bluuebunny/crossref_metadata_2025_split huggingface dataset:
Use of dynamic microsimulation to predict disease progression in patients with pneumonia-related sepsis
Authors: Saka Görkem , Kreke Jennifer E , Schaefer Andrew J , Chang Chung-Chou H , Roberts Mark S , Angus Derek C ,   the GenIMS Investigators
Published: June 2007

Abstract
Introduction
Sepsis is the leading cause of death in critically ill patients and often affects individuals with community-acquired pneumonia. To overcome the limitations of earlier mathematical models used to describe sepsis and predict outcomes, we designed an empirically based Monte Carlo model that simulates the progression of sepsis in hospitalized patients over a 30-day period.

Methods
The model simulates changing health over time, as represented by the Sepsis-related Organ Failure Assessment (SOFA) score, as a function of a patient's previous health state and length of hospital stay. We used data from patients enrolled in the GenIMS (Genetic and Inflammatory Markers of Sepsis) study to calibrate the model, and tested the model's ability to predict deaths, discharges, and daily SOFA scores over time using different algorithms to estimate the natural history of sepsis. We evaluated the stability of the methods using bootstrap sampling techniques.

Results
Of the 1,888 patients originally enrolled, most were elderly (mean age 67.77 years) and white (80.72%). About half (47.98%) were female. Most were relatively ill, with a mean Acute Physiology and Chronic Health Evaluation III score of 56 and Pneumonia Severity Index score of 73.5. The model's estimates of the daily pattern of deaths, discharges, and SOFA scores over time were not statistically different from the actual pattern when information about how long patients had been ill was included in the model (P = 0.91 to 0.98 for discharges; P = 0.26 to 0.68 for deaths). However, model estimates of these patterns were different from the actual pattern when the model did not include data on the duration of illness (P < 0.001 for discharges; P = 0.001 to 0.040 for deaths). Model results were stable to bootstrap validation.

Conclusion
An empiric simulation model of sepsis can predict complex longitudinal patterns in the progression of sepsis, most accurately by models that contain data representing both organ-system levels of and duration of illness. This work supports the incorporation into mathematical models of disease of the clinical intuition that the history of disease in an individual matters, and represents an advance over several prior simulation models that assume a constant rate of disease progression.
The impact of cell-bound antigen transport on mucosal tolerance induction
Authors: Pabst Oliver , Bernhardt Günter , Förster Reinhold 
Published: June 2007

AbstractMucosal surfaces are exposed continuously to a flood of foreign antigens demanding a tightly controlled balance between immunity and tolerance induction. Tolerance toward food and inhaled antigens, known as oral and respiratory tolerance, respectively, evokes a body-wide nonresponsiveness against the plethora of environmental antigens. Key issues in understanding the induction of mucosal tolerance relate to the site of antigen entrance, the mechanisms of antigen transport, and the exact anatomical location where lymphocytes meet their cognate antigens. In this regard, opposing ideas have been put forward: In one scenario, antigens taken up at mucosal surfaces are considered to spread throughout the body, thus potentially evoking tolerogenic immune responses in all secondary lymphoid organs. Alternatively, tolerance induction might be confined to the draining regional lymph nodes (LN). Recent observations strongly supported the latter scenario, emphasizing the importance of regional LN and their network of afferent lymphatics in this process. In this model, air-borne and intestinal antigens are captured at mucosal sites by dendritic cells, which then migrate exclusively in a CCR7-dependent way to draining regional LN. Tolerance is then induced actively by the activation of antigen-specific T cells, which are subsequently deleted, become anergic, or alternatively, differentiate into regulatory T cells. Thus, the concept of local induction of immune responses seems to hold true for the majority of immune reactions, regardless of whether they are tolerogenic or defensive in their outcome.
Critical role of monocytes to support normal B cell and diffuse large B cell lymphoma survival and proliferation
Authors: Mueller Chris G , Boix Charlotte , Kwan Wing-Hong , Daussy Cécile , Fournier Emilie , Fridman Wolf H , Molina Thierry J 
Published: June 2007

