoprotein—and HPV‐L1 (capsid) protein expression were evaluated by immunohistochemistry.

RESULTS:

HPV types 16, 18, 31, 33, 52, and 58, and an unknown HPV type were detected in 18 of 117 samples (15%) from patients with bladder carcinoma. HPV16 was identified in 6 samples, HPV18 was identified in 4 samples, and HPV33 was identified in 3 samples. All were single HPV type infections. HPV was detected in 38% (12 of 28) of histologic grade 1 bladder carcinomas, 8.5% (6 of 71) of grade 2 bladder carcinomas, and in 0% (0 of 18) of grade 3 bladder carcinomas. Multivariate analysis indicated that younger age (<60 years; odds ratio [OR], 10.9; 95% confidence interval [CI], 2.6‐45.3) and grade 1 tumors (OR, 4.5; 95% CI, 1.2‐17.0) were associated with HPV infection. ISH analysis indicated that high‐risk HPV DNA was localized in the nuclei of tumor cells of all HPV‐positive samples. p16‐INK4a and mcm‐7 were expressed in 94% and 89% of HPV‐positive carcinoma cells, respectively. HPV‐L1 protein expression, which suggested reproductive HPV infection, was not observed in any carcinoma.

CONCLUSIONS:

The current results indicated that high‐risk HPV is likely to be a causative agent of some low‐grade bladder carcinomas that develop in younger patients. Cancer 2011. © 2010 American Cancer Society.
Photolysis and Heterogeneous Reaction of Coniferyl Aldehyde Adsorbed on Silica Particles with Ozone
Authors: Net Sopheak , Alvarez Elena Gomez , Balzer Natalja , Wortham Henri , Zetzsch Cornelius , Gligorovski Sasho
Published: November 2010

The pseudo‐first‐order loss of coniferyl aldehyde, adsorbed on silicon dioxide particles, upon heterogeneous ozonolysis was monitored at various ozone mixing ratios in the absence and presence of simulated sunlight. For the first time we investigated the effect of light on the heterogeneous ozonolysis of coniferyl aldehyde adsorbed on silica particles. We found that UV–VIS light (λ>300 nm) does not impact the degradation of coniferyl aldehyde by ozone but induces an additional, slow photolysis of the aldehyde with a photolytic rate constant of ∼10−5 s−1. In both cases, that is, in presence and/or absence of light, the heterogeneous ozonation kinetics are well described by an immediate gas–surface reaction formalism with light‐independent rate constants of k2nd=(7.2±0.9)×10−19 cm3 molec−1 s−1 and (7.6±1.7)×10−19 cm3 molec−1 s−1 in the absence and presence of light, respectively. Five oxidation products: glycolic acid, oxalic acid, vanillin, vanillic acid and 3,4‐dihydroxybenzoic acid were identified and confirmed by their corresponding standards. Vanillin and vanillic acid absorb light in the region λ>300 nm and thus can further participate in the direct and indirect photolysis processes of atmospheric relevance. A reaction mechanism is proposed in order to elucidate the ozonolysis reaction and to explain the reaction products.
Neural control of gene recruitment in metazoans
Authors: Cabej Nelson R.
Published: November 2010

Gene recruitment played a critical role in metazoan evolution. Yet, there is no consensus on whether it is an accidental event or a result of an inherent “gene recruiting” mechanism. The prevailing opinion among biologists is that gene recruitment results from random changes in genes or their regulatory regions, but the supporting evidence is poor and controversial. Herein, I present a mechanism in which gene recruitment is a neurally determined event, an adaptive response to changes in environmental conditions. In support of the hypothesis, I present evidence on the manipulative expression of genes in the central nervous system, as well as neurally determined examples of gene recruitment in transgenerational developmental plasticity and in evolution of metazoans Developmental Dynamics 240:1–8, 2011. © 2010 Wiley‐Liss, Inc.
Glial cell adhesive molecule unzipped mediates axon guidance in Drosophila
Authors: Ding Zhao‐Ying , Wang Ying‐Hsuan , Luo Zhao‐Kai , Lee Huei‐Fang , Hwang Jaulang , Chien Cheng‐Ting , Huang Min‐Lang
Published: November 2010

