bluuebunny/crossref_metadata_2025_split huggingface dataset:
Population balance approach for the modelling of enzymatic hydrolysis of cellulose
Authors: Lebaz Noureddine , Cockx Arnaud , Spérandio Mathieu , Morchain Jérôme 
Published: September 2014

AbstractIn this numerical work, a population balance‐based model is proposed in order to describe the cellulose particles size evolution during the enzymatic hydrolysis. Two kinds of actions are considered: endoglucanase activity that cleaves randomly β‐1,4‐glycosidic linkages of cellulose, and exoglucanase activity which reduces the particles size with chain‐end‐cleaving producing cellobiose (a dimer of two glucoses linked by a β‐1,4‐glycosidic bond). A discretization method with a fixed pivot technique is used for the endoglucanase action and a moving pivot technique for exoglucanase attack. The numerical resolution is then validated by analytical solutions available in literature. Afterwards, the combination of the two actions is investigated for different enzyme ratios in order to reproduce the endo‐exo synergism numerically. Since the biodegradation of cellulose releases D‐glucose as a final product due to β‐glucosidase which hydrolyzes cellobiose into two molecules of glucose, numerical kinetic model predicting the fractional conversion of cellulose is derived from the population balance developed model. The enzymes activity is strongly affected by the accumulation of the end‐products (cellobiose and glucose) during the hydrolysis, the inhibition effect is thereby incorporated in the model. The numerical model prediction is compared to experimental data in the case of combined activity and shows a promising approach for the modelling of cellulose‐cellulase systems.
Non‐serotinous woody plants behave as aerial seed bank species when a late‐summer wildfire coincides with a mast year
Authors: Pounden Edith , Greene David F. , Michaletz Sean T. 
Published: September 2014

Abstract

Trees which lack obvious fire‐adaptive traits such as serotinous seed‐bearing structures or vegetative resprouting are assumed to be at a dramatic disadvantage in recolonization via sexual recruitment after fire, because seed dispersal is invariably quite constrained. We propose an alternative strategy in masting tree species with woody cones or cone‐like structures: that the large clusters of woody tissue in a mast year will sufficiently impede heat transfer that a small fraction of seeds can survive the flaming front passage; in a mast year, this small fraction would be a very large absolute number.

In Kootenay National Park in British Columbia, we examined regeneration by Engelmann spruce (Picea engelmannii), a non‐serotinous conifer, after two fires, both of which coincided with mast years. Coupling models of seed survivorship within cones and seed maturation schedule to a spatially realistic recruitment model, we show that (1) the spatial pattern of seedlings on a 630 m transect from the forest edge into the burn was best explained if there was in situ seed dissemination by burnt trees; (2) in areas several hundred meters from any living trees, recruitment density was well correlated with local prefire cone density; and (3) spruce was responding exactly like its serotinous codominant, lodgepole pine (Pinus contorta).

We conclude that non‐serotinous species can indeed behave like aerial seed bank species in mast years if the fire takes place late in the seed maturation period. Using the example of the circumpolar boreal forest, while the joint probability of a mast year and a late‐season fire will make this type of event rare (we estimate P = 0.1), nonetheless, it would permit a species lacking obvious fire‐adapted traits to occasionally establish a widespread and abundant cohort on a large part of the landscape.
Ruthenium(II) Photosensitizers with Electron‐Rich Diarylamino‐Functionalized 2,2′‐Bipyridines and Their Application in Dye‐Sensitized Solar Cells
Authors: Wang Qiwei , Wu Wenjun , Ho Cheuk‐Lam , Xue Liqin , Lin Zhenyang , Li Hua , Lo Yih Hsing , Wong Wai‐Yeung 
Published: September 2014

AbstractNew ruthenium(II) photosensitizers [Ru(dcbpy)(L)(NCS)2] (dcbpy = 4,4′‐dicarboxylic acid‐2,2′‐bipyridine; L = 4,4′‐bis{di[4‐(N,N′‐dimethylamino)phenyl]amino}‐2,2′‐bipyridine (1), 4,4′‐bis[di(4‐methoxyphenyl)amino]‐2,2′‐bipyridine (2), and 4,4′‐bis[di(4‐tolyl)amino]‐2,2′‐bipyridine (3)) were prepared and characterized and their application in dye‐sensitized solar cells is presented. The optical absorption of these photosensitizers gives a peak at around 540 nm, which is very similar to that of the standard N719. The maximum incident photon‐to‐current conversion efficiency (IPCE) of 80.6 % was obtained for 3, which corresponded to a power conversion efficiency (η) of 5.68 % under standard air mass (AM) 1.5 sunlight (versus N719 at 6.76 %). Molecular cosensitization of 3 with an organic dye, QS‐DPP‐I, yielded higher η values up to 6 % relative to the cells based on individual photosensitizers, and the corresponding IPCE can reach 93.6 % at 549 nm. A preliminary stability test of the devices was also conducted.
Synthesis, Characterization of Some Ferrocenoyl Cysteine and Histidine Conjugates, and Their Interactions with Some Metal Ions
Authors: Han Guo‐Cheng , Ferranco Annaleizle , Feng Xiao‐Zhen , Chen Zhencheng , Kraatz Heinz‐Bernhard 
Published: September 2014