AbstractLarge B cell lymphomas can comprise numerous CD14+ cells in the tumor stroma, which raises the question of whether monocytes can support B cell survival and proliferation. We show that the coculture of monocytes with B cells from peripheral blood or from diffuse large B cell lymphoma enabled prolonged B cell survival. Under these conditions, diffuse large lymphoma B cells proliferated, and addition of B cell-activating factor of the TNF family (BAFF) and IL-2 enhanced cell division. Monocytes and dendritic cells (DC) had similar antiapoptotic activity on healthy B cells but displayed differences with respect to B cell proliferation. Monocytes and cord blood-derived CD14+ cells promoted B cell proliferation in the presence of an anti-CD40 stimulus, whereas DC supported B cell proliferation when activated through the BCR. DC and CD14+ cells were able to induce plasmocyte differentiation. When B cells were activated via the BCR or CD40, they released the leukocyte attractant CCL5, and this chemokine is one of the main chemokines expressed in diffuse large B cell lymphoma. The data support the notion that large B cell lymphoma recruit monocytes via CCL5 to support B cell survival and proliferation.
Negative regulation of TLR9-mediated IFN-α induction by a small-molecule, synthetic TLR7 ligand
Authors: Marshall Jason D , Heeke Darren S , Gesner Marianne L , Livingston Brian , Van Nest Gary 
Published: June 2007

AbstractToll-like receptors (TLRs) are a family of molecules that function as sensors for the detection of foreign pathogens through the recognition of nonvariable microbial motifs. Although numerous studies have focused on singular TLRs, less attention has been focused on how simultaneous signaling of multiple TLRs may result in counter-regulation of the effects of each. Here, we examine the counter-regulation that occurs during simultaneous stimulation of TLR7 and TLR9 on human plasmacytoid dendritic cels (PDCs) and B cells. Interestingly, we observed that the capacity for potent IFN-α-induction by TLR9 ligands like CpG-C and CpG-A is markedly reduced by concurrent small molecule TLR7 stimulation. However, this inhibition is specific to particular CpG motif-containing immunostimulatory sequence (ISS) functions such as IFN-α induction and BDCA-2 down-regulation. Other ISS activities such as PDC expression of CD80/CD86, secretion of IL-6, and B cell proliferation are not altered by the presence of TLR7 ligands (TLR7Ls). In concordance with the ability of TLR7Ls to decrease IFN-α secretion induced by ISS, we also find that the expression of interferon regulatory factor-7 (IRF-7), a transcriptional factor critical for IFN-α expression, is reduced. Furthermore, down-regulation of TLR9 mRNA expression is accelerated after TLR7 stimulation. These data indicate that TLR7 and TLR9 costimulation do not combine synergistically for IFN-α induction and demonstrate that, instead, a negative feedback mechanism has evolved, possibly to prevent levels of IFN-α secretion potentially detrimental to the host.
Slit-2/Robo-1 modulates the CXCL12/CXCR4-induced chemotaxis of T cells
Authors: Prasad Anil , Qamri Zahida , Wu Jane , Ganju Ramesh K 
Published: June 2007

AbstractSlit, which mediates its function by binding to the Roundabout (Robo) receptor, has been shown to regulate neuronal, dendritic, and leukocyte migration. However, the molecular mechanism by which the Slit/Robo complex inhibits the migration of cells is not well defined. Here, we showedthat Slit-2 can inhibit the CXCL12-induced chemotaxis and transendothelial migration of T cells and monocytes. We observed that CXCR4 associates with Robo-1 and that Slit-2 treatment enhances this association with the Robo-1 receptor. Robo-1 is a single-pass transmembrane receptor whose intracellular region contains four conserved motifs designated as CC0, CC1, CC2, and CC3. Structural and functional analyses of Robo receptors revealed that interaction of the CC3 motif with the CXCR4 receptor may regulate the CXCL12-induced chemotaxis of T cells. We further characterized Slit-2-mediated inhibition of the CXCL12/CXCR4 chemotactic pathway and found that Slit-2 can block the CXCL12-induced activation of the Src and Lck kinases but not Lyn kinase. Although Slit-2 did not inhibit the CXCL12-induced activation of MAPKs, it did inhibit the Akt phosphorylation and Rac activation induced by this chemokine. Altogether, our studies indicate a novel mechanism by which the Slit/Robo complex may inhibit the CXCR4/CXCL12-mediated chemotaxis of T cells.
Relationship between Bone Mineral Density Changes and Fracture Risk Reduction in Patients Treated with Strontium Ranelate
Authors: Bruyere Olivier , Roux Christian , Detilleux Johann , Slosman Daniel O. , Spector Tim D. , Fardellone Patrice , Brixen Kim , Devogelaer Jean-Pierre , Diaz-Curiel Manuel , Albanese Carlina , Kaufman Jean-Marc , Pors-Nielsen Stig , Reginster Jean-Yves 
Published: June 2007