Axon guidance needs help from the glial cell system during embryogenesis. In the Drosophila embryonic central nervous system (CNS), longitudinal glia (LG) have been implicated in axon guidance but the mechanism remains unclear. We identified the protein encoded by the Drosophila gene unzipped (uzip) as a novel cell adhesion molecule (CAM). Uzip expressed in Drosophila S2 cells triggered cell aggregation through homophilic binding. In the embryonic CNS, Uzip was mainly produced by the LG but was also located at axons, which is consistent with the secretion of Uzip expressed in cultured cells. Although uzip mutants displayed no axonal defect, loss of uzip enhanced the axonal defects in the mutant of N‐cadherin (CadN) and the Wnt gene family member wnt5. Overexpression of uzip could rescue the phenotype in the CadNuzipD43 mutant. Thus, Uzip is a novel CAM from the LG regulating axon guidance. Developmental Dynamics, 2011. © 2010 Wiley‐Liss, Inc.
Transient stability evaluation method based on kinetic energy of postfault trajectories
Authors: Okuda Takahiro , Nakagawa Shinichi , Ohsaki Yuta , Iwamoto Shinichi
Published: November 2010

It is very important to maintain supply reliability in the deregulated environment. The transient stability problem is one of the major concerns in studies of planning and operation of power systems. Time domain simulation is currently the best available tool for allowing the use of detailed models and for providing reliable results. The main limitations of this approach involve long computation times. Therefore, this paper proposes a transient stability evaluation method using minimum transient kinetic energy of postfault trajectories. This method can estimate critical clearing times with only two points of the minimum transient kinetic energy, regardless of whether the trajectories after the clearing time are stable or unstable. The validity of the proposed method is shown by simulation studies with the IEEJ EAST 10‐machine 47‐bus system. © 2010 Wiley Periodicals, Inc. Electr Eng Jpn, 174(3): 18–24, 2011; Published online in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/eej.21018
CVCF inverter based on nonlinear control of instantaneous active and reactive power and its operation characteristics
Authors: Sato Akira , Noguchi Toshihiko
Published: November 2010

This paper describes a direct‐power‐controlled CVCF inverter and presents its experimentally examined operation characteristics. The most important feature of this strategy is the direct selection of the switching states of the CVCF inverter to restrict errors between the feedback and command values of active and reactive power. In addition, this paper presents a theoretical analysis of the relationship between the instantaneous power and the switching state, which is essential for deriving a switching‐state table for the controller. The feasibility of the proposed method was verified through several computer simulations and experimental tests using a 2.0‐kVA prototype setup. The output voltages were confirmed to be stable sinusoidal waveforms with a total harmonic distortion of 1.13% under nonlinear load conditions. Excellent voltage balance was achieved by the proposed strategy even under unbalanced load conditions. © 2010 Wiley Periodicals, Inc. Electr Eng Jpn, 174(3): 62–69, 2011; Published online in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/eej.21023
Active immunization using a single dose immunotherapeutic abates established EAE via IL‐10 and regulatory T cells
Authors: Rynda‐Apple Agnieszka , Huarte Eduardo , Maddaloni Massimo , Callis Gayle , Skyberg Jerod A. , Pascual David W.
Published: November 2010

Stimulation of Ag‐specific inducible Treg can enhance resolution of autoimmune disease. Conventional methods to induce Treg often require induction of autoimmune disease or subjection to infection. Reovirus adhesin, protein σ1 (pσ1), can successfully facilitate tolerance when fused to a tolerogen. We tested whether myelin oligodendrocyte glycoprotein (MOG) fused to pσ1 (MOG‐pσ1) can stimulate Ag‐specific Treg. We show that C57BL/6 mice treated nasally with MOG‐pσ1 fail to induce MOG‐specific Abs and delayed‐type hypersensitivity (DTH) responses and resist EAE. Such resistance was attributed to stimulation of Foxp3+ Treg, as well as Th2 cells. MOG‐pσ1's protective capacity was abrogated in IL‐10−/− mice, but restored when adoptively transferred with MOG‐pσ1‐induced Treg. As a therapeutic, MOG‐pσ1 diminished EAE within 24 h of nasal application, unlike recombinant MOG (rMOG), pσ1, or pσ1+rMOG, implicating the importance of Ag specificity by pσ1‐based therapeutics. MOG‐pσ1‐treated mice showed elevated IL‐4, IL‐10, and IL‐28 production by CD4+ T cells, unlike rMOG treated or control mice that produced elevated IFN‐γ or IL‐17, respectively. These data show the feasibility of using pσ1 as a tolerogen platform for Ag‐specific tolerance induction and highlight its potential use as an immunotherapeutic for autoimmunity.
Relaying results for indoor coverage in long‐term evolution and beyond
Authors: Venkatkumar V. , Haustein T. , Faulkner M.
Published: November 2010