AbstractThe synthesis and characterization of a series of 1,n′‐disubstituted ferrocenoyl cysteine and histidine conjugates is reported. Their interaction with a range of metal ions was studied. The results show that metal coordination in His‐containing peptides involved the imidazole group. Metal coordination affects the structural properties of the ferrocene (Fc) conjugates, as judged by CD spectroscopy, and also the redox properties of the Fc group.
Reactivity of a Seven‐Membered Zirconacyclocumulene towards CN Multiple Bonds – Formation of Metallaheterocycles by Insertion of C≡N and C=N Groups
Authors: Burlakov Vladimir V. , Becker Lisanne , Bogdanov Vyacheslav S. , Andreev Maxim V. , Arndt Perdita , Spannenberg Anke , Baumann Wolfgang , Rosenthal Uwe 
Published: September 2014

AbstractThe reactions of the seven‐membered zirconacyclocumulene [Cp2Zr{η4‐Me3SiC4(SiMe3)–C(C2SiMe3)=CSiMe3}] (1) with nitriles (RC≡N, R = Me, Ph) started with an insertion of a cyanide group into the metal–butadiyne bond followed by an alkyne–nitrile coupling and formation of 1‐zircona‐2‐azacyclopenta‐2,4‐dienes. The reaction product for R = Me is stabilized by dimerization to give a compound containing a four‐membered –N–Zr–N–Zr– ring and two identical five‐membered 1‐metalla‐2‐aza‐cyclopentadiene rings. In case of R = Ph, a metallacycle could not be isolated, and a pyrimidine was formed. The catalytic potential of this reaction was investigated. For PhN=C(H)Ph, again after insertion and coupling, a corresponding 1‐zircona‐2‐azacyclopenta‐4‐ene was established. The reaction of this compound with carbon dioxide led to ring expansion and formation of a seven‐membered product, which released CO2 at higher temperature and to give back the reactant. The above‐mentioned products were characterized by NMR spectroscopy and single‐crystal X‐ray structure analysis.
Designing Near‐Infrared and Visible Light Emitters by Postsynthetic Modification of Ln+3–IRMOF‐3
Authors: Abdelhameed Reda M. , Carlos Luis D. , Rabu P. , Santos Sérgio M. , Silva Artur M. S. , Rocha João 
Published: September 2014

AbstractThe postsynthetic modification of metal–organic frameworks is a promising new route for engineering optical centres and tuning the light emission properties of materials. Here, the postsynthetic modification of isoreticular metal–organic framework‐3 (IRMOF‐3) with ethyl oxalyl monochloride and ethyl acetoacetate followed by the chelation of trivalent lanthanide ions afforded efficient near‐infrared (Nd3+) and visible (Eu3+ and Tb3+) light emitters. IRMOF‐3 was used as an example owing to its highly porous crystalline structure and the presence of non‐coordinating amino groups on the benzenedicarboxylate (bdc) linker, which are amenable to modification. The conversion of the amino groups was 100 and 65 % for ethyl oxalyl monochloride and ethyl acetoacetate, respectively. The materials were characterised by elemental analysis, powder X‐ray diffraction, optical and scanning electron microscopy, Fourier transform infrared spectroscopy, and solution (1H) and (13C) solid‐state nuclear magnetic resonance spectroscopy. The solid‐state luminescence properties of Ln‐modified IRMOF‐3 were investigated at room temperature. The presence of the bdc aromatic ring, β‐diketonates and oxamate enhanced the Ln3+ sensitization through ligand‐to‐metal energy transfer. The magnetic behaviour of all compounds was further analysed. The spin–orbit coupling and zero‐field splitting parameters were evaluated by fitting the experimental magnetic susceptibility to the analytical expressions for the free Ln3+ ions.
Diffusion‐Ordered Spectroscopy and Saturation Transfer Difference NMR Spectroscopy Studies of Selective Interactions between ELAV Protein Fragments and an mRNA Target
Authors: Vasile Francesca , Rossi Daniela , Collina Simona , Potenza Donatella 
Published: September 2014