Abstract
Objective: Our objective was to analyze the relationship between bone mineral density (BMD) changes and fracture incidence during 3-yr treatment with strontium ranelate.
Patients: Women from the strontium ranelate arm of the Spinal Osteoporosis Therapeutic Intervention study and the TReatment Of Peripheral OSteoporosis study were evaluated.
Outcome Measures: The outcome measures included BMD at the lumbar spine, femoral neck, and total proximal femur assessed at baseline and after a follow-up of 1 and 3 yr; semiquantitative visual assessment of vertebral fractures; and nonvertebral fractures based on written documentation.
Results: After 3 yr of strontium ranelate treatment, each percentage point increase in femoral neck and total proximal femur BMD was associated with a 3% (95% adjusted confidence interval, 1–5%) and 2% (1–4%) reduction in risk of a new vertebral fracture, respectively. The 3-yr changes in femoral neck and total proximal femur BMD explained 76% and 74%, respectively, of the reduction in vertebral fractures observed during the treatment. Three-year changes in spine BMD were not statistically associated with the incidence of new vertebral fracture (P = 0.10). No significant associations were found between 3-yr changes in BMD and incidence of new nonvertebral fractures, but a trend was found for femoral neck BMD (P = 0.09) and for total proximal femur BMD (P = 0.07). An increase in femoral neck BMD after 1 yr was significantly associated with the reduction in incidence of new vertebral fractures observed after 3 yr (P = 0.04).
Conclusion: During 3-yr strontium ranelate treatment, an increase in femoral neck BMD was associated with a proportional reduction in vertebral fracture incidence.
Three-dimensional kinematics of hummingbird flight
Authors: Tobalske Bret W. , Warrick Douglas R. , Clark Christopher J. , Powers Donald R. , Hedrick Tyson L. , Hyder Gabriel A. , Biewener Andrew A. 
Published: June 2007

SUMMARYHummingbirds are specialized for hovering flight, and substantial research has explored this behavior. Forward flight is also important to hummingbirds,but the manner in which they perform forward flight is not well documented. Previous research suggests that hummingbirds increase flight velocity by simultaneously tilting their body angle and stroke-plane angle of the wings,without varying wingbeat frequency and upstroke: downstroke span ratio. We hypothesized that other wing kinematics besides stroke-plane angle would vary in hummingbirds. To test this, we used synchronized high-speed (500 Hz) video cameras and measured the three-dimensional wing and body kinematics of rufous hummingbirds (Selasphorus rufus, 3 g, N=5) as they flew at velocities of 0-12 m s-1 in a wind tunnel. Consistent with earlier research, the angles of the body and the stroke plane changed with velocity,and the effect of velocity on wingbeat frequency was not significant. However,hummingbirds significantly altered other wing kinematics including chord angle, angle of attack, anatomical stroke-plane angle relative to their body,percent of wingbeat in downstroke, wingbeat amplitude, angular velocity of the wing, wingspan at mid-downstroke, and span ratio of the wingtips and wrists. This variation in bird-centered kinematics led to significant effects of flight velocity on the angle of attack of the wing and the area and angles of the global stroke planes during downstroke and upstroke. We provide new evidence that the paths of the wingtips and wrists change gradually but consistently with velocity, as in other bird species that possess pointed wings. Although hummingbirds flex their wings slightly at the wrist during upstroke, their average wingtip-span ratio of 93% revealed that they have kinematically `rigid' wings compared with other avian species.
Synthetic Multifunctional Nanoarchitecture in Lipid Bilayers: Ion Channels, Sensors, and Photosystems
Authors: Bhosale Rajesh , Bhosale Sheshanath , Bollot Guillaume , Gorteau Virginie , Julliard Marc D , Litvinchuk Svetlana , Mareda Jiri , Matile Stefan , Miyatake Tomohiro , Mora Federico , Perez-Velasco Alejandro , Sakai Naomi , Sisson Adam L , Tanaka Hiroyuki , Tran Duy-Hien 
Published: June 2007