Future cellular networks aim to improve the data rate to users in office and residential buildings. Wireless relaying is one of the possible solutions. In this approach, a relay is placed inside a building to get around the building penetration path loss. Decode and forward operation is employed for full re‐use of the licensed bandwidth with frequency dependent link adaptation. In this paper, we report indoor measurement results using state of the art macrocellular and relay. Orthogonal frequency division duplexing (OFDM) and multiple input multiple output (MIMO) are used in both links. The relay measurements were performed for a single cell three terminal relay network setup. Results show that (a) relay provides better data rate and coverage as compared to macro and (b) feedback can further improve relay coverage. A relay is able to deliver data rate exceeding 40 Mbps to locations well inside the building. Copyright © 2010 John Wiley & Sons, Ltd.
Cooperative feedback to improve capacity and error rate in multiuser diversity systems – an OFDM case study
Authors: Valentin Stefan , Karl Holger
Published: November 2010

To achieve multiuser diversity gains, resource allocation relies on accurate and timely feedback of the users' channel states. Obtaining such reliable feedback under tight overhead and delay constraints is non‐trivial in many wireless systems. To this end, we let users cooperate when transmitting feedback. Studying our cooperative feedback scheme exemplarily for the multiuser OFDM downlink shows that it efficiently avoids resource allocation errors. This significantly improves the error rate, ergodic sum capacity, or the system's energy efficiency even if the resources and energy required for cooperation are taken into account.
MicroRNA expression profiles of head and neck squamous cell carcinoma with docetaxel‐induced multidrug resistance
Authors: Dai Yuemeng , Xie Cheng‐hui , Neis John P. , Fan Chun‐Yang , Vural Emre , Spring Paul M.
Published: November 2010

Background

The purpose of this study was to investigate the potential role of variable microRNA (miRNA) expression in the development of multidrug resistance (MDR) in head and neck cancer.

Methods

Head and neck squamous cell carcinoma cell lines UMSCC‐1 and SQ20B were treated with docetaxel at increasing concentrations to develop resistant cell lines. Parental and resistant cells were treated with cisplatin, 5‐fluorouracil, paclitaxel, methotrexate, and doxorubicin to confirm cross‐resistance. The miRNA pattern of resistant cells was then compared with their parental cells.

Results

Docetaxel treatment successfully induced resistance primarily and induced multidrug cross‐resistance. Resistant cells showed significant downregulation of miR‐100, miR‐130a, and miR‐197 and upregulation in miR‐101, miR‐181b, miR‐181d, and miR‐195 expression when compared with their parent cells (p < .01). Real‐time polymerase chain reaction (PCR) analysis confirmed statistically significant downregulation in miR‐100 and miR‐130a and upregulation in miR‐181d expression (p < .001).

Conclusion

Alterations in miRNA expression has direct relationship to MDR in head and neck cancer and may serve as biomolecular targets for reversal of MDR. © 2010 Wiley Periodicals, Inc. Head Neck, 2011
Value of fluorescence endoscopy for the early diagnosis of laryngeal cancer and its precursor lesions
Authors: Kraft Marcel , Betz Christian Stephan , Leunig Andreas , Arens Christoph
Published: November 2010

Background

Fluorescence endoscopy is used for the early detection and delineation of laryngeal cancer and its precursor lesions. No systematic review of these promising imaging techniques has yet been performed.

Methods

A systematic review of the published literature and meta‐analysis of data extracted from 16 included studies were performed. A total of 1000 laryngeal lesions were examined by autofluorescence endoscopy (AFE), 318 mucosal changes by induced fluorescence endoscopy (IFE), and 679 laryngeal pathologies underwent normal white light endoscopy (WLE).