AbstractRecently, the crucial role of post‐transcriptional processes in the control of gene expression opened a new fascinating route to the translation of basic mechanisms into clinical medicine. In this contest, Embryonic Lethal Abnormal Vision (ELAV) proteins represent a family of well‐characterized proteins that bind mRNA molecules and affect their fate and, thus, the amount of corresponding proteins. Interestingly, preliminary data bode well that the ELAV‐mediated mRNA stabilization is a mechanism relevant to Alzheimer's disease. Herein, we report the analysis of four ELAV‐derived peptides (P1–P4) belonging to the RNA recognition motif of ELAV proteins in the presence of an mRNA fragment from tumor necrosis factor α. Advanced NMR techniques were used to gain insights into the interaction mechanism. Saturation transfer difference and diffusion‐ordered NMR spectroscopy experiments showed that appropriate mixtures of peptides (and not each peptide individually) bind effectively to the biological target. The diffusion‐ordered spectroscopy (DOSY) technique was applied here for the first time to the study of mRNA–peptides complexes. For each peptide, the 3D structure was also determined by NOE analysis supported by molecular dynamics simulations.
Risk management at the Illinois Basin – Decatur Project: A FEPs‐based approach
Authors: Hnottavange‐Telleen Ken 
Published: September 2014

AbstractIllinois Basin – Decatur Project (IBDP) evaluates risk as the potential for negative impact to five project values: health and safety, environment, financial, research, and industry stewardship. Goals include monitoring one million metric tonnes of carbon dioxide (CO2) injected about 2,150 meters below the ground surface. Risk treatments address ways in which any project value is at risk: for example, monitoring is designed to narrow parameter uncertainties that are important for system control, research, and public assurance. This paper details the risk management approach undertaken by the IBDP. Although approaches taken by other geologic storage projects are not compared here, some aspects of this project's risk management approach are judged to have been more effective (comprehensiveness; contribution to early‐project organization), and some less effective (execution efficiency and information management). IBDP initially evaluated risk related to 123 Features, Events, and Processes (FEPs). Higher‐risk FEPs provided the basis for writing 88 scenarios, which are the critical entities whose associated risks are tracked and treated. Individuals are assigned to organize and to confirm the execution of risk treatments. Maintaining risk at acceptable levels is a key aspect of performance management. In concept, risk is re‐evaluated before significant new activities and decision points, and after significant new information is received. In practice, project workers are charged to maintain everyday awareness of risk levels in the scenarios already identified, and to be vigilant for the emergence of new risk‐bearing scenarios.Coordinating the activities of multiple organizations presents special risks and challenges. For IBDP, the first risk workshop was a central element in the project kickoff meeting, initiating a risk management process whose application has been a key aspect of project success. Integrated risk management has influenced activities within all IBDP partner organizations, shaped internal and external communications, and contributed to smooth operation of the project's physical components.
Development and implementation of a seismic characterization and CO2 monitoring program for the Illinois Basin – Decatur Project
Authors: Couëslan Marcia L. , Smith Valerie , El‐Kaseeh George , Gilbert John , Preece Nikolas , Zhang Lei , Gulati Jitendra 
Published: September 2014

AbstractThe Illinois Basin – Decatur Project (IBDP) is a carbon capture and storage (CCS) project that is located at the Archer Daniels Midland (ADM) Company's corn processing plant in Decatur, Illinois. The IBDP has an extensive seismic program that was designed to meet site characterization and monitoring objectives that includes two‐dimensional (2D) and three‐dimensional (3D) surface seismic data, time‐lapse 3D vertical seismic profiles (VSPs), and microseismic monitoring. As little deep subsurface data was available within a 20‐mile (32‐km) radius of site, the surface seismic surveys have been important to the site characterization objectives for the project. Through seismic inversion analysis, rock properties such as density, porosity, and rock lithology were derived from the surface seismic data and incorporated into the geologic and geomechanical models for the project. Time‐lapse 3D VSPs are acquired with a permanent geophone array in Geophysical Monitoring Well #1 (GM1). Carbon dioxide (CO2) injection commenced in November 2012, and the first monitor survey was acquired in February 2012 after approximately 70 000 tonnes of CO2 had been injected. While this is a small volume of CO2 to detect seismically, anomalies were identified that may be suggestive of CO2 movement in the Mt Simon Sandstone at the depth of injection. Microseismic activity has been monitored using the geophone array in GM1 and two deep geophones installed in the Injection well (CCS1). A comparison of the different operation parameters with microseismic activity shows a correlation between microseismicity and pressure changes in the formation.
Litho‐facies and reservoir characterization of the Mt Simon Sandstone at the Illinois Basin – Decatur Project
Authors: Leetaru Hannes E. , Freiburg Jared T. 
Published: September 2014