Abstract
The creation of functional materials such as ion channels, porous sensors, or smart photosystems depends critically on our ability to assemble sophisticated, error-free and self-repairing nanoarchitecture in a predictable manner. To address these challenging topics, we often used lipid bilayer membranes as compartmentalizing platform and have introduced rigid-rod molecules as privileged scaffolds that bypass all folding problems because they do not fold. This approach provides access to motifs such as rigid-rod barrels, helices, stacks, slides, and wires that can act as smart, stimuli-responsive photosystems, pores, ion channels, hosts, sensors, and catalysts. The selected examples focus on naphthalenediimides (NDIs), a compact, organizable, colorizable, and functionalizable n-semiconductor. This versatile module is used in rigid-rod molecules to mediate transmembrane anion transport by anion–π interactions, as sticky π-clamp within pore sensors to catch otherwise elusive analytes by aromatic electron donor–acceptor interactions, or in blue, transmembrane π-stack architecture to collect and convert photonic energy. These specific examples with multifunctional NDI nanoarchitecture are of help to outline, on the one hand, possibilities to contribute to advanced functional materials such as multianalyte sensors or solar cells and, on the other hand, to keep on wondering about an enormous structural and functional space waiting to be explored.
Formation of Large Molecular Cluster Anions and Elucidation of Their Electronic Structures
Authors: Mitsui Masaaki , Nakajima Atsushi 
Published: June 2007

Abstract
The present account describes our efforts to understand the microscopic aspects of condense phase phenomena, such as ion solvation in molecular liquids and charge carrier localization in molecular solids, by viewing finite-size molecular clusters as their embryonic forms. In this effort, we efficiently prepared supersonically cooled, isolated molecular cluster anions with up to more than 100 constituent molecules and size-selectively investigated their electronic structures using anion photoelectron spectroscopy. Large anionic clusters of two different types of organic molecule; acetonitrile and naphthalene reported as examples of the noteworthy results obtained in our studies. In these two systems, we found that energetically close anionic isomers coexist over a broad range in size, and their contribution in the photoelectron spectra could be separated using anion beam hole-burning technique. A detailed inspection into the electronic states and size-dependent energetics of each isomer has enabled us to establish a link from the large finite cluster to the infinite bulk system.
Delivery of Antisense Oligonucleotides to Nuclear Telomere RNA by Use of a Complex between Polysaccharide and Polynucleotide
Authors: Minari Jusaku , Kubo Takanori , Ohba Hideki , Shimada Naohiko , Takeda Yoich , Karinaga Ryouji , Anada Takahisa , Koumoto Kazuya , Kawazu Takeshi , Nagasaki Takeshi , Shinkai Seiji , Sakurai Kazuo 
Published: June 2007

Abstract
Telomerase, which is highly activated in neoplastic cells, can be a target for antisense therapy, and for that purpose, antisense oligonucleotides (AS ODNs) have to be effectively delivered into cellular nucleus where the target telomerase is present. The present work shows a new strategy to deliver AS ODNs to nucleus by use of a novel complex made from a natural polysaccharide schizophyllan (SPG) and AS ODNs. Nuclear transport is strictly regulated by the nuclear pore size and the related proteins. If the molecular weight of SPG is decreased, the SPG/AS ODN complex should be easily transported, although the stability of the complex decreases with a decrease in the molecular weight. We optimized the molecular weight of SPG to be 25 K. Furthermore, we attached importin-β (a nuclear transport protein) to the side chain of SPG by use of a streptavidin–biotin interaction. When this complex was added to Jurkat cells, the telomerase activity was more suppressed than the naked dose, indicating that the importin-β in the complex induced the nuclear transport of the complexed AS ODN and the AS ODN inhibited the telomerase. The present work shows a new methodology for nuclear anti-sense therapy that should be important in future anti-cancer therapies.
Spontaneous Appearance of Chirally Asymmetric Steady States in an Oregonator-Based Reaction Model
Authors: Iwamoto Kazutoshi 
Published: June 2007

Abstract
A chiral symmetry-breaking reaction model was constructed based on the Oregonator model, which was proposed to explain the oscillatory behavior of the Belousov–Zhabotinskii reaction by Field, Körös, and Noyes. Its symmetry-breaking transition results in the dominance of one enantiomer, and the disappearance of the other. Depending on the parameter values, an asymmetric steady state, symmetric steady state, or oscillatory behavior with either the same or different amplitudes is exhibited. Numerous chemical oscillation systems have been previously reported, and these systems always include autocatalytic processes. Accordingly, if the autocatalyst in these experimental systems has optical isomers and each isomer catalyzes its own production, the spontaneous appearance of a chiral symmetry-breaking state is expected in the chemical oscillation system under the appropriate experimental conditions.
Theoretical and Experimental Studies on the Ground- and Excited-State Dipole Moments of 1,4-Naphthoquinone and Its Derivatives
Authors: Satoh Takehiko , Kudoh Mitsutaka , Tsuji Takemasa , Kita Shouichi , Mori Toshiaki , Sudoh Susumu 
Published: June 2007