Results

In identifying precancerous and cancerous lesions of the larynx, sensitivity (91% vs 73%), specificity (84% vs 79%), and accuracy (88% vs 77%) of AFE were superior to WLE alone, whereas IFE showed an even higher sensitivity (95% vs 73%) at the expense of specificity (62% vs 79%). Therefore, AFE also achieved a higher specificity (84% vs 62%) and accuracy (88% vs 76%) than did IFE in detecting these kinds of lesions. However, the sensitivity (91% vs 95%) did not differ significantly between both methods.

Conclusions

This meta‐analysis confirms that fluorescence endoscopy is highly effective in the early diagnosis of laryngeal cancer and its precursor lesions. Thus, AFE can be used immediately without drug administration or possible side effects, whereas IFE is more suited for the detection of recurrent disease following initial surgery. © 2010 Wiley Periodicals, Inc. Head Neck, 2011
Comparison of calcitriol versus cholecalciferol therapy in addition to oral calcium after total thyroidectomy with central neck lymph node dissection: A prospective randomized study
Authors: Choe Jun‐Ho , Kim Wan Wook , Lee Se‐Kyung , Lim Hye In , Choi Jae Hyuck , Lee Jeong Eon , Kim Jung‐Han , Nam Seok Jin , Yang Jung‐Hyun , Kim Jee Soo
Published: November 2010

Background

The purpose of this study was to determine the effectiveness of oral calcium plus vitamin D supplementation and to compare the effects of cholecalciferol versus calcitriol treatments on postoperative hypocalcemia.

Methods

After total thyroidectomy with central neck dissection, 306 patients were divided into 4 groups according to “routine use versus on‐demand use” and “cholecalciferol versus calcitriol.”

Results

Hypocalcemic symptoms developed in 101 patients (33.0%). Hypocalcemia developed less frequently in patients receiving routine supplementation regardless of vitamin D type. However, routine supplementation did not prevent severe hypocalcemia. In patients receiving on‐demand supplements, calcitriol was more effective and faster acting than was cholecalciferol.

Conclusion

Routine oral calcium and vitamin D supplements are beneficial after total thyroidectomy with central neck lymph node dissection with no difference between cholecalciferol and calcitriol. If taken after the onset of hypocalcemia, however, calcitriol along with calcium carbonate seems to be more effective than is cholecalciferol with calcium carbonate. © 2010 Wiley Periodicals, Inc. Head Neck, 2010
Miyaura Borylations of Aryl Bromides in Water at Room Temperature
Authors: Lipshutz Bruce H. , Moser Ralph , Voigtritter Karl R.
Published: November 2010

New technology for palladium‐catalyzed cross‐couplings between B2pin2 and aryl bromides leading to arylboronates is described. Micellar catalysis serves to enable borylations to take place in water as the only medium at ambient temperatures.
Proteomic identification of CD44 interacting proteins
Authors: Skandalis Spyros S. , Kozlova Inna , Engström Ulla , Hellman Ulf , Heldin Paraskevi
Published: November 2010

CD44 is a cell surface receptor for hyaluronan which affects cell adhesion and migration, and has been implicated in chronic inflammation and in tumorigenesis. To elucidate the molecular mechanisms underlying its multiple functions, we used a peptide‐based pull‐down assay to identify proteins that interact with CD44. Nonphosphorylated or phosphorylated peptides from the intracellular CD44 C‐terminus, were immobilized and used as baits. Interacting proteins were subjected to SDS‐gel electrophoresis and were identified by MALDI‐TOF mass spectrometry. Several interaction partners were identified, including proteins involved in cytoskeletal reorganization, transcription, endocytosis, and intracellular transport. An endogenous complex between CD44 and one of the interacting proteins, the actin binding protein IQGAP1, was demonstrated in several normal and transformed cell types. © 2010 IUBMB IUBMB Life 62(11): 833–840, 2010.
31P NMR and AFM studies on the destabilization of cell and model membranes by the major bovine seminal plasma protein, PDC‐109
Authors: Damai Rajani S. , Sankhala Rajeshwer S. , Anbazhagan Veerappan , Swamy Musti J.
Published: November 2010