AbstractThe Illinois Basin – Decatur Project (IBDP) is a large‐scale carbon capture and storage (CCS) demonstration project managed by the Midwest Geologic Sequestration Consortium (MGSC). The IBDP is injecting 1 million tonnes of carbon dioxide in the Upper Cambrian Mt Simon Sandstone over three years at a rate of 1000 tonnes per day. The Mt Simon Sandstone can be subdivided into three major units with different geologic and diagenetic histories that have a profound effect on reservoir quality. At the IBDP site, the top of the Mt Simon Sandstone is overlain by 100 m (300 ft) of tight silt and shale in the Eau Claire Formation that forms the primary seal that prevents possible migration of CO2 into the overlying strata. Below the Mt Simon Sandstone is a Pre‐Mt Simon interval that is characterized by its poor reservoir quality. The Pre‐Cambrian basement at this site is composed of rhyolite. Three‐dimensional seismic reflection data from the IBDP suggests that as much as 61 m (200 ft) of local Pre‐Cambrian topographic relief is present in the study area. The Mt Simon Sandstone appears to thin over topographic high areas and thicken in the valleys. At the IBDP, the best reservoir quality rocks are in the lowermost Mt Simon Sandstone where the average porosity is 22% and permeability is 200 mD, respectively. Regional mapping suggests that these Lower Mt Simon reservoirs are widespread within a basin that is centered just slightly north of the Illinois Basin depocenter.
Local manganese chloride treatment accelerates fracture healing in a rat model
Authors: Hreha Jeremy , Wey Aaron , Cunningham Catherine , Krell Ethan S. , Brietbart Eric A. , Paglia David N. , Montemurro Nicholas J. , Nguyen Daniel A. , Lee Yung‐Jae , Komlos Daniel , Lim Elisha , Benevenia Joseph , O'Connor J. Patrick , Lin Sheldon S. 
Published: September 2014

ABSTRACTThis study investigated the effects of local delivery of manganese chloride (MnCl2), an insulin‐mimetic compound, upon fracture healing using a rat femoral fracture model. Mechanical testing, histomorphometry, and immunohistochemistry were performed to assess early and late parameters of fracture healing. At 4 weeks post‐fracture, maximum torque to failure was 70% higher (P < 0.05) and maximum torsional rigidity increased 133% (P < 0.05) in animals treated with 0.125 mg/kg MnCl2 compared to saline controls. Histological analysis of the fracture callus revealed percent new mineralized tissue was 17% higher (P < 0.05) at day 10. Immunohistochemical analysis of the 0.125 mg/kg MnCl2 treated group, compared to saline controls, showed a 379% increase in the density of VEGF‐C+ cells. In addition, compared to saline controls, the 0.125 mg/kg MnCl2 treated group showed a 233% and 150% increase in blood vessel density in the subperiosteal region at day 10 post‐fracture as assessed by detection of PECAM and smooth muscle α actin, respectively. The results suggest that local MnCl2 treatment accelerates fracture healing by increasing mechanical parameters via a potential mechanism of amplified early angiogenesis leading to increased osteogenesis. Therefore, local administration of MnCl2 is a potential therapeutic adjunct for fracture healing. © 2014 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 33:122–130, 2015.
Timing of nimodipine therapy for the treatment of vocal fold paralysis
Authors: Sridharan Shaum S. , Rosen Clark A. , Smith Libby J. , Young VyVy N. , Munin Michael C. 
Published: September 2014