Abstract
The dipole moments of the ground- and excited-states of 1,4-naphthoquinone (1), 2-chloro-1,4-naphthoquinone (2), 2-bromo-1,4-naphthoquinone (3), 2-methyl-1,4-naphthoquinone (4), 2,3-dichloro-1,4-naphthoquinone (5), 2,3-dibromo-1,4-naphthoquinone (6), 2-hydroxy-1,4-naphthoquinone (7), 3-chloro-2-hydroxy-1,4-naphthoquinone (8), 3-bromo-2-hydroxy-1,4-naphthoquinone (9), and 2-hydroxy-3-methyl-1,4-naphthoquinone (10) were studied from both experimental and theoretical perspectives. For the ground states, the dipole moments of compounds 5, 8, and 9 were determined experimentally in dilute solutions (via Debye’s method), and compared with those of the other compounds 1–4, 6, 7, and 10 which we had already determined. The density functional theory calculations were also performed, revealing a positive correlation with the experimental results. For the excited states, however, the dipole moments of the excited states of compounds 1–10 have not yet been studied. In this work, we determined the dipole moments of some of the lower excited states of these compounds using the spectroscopic method. Results revealed the determined excited-state dipole moments exceeded those of the ground state, a finding also supported by the configuration interaction involving one-electron excitations only.
Multibaric–Multithermal Molecular Dynamics Simulation of Alanine Dipeptide in Explicit Water
Authors: Okumura Hisashi , Okamoto Yuko 
Published: June 2007

Abstract
Multibaric–multithermal (MUBATH) simulation can escape from local-minimum free-energy states, and one can obtain accurate thermodynamic quantities as functions of any temperature and pressure from a single simulation run. We performed a MUBATH molecular dynamics simulation of an alanine dipeptide in explicit water. The MUBATH simulation sampled the states of PII, C5, αR, αP, and αL. On the other hand, the conventional isobaric–isothermal simulation was trapped in local-minimum free-energy states and sampled only a few of them. We calculated the partial molar enthalpy and partial molar volume from the MUBATH simulation. Our results were in accord with those from Raman spectroscopy.
NMR Spectroscopy on the Complexation of 3,6-Anhydro-β-cyclodextrin with 2,6-Naphthalenedicarboxylate Ion
Authors: Yoshikiyo Keisuke , Matsui Yoshihisa , Yamamoto Tatsuyuki , Okabe Yuji 
Published: June 2007

Abstract
The 2,6-naphthalenedicarboxylate ion (2,6-NDC) was included into the interior cavity of 3A,6A-anhydro-β-cyclodextrin (1) in D2O containing 0.1 mol dm−3 Na2CO3 and caused a shift in the 1H NMR signals due to the C3- and C5-H’s of 1 to different directions, depending on the positions of glucose units (anisotropic ring-current effect). The decrease in entropy accompanied by the complexation was much larger than that for the complexation of native β-cyclodextrin with 2,6-NDC. These results indicate that the molecular rotation of 2,6-NDC is retarded within the deformed cavity of 1.
Aggregate Structure of N-(Perfluoroalkylmethyl)-N,N,N-trimethylammonium Chloride by Transmission Electron Microscopy
Authors: Matsuoka Keisuke , Ishii Mariko , Yonekawa Aki , Honda Chikako , Endo Kazutoyo , Moroi Yoshikiyo , Abe Yutaka , Tamura Takamitsu 
Published: June 2007

Abstract
The size and shape of aggregates were investigated for four fluorinated amphiphiles with different alkyl chain lengths: Cn−1F2n−1CH2N+(CH3)3Cl− (Cn-TAC; n = 8, 10, 12, and 14) by TEM. The micrographs showed that Cn-TACs were mostly disc-like or ellipsoid-shaped lamella, which exponentially grew up their size from 10 nm (C8-TAC) to 500 nm (C14-TAC).