The effect of PDC‐109 binding to dimyristoylphosphatidylcholine (DMPC) and dipalmitoylphosphatidylglycerol (DPPG) multilamellar vesicles (MLVs) and supported membranes was investigated by 31P NMR spectroscopy and atomic force microscopy. Additionally, the effect of cholesterol on the binding of PDC‐109 to phosphatidylcholine (PC) membranes was studied. Binding of PDC‐109 to MLVs of DMPC and DPPG induced the formation of an isotropic signal in their 31P NMR spectra, which increased with increasing protein/lipid ratio and temperature, consistent with protein‐induced disruption of the MLVs and the formation of small unilamellar vesicles or micelles but not inverse hexagonal or cubic phases. Incorporation of cholesterol in the DMPC MLVs afforded a partial stabilization of the lamellar structure, consistent with previous reports of membrane stabilization by cholesterol. AFM results are consistent with the above findings and show that addition of PDC‐109 leads to a complete breakdown of PC membranes. The fraction of isotropic signal in 31P NMR spectra of DPPG in the presence of PDC‐109 was less than that of DMPC under similar conditions, suggesting a significantly higher affinity of the protein for PC. Confocal microscopic studies showed that addition of PDC‐109 to human erythrocytes results in a disruption of the plasma membrane and release of hemoglobin into the solution, which was dependent on the protein concentration and incubation time. © IUBMB IUBMB Life, 62(11): 841–851, 2010.
Detection of bulky DNA lesions: DDB2 at the interface of chromatin and DNA repair in eukaryotes
Authors: Jones Kristi L. , Zhang Ling , Seldeen Kenneth L. , Gong Feng
Published: November 2010

Schematic to illustrate proposed model for lesion detection in chromatin by Kristi L. Jones et al., pp. 803–811.
Shared‐memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: How to quickly parallelize legacy code
Authors: van Wüllen Christoph
Published: November 2010

The programs ESCF, EGRAD, and AOFORCE are parts of the TURBOMOLE program package and compute excited‐state properties and ground‐state geometric hessians, respectively, for Hartree‐Fock and density functional methods. The range of applicability of these programs has been extended by allowing them to use all CPU cores on a given node in parallel. The parallelization strategy is not new and duplicates what is standard today in the calculation of ground‐state energies and gradients. The focus is on how this can be achieved without needing extensive modifications of the existing serial code. The key ingredient is to fork off worker processes with separated address spaces as they are needed. Test calculations on a molecule with about 80 atoms and 1000 basis functions show good parallel speedup up to 32 CPU cores. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011
Extending fragment‐based free energy calculations with library monte carlo simulation: Annealing in interaction space
Authors: Lettieri Steven , Mamonov Artem B. , Zuckerman Daniel M.
Published: November 2010

Pre‐calculated libraries of molecular fragment configurations have previously been used as a basis for both equilibrium sampling (via library‐based Monte Carlo) and for obtaining absolute free energies using a polymer‐growth formalism. Here, we combine the two approaches to extend the size of systems for which free energies can be calculated. We study a series of all‐atom poly‐alanine systems in a simple dielectric solvent and find that precise free energies can be obtained rapidly. For instance, for 12 residues, less than an hour of single‐processor time is required. The combined approach is formally equivalent to the annealed importance sampling algorithm; instead of annealing by decreasing temperature, however, interactions among fragments are gradually added as the molecule is grown. We discuss implications for future binding affinity calculations in which a ligand is grown into a binding site. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011
The preparation of [pentane‐5,5,5‐3H3]‐abnormal‐cannabidiol
Authors: Byard Stephen J. , Carr Steven A. , DeFaria Jose F. , Filer Crist N. , Herbert John M. , Forcada Tatiana Jaramillo
Published: November 2010

A bromoalkane precursor was synthesized in six steps, and its copper catalysed coupling with methylmagnesium chloride to provide unlabelled abnormal‐cannabidiol (1a) was optimized. The methodology was used for an analogous coupling using [3H3]‐methylmagnesium iodide to provide [pentane‐2H3]‐abnormal‐cannabidiol (1b). Copyright © 2010 John Wiley & Sons, Ltd.
Physiological predictors of posttraumatic stress disorder
Authors: Gutner Cassidy A. , Pineles Suzanne L. , Griffin Michael G. , Bauer Margaret R. , Weierich Mariann R. , Resick Patricia A.
Published: November 2010