Objectives/HypothesisTo retrospectively determine optimal timing for initiation of nimodipine within a cohort of patients with acute vocal fold paralysis (VFP).Study DesignRetrospective patient review.MethodsSubjects were divided into three groups: initiation within 15 days postinjury (n = 19), between 15 and 30 days postinjury (n = 23), or greater than 30 days postinjury (n = 11).ResultsFifty‐one patients (53 paralyzed vocal folds [VFs]) met entrance criteria and were offered and started off‐label nimodipine treatment. Thirty‐six of 53 VFs recovered purposeful motion (67.9%). There was no significant difference in the rate of VF recovery among patients who began nimodipine within 15 days (68.4%), patients who started nimodipine between 15 and 30 days (73.9%) of nerve injury (P = .1405), and patients who initiated nimodipine after 30 days postinjury (54.5%).ConclusionsNimodipine treatment for acute VFP yielded equal VF motion recovery rates regardless of when the medication was initiated. Time to recovery of motion was not different between groups studied.Level of Evidence4 Laryngoscope, 125:186–190, 2015
Prognostic value of hypoxia‐associated markers in advanced larynx and hypopharynx squamous cell carcinoma
Authors: Bernstein Jonathan M. , Andrews Timothy D. , Slevin Nick J. , West Catharine M. L. , Homer Jarrod J. 
Published: September 2014

Objectives/HypothesisTo determine the prognostic value of hypoxia‐associated markers carbonic anhydrase‐9 (CA‐9) and hypoxia‐inducible factor‐1α (HIF‐1α) in advanced larynx and hypopharynx squamous cell carcinoma (SCCa) treated by organ preservation strategies.Study DesignRetrospective cohort study.MethodsPretreatment CA‐9 and HIF‐1α expression, clinicopathologic data, and tumor volume were analyzed in a series of 114 patients with T3–4 SCCa larynx or hypopharynx treated by (chemo)radiation.ResultsAdverse prognostic factors for locoregional control were T4 classification (P = 0.008), and for disease‐specific survival were CA‐9 positivity (P = 0.039), T4 classification (P = 0.001), larger tumor volume (P = 0.004), N1–3 classification (P = 0.002), and pretreatment hemoglobin < 13.0 g/dl (P = 0.014). With increasing CA‐9 expression, there was a trend to increasing tumor recurrence (Ptrend = 0.009) and decreasing survival (Ptrend = 0.002). On multivariate analysis, independent variables were T4 classification (hazard ratio [HR] 13.54, P = 0.01) for locoregional failure, and CA‐9 positivity (HR = 8.02, P = 0.042) and higher tumor volume (HR = 3.33, P = 0.007) for disease‐specific mortality.ConclusionThis is the first study to look specifically at T3 and T4 SCCa larynx and hypopharynx for a relationship between hypoxia‐associated marker expression and clinical outcome. Pretreatment immunohistochemical CA‐9 expression is an adverse prognostic factor for disease‐specific survival, indicating that CA‐9 expression may confer a more aggressive tumor phenotype.Level of Evidence4. Laryngoscope, 125:E8–E15, 2015
MiR‐506 inhibits multiple targets in the epithelial‐to‐mesenchymal transition network and is associated with good prognosis in epithelial ovarian cancer
Authors: Sun Yan , Hu Limei , Zheng Hong , Bagnoli Marina , Guo Yuhong , Rupaimoole Rajesha , Rodriguez‐Aguayo Cristian , Lopez‐Berestein Gabriel , Ji Ping , Chen Kexin , Sood Anil K , Mezzanzanica Delia , Liu Jinsong , Sun Baocun , Zhang Wei 
Published: September 2014

AbstractExtensive investigations have shown that miRNAs are important regulators of epithelial‐to‐mesenchymal transition (EMT), mainly targeting the transcriptional repressors of E‐cadherin (E‐cad). Less is known about the post‐transcriptional regulation of vimentin or N‐cadherin (N‐cad) in EMT. Our previous study identified miR‐506 as a key EMT inhibitor through directly targeting the E‐cad transcriptional repressor SNAI2. In this study, we provide evidence that miR‐506 simultaneously suppresses vimentin and N‐cad. The knockdown of vimentin using siRNA reversed EMT, suppressed cell migration and invasion, and increased E‐cad expression on the cell membrane in epithelial ovarian cancer (EOC) cells. In a set of tissue microarrays that included 204 EOCs of all major subtypes (eg serous, endometrioid, clear cell, and mucinous), miR‐506 was positively correlated with E‐cad and negatively correlated with vimentin and N‐cad in all subtypes of EOC. A high level of miR‐506 was positively associated with early FIGO stage and longer survival in EOC. Introduction of miR‐506, mediated by nanoparticle delivery, in EOC orthotopic mouse models resulted in decreased vimentin, N‐cad, and SNAI2 expression and increased E‐cad expression; it also suppressed the dissemination of EOC cells. Thus, miR‐506 represents a new class of miRNA that regulates both E‐cad and vimentin/N‐cad in the suppression of EMT and metastasis. Copyright © 2014 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.