Studies have assessed relationships between posttraumatic stress disorder (PTSD) symptoms and physiological reactivity concurrently; fewer have assessed these relationships longitudinally. This study tests concurrent and prospective relationships between physiological reactivity (heart rate and skin conductance) to a monologue procedure and PTSD symptoms in female assault survivors, tested within 1 and 3 months posttrauma. After controlling for initial PTSD and peritraumatic dissociation, 3 measures of increased physiological reactivity to the trauma monologue at 1 month predicted 3‐month PTSD reexperiencing severity. Additionally, increased heart rate following trauma and neutral monologues at 1 month was predictive of 3‐month numbing symptoms. Implications for the prospective relationship between physiological reactivity to trauma cues and PTSD over time are discussed.
Attention to process and clinical outcomes of implementing a rural school‐based trauma treatment program
Authors: Hansel Tonya Cross , Osofsky Howard J. , Osofsky Joy D. , Costa Richard N. , Kronenberg Mindy E. , Selby Marian L.
Published: November 2010

The Louisiana Rural Trauma Services Center was established to provide, improve, and enhance urgently needed assessment, treatment, crisis management, and consultation services for children and adolescents exposed to traumatic events in three rural southeastern Louisiana parishes. The purpose of this study is to describe the process of implementing the rural school‐based trauma treatment program and to evaluate its effectiveness in 115 students. Through attention to process including the three‐tiered approach of relationship building, trauma training, and trauma services, the school‐based trauma treatment program proved effective in reducing trauma symptoms. This study is important to support the widespread implementation of school‐based mental health services.
Nanoparticle Vesicles Through Self Assembly of Cyclodextrin‐ and Adamantyl‐Modified Silica
Authors: Isenbügel Kathrin , Ritter Helmut , Branscheid Robert , Kolb Ute
Published: November 2010

Stable nanoparticle vesicles were for the first time prepared from adamantyl‐ and cyclodextrin (CD)‐modified silica nanoparticles forming host–guest interactions in aqueous solution. Adamantyl‐functionalized nanoparticles were obtained from thiol‐isocyanate reaction of thiol‐modified nanoparticles with 1‐adamantyl isocyanate. The CD modified silica particles were isolated from a reaction of mono‐6‐para‐toluenesulfonyl‐β‐cyclodextrin with the thiol functionalized silica under microwave conditions in basic media. The obtained particles were characterized in respect of agglomeration and self‐assembly behavior in aqueous solution by dynamic light scattering and transmission electron microscopy. The found vesicle structures are exceptionally stable even after evaporation of water. Such inorganic hollow spheres formed through self‐assembly processes may be important for chemical storage and transport. The technique of chemically‐driven assembly is an attractive option to form useful complex structures by tunable agglomeration.

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Novel Supports for Ethylene Polymerisation Based on Polystyrene Polymers
Authors: Tudella Joana , Ribeiro M. Rosário , Cramail Henri , Deffieux Alain
Published: November 2010

The industrial use of metallocene/methylaluminoxane catalytic systems and late transition metal catalysts requires the use of supports to directly get polyethylene (PE) with spherical morphology. The presence of residues of the inorganic support gives rise to PE contamination problems, therefore less contaminating organic supports may present an interesting alternative. In this work, linear hydroxypolystyrene (PS‐OH) and polystyrene‐block‐isoprene copolymer (PS‐b‐PI) were tested as supports for ethylene polymerisation. The ability of these polymers when dissolved in a selective solvent to form micelles or aggregates, was investigated by light scattering techniques. Next, their capacity to act as MAO or TMA‐activated supports towards MeDIP(2,6‐iPrPh2FeCl2) catalyst was analysed by carrying ethylene polymerisation tests and PE morphology studies. The PS‐b‐PI copolymer, used as organic support in heptane, enabled the obtention of PE with well defined spherical morphology.
Successive Synthesis of Well‐Defined Star‐Branched Polymers by “Convergent” Iterative Methodology Using Core‐Functionalized 3‐Arm Star‐Branched Polymer and a Specially Designed 1,1‐Diphenylethylene Derivative
Authors: Higashihara Tomoya , Inoue Kyoichi , Hirao Akira
Published: November 2010

The synthesis of well‐defined regular and miktoarm star‐branched polymers by a convergent iterative methodology using core‐functionalized 3‐arm star‐branched polymer with 1,1‐diphenylethylene (DPE) moiety and a specially designed DPE derivative is described. The methodology involves the following two reaction steps in the entire iterative synthetic sequence: 1) a coupling reaction of a star‐branched polymer having an anion at the core with a DPE derivative with two benzyl bromide moieties, 1‐{4‐[5,5‐bis(3‐bromomethylphenyl)‐7‐methylnonyl]phenyl}‐1‐phenylethylene, and 2) an addition reaction of the resulting core‐DPE‐functionalized star‐branched polymer with sec‐BuLi to convert the DPE moiety to a DPE‐derived anion. The iterative synthetic sequence including these two reaction steps, 1) and 2), was repeated to successively synthesize star‐branched polymers with more arms. Iteration of this synthetic sequence doubled the number of the arms in the star‐branched polymer. With this methodology, 6‐arm, 12‐arm, and 14‐arm regular star‐branched polystyrenes as well as 6‐arm A2B2C2, A4B2, and 12‐arm A4B4C4 and A8B4 miktoarm star‐branched polymers with well‐defined structures have been successfully synthesized.
Modification of Chemically Amplified Resists by Radical Copolymerization
Authors: Bulgakova S. , Johns M. , Kiseleva E.
Published: November 2010

Modification of a phenolic resist has been carried out by copolymerization with methacrylic monomers. Influence of irradiation source and its intensity has been studied by analyzing sensitive curves of a various resist composition. Inversion of imaging type at varying post exposure bake temperature has been investigated for resists based on copolymers containing methacrylic acid units, which has been related with crosslinking of macromolecules.
Investigating Acrylic Acid Polymerization by Using a Droplet‐Based Millifluidics Approach
Authors: Lorber Nicolas , Pavageau Bertrand , Mignard Emmanuel
Published: November 2010

We present herein the basic concept of droplet‐based millifluidics as an original tool to monitor polymerization kinetics. As a proof of concept, we use aqueous droplets of acrylic acid mixed with sodium persulfate at various pH as polymerization microreactor models. According to the pH and the temperature, completion could be obtained within a minute. Despite the fact that this reaction is quite fast and exothermic, we were able to acquire data in order to obtain valuable information about the polymerization kinetics. We were also able to estimate the overall activation energy for polymerization rate. Furthermore, offline analyses by Size Exclusion Chromatography show high molecular weights and high polydispersities. These results set the stage for further studies of polymerization reactions where detailed basic kinetic data must be acquired in conditions which cannot be investigated by using conventional batch glassware (i.e. high temperatures or concentrations). This new approach can also be used as an efficient High Throughput Screening tool.
Novel Supramolecular Hydrogels as Artificial Vitreous Substitutes
Authors: Lee‐Wang Hui Hui , Blakey Idriss , Chirila Traian V. , Peng Hui , Rasoul Firas , Whittaker Andrew K. , Dargaville Bronwin L.
Published: November 2010

The possibility of employing self‐healing gels as potential artificial vitreous substitutes is being explored. Advancement of traditional synthetic hydrogels as vitreous substitutes is hindered by their fragmentation upon injection into the vitreous cavity leading ultimately to inflammation. Preliminary work involved developing first generation self‐healing gels, using amphiphilic tri‐block copolymers of poly(propylene glycol)‐block‐poly(ethylene glycol)‐block‐poly(propylene glycol) (PPG‐PEG‐PPG) as the building block. Eight linear self‐healing gels are synthesized by tethering an ureidopyrimidinone system to synthetically modified PPG‐PEG‐PPG via the formation of a bis‐urea as a linker. The reversible nature of the hydrogen bonds permits alteration of their physical properties by changing the environment, yet retaining desirable characteristics. Despite low solubility in water, these polymers demonstrated associating behaviour under the investigated conditions, which is encouraging. Future generations of self‐healing gels should involve the selection of a more hydrophilic core and/or star‐like polymers to facilitate gel formation and strengthen the network.
Replication of Micro‐ and Nanostructures on Polymer Surfaces
Authors: Holzer Clemens , Gobrecht Jens , Schift Helmut , Solak Harun
Published: November 2010

Summary: Via geometrical micro‐ and nanostructures new functionalities like controlled wetting properties, biological adhesive / dehesive properties or surface patterns for guided self assembly can be added to polymer surfaces. This is especially interesting for medical or biotechnological applications, because there is no new approval process necessary.

The whole process from producing the structures via EUV‐interference lithography to the injection moulding will be shown. How far the limits for the smallness of these structures on polymers are already pushed forward show the results from our latest injection moulded samples. Grooves of 18 nm width ‐ this means world record! ‐ could be reproduced in an industrial process and in an economical very interesting high‐volume production.
Ferrocene Containing Polyimides as a Route to Low‐κ Dielectric Materials
Authors: Seçkin Turgay , Köytepe Süleyman , Kıvılcım Nilüfer
Published: November 2010

Polyimides incorporating the ferrocene unit were prepared by in situ curing of poly (amic acid) macromolecules with ferrocene, for the molecular‐level design of low dielectric constant (low‐κ) materials. The effects of ferrocene on dielectric properties of polyimide are investigated in detail in this study. Ferrocene containing polyimides exhibit a number of desirable properties including low‐water absorption and admirable thermal stability. Systematic studies demonstrate that proper insertion of ferrocene into a polyimide backbone can give rise to a reduction in the material's dielectric constant. All composites were subjected to DSC measurements for the purpose of examining Tg from all composition. Scanning electron microscopy (SEM), X‐ray diffraction (XRD) and the other conventional techniques were used for structural characterization.
Synthesis of New Regioselectively Sulfated Hyaluronans for Biomedical Application
Authors: Becher Jana , Möller Stephanie , Weiss Dieter , Schiller Jürgen , Schnabelrauch Matthias
Published: November 2010

Sulfated glycosaminoglycans (GAGs) display various biological effects which are strongly influenced by the degree of sulfation and the position of sulfate groups within the polymer. Hyaluronan, a non‐sulfated GAG, represents a readily accessible educt to synthesize structural analogues of sulfated GAGs mimicking their biological activity. Different strategies were developed and evaluated to synthesize hyaluronan sulfates with a free primary hydroxyl group at C‐6' and sulfated secondary hydroxyl groups. Applying selective desulfation methods of high‐sulfated hyaluronan by means of silylating agents, products regioselectively desulfated at the primary C‐6' but also partly the C‐4' position were obtained. A pathway using benzoyl ester protecting groups to block the primary hydroxyl function of Hya during the sulfation resulted in a high‐sulfated product, functionalized only at the secondary hydroxyl groups.
Chitosan Macromolecules on a Substrate: Deposition from Solutions in sc CO2 and Reorganisation in Vapours
Authors: Khokhlova Marina A. , Chaschin Ivan S. , Grigorev Timofei E. , Gallyamov Marat O.
Published: November 2010

Specially pretreated chitosan macromolecules possess limited solubility in supercritical carbon dioxide. When deposited on mica substrate from such solutions they adopt somewhat extended conformation. The adsorbed macromolecules become mobile on the interface when exposed to water vapour as revealed by environmental scanning force microscopy. During the exposure in the presence of coadsorbed water layer the chitosan strands demonstrate slight tendency to adopt more compact but still two‐dimensional conformation on the substrate.
Effect of Bee Pollen on the Mechanical and Thermal Properties of Starch Films
Authors: Macieira Carles A. C. , Correia Suely J. P. , de Sousa Ana Paula Belizário , Júnior Ricardo L. C. Albuquerque , Araújo Yzila L. F. Maia , Melo Mateus S. , Costa Luiz P. , Cardoso Juliana C. , Padilha Francine F.
Published: November 2010

The use of casein, starch and bee pollen as biodegradable materials has been promise. The objective of this work was the development and characterization of films containing casein, pollen and starch. The films were obtained by casting process and the solvent evaporation was performed at 40 °C/24 h. The films characterization was carried out by microscopy, thermal analysis, opacity test, mechanical properties and barrier methods. The starch films presented heterogeneous on microscopy analysis. The thermal behaviors of pollen films were similar. The formulation containing only pollen 3% was unable to form film. The introduction of pollen in starch film formulation improved the mechanical characteristic and thermal stability of films.
QSAR Analysis Involving Assay Results Which are only Known to be Greater Than, or Less Than Some Cut‐off Limit
Authors: Lind Peter
Published: November 2010

It is often impossible to measure compound properties above or below some detection limit, or cut‐off level, in which cases result values can only be recorded as lying above or below that censoring limit. Such result values carry information, but are often excluded from QSAR studies or forcing the use of classification methods where regression models are more appropriate.

This paper describes a regression method which makes use of censored values. The method works by estimating (imputing) the values underlying censored results. The algorithm was tested for stability and accuracy in the context of Free–Wilson R‐group activity score calculations.