bluuebunny/crossref_metadata_2025_split huggingface dataset:
Foldameric β‐H18/20P Mixed Helix Stabilized by Head‐to‐Tail Contacts: A Way to Higher‐Order Structures
Authors: Szolnoki Éva , Hetényi Anasztázia , Mándity István M. , Fülöp Ferenc , Martinek Tamás A. 
Published: April 2013

AbstractPeptidic foldamers are known to exhibit increased diversity in the periodic secondary‐structure space in comparison with their natural counterparts, but their higher‐order self‐organization has been studied less thoroughly. In theory, large‐diameter peptide foldamer helices have the capability of self‐recognition through axial helix–helix interactions (e.g., head‐to‐tail), but this phenomenon has previously been observed in only one instance. In this article we report on the discovery of the largest‐diameter β‐peptidic mixed helix to date, the H18/20P helix. Its formation is solvent‐dependent and its folding occurs cooperatively through head‐to‐tail self‐assembly in solution. These findings suggest that axial helix–helix interactions can serve as a new mode for the formation of tertiary/quaternary structures for peptide foldamers, which also show higher‐order structural diversity than natural proteins.
A Convenient Route to 1‐Alkyl‐5‐trifluoromethyl‐1,2,3‐triazole‐4‐carboxylic Acids Employing a Diazo Transfer Reaction
Authors: Iminov Rustam T. , Mashkov Alexander V. , Chalyk Bohdan A. , Mykhailiuk Pavel K. , Tverdokhlebov Anton V. , Tolmachev Andrey A. , Volovenko Yulian M. , Shishkin Oleg V. , Shishkina Svetlana V. 
Published: April 2013

AbstractThe reaction of ethyl 3‐(alkylamino)‐4,4,4‐trifluoro‐but‐2‐enoates with mesyl azide in the presence of 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) gave ethyl 1‐alkyl‐5‐trifluoromethyl‐1,2,3‐triazole‐4‐carboxylates in good yields. Further hydrolysis of the ester group afforded the title compounds on a multigram scale.
Dinuclear Chloride‐Binding Foldamers Based on Fluorescent Oligoureas
Authors: Yang Peiju , Wang Jiamin , Jia Chuandong , Yang Xiao‐Juan , Wu Biao 
Published: April 2013

AbstractA series of dinuclear chloride‐binding foldamers – (TEA)2[L1Cl2]·Et2O (1), (TEA)2[L2Cl2] (2), (TBA)2[L3Cl2] (3), (TBA)2[L4Cl2] (4), [K(18‐crown‐6)]2[L4Cl2]·H2O (5), and (TBA)2[L5Cl2]·H2O (6) – have been synthesized from naphthyl‐ and anthracenyl‐decorated oligoureas (tetrakisurea to hexakisurea, L1–L5). In the crystal structures of 1–6, the oligoureas adopt helical conformations and two chloride anions are bound inside by the urea groups. The solution binding properties of L1–L5 toward chloride ion were investigated by 1H NMR and fluorescence spectroscopy. Upon binding of the anions, characteristic downfield shifts of the NH signals and enhanced fluorescent emission relative to the free ligands were observed. In DMSO solution, the ligands each display a 1:1 binding ratio to chloride, with association constants of K = 1.16–7.58 × 102 M–1, which contrasts with the 1:2 (host to guest) binding mode in the crystal structures. However, the formation of dinuclear foldamers in the less polar solvent CHCl3 was indicated by the HRMS (ESI) spectra.
The Influence of Boronate Groups on the Selectivity of the Br–Li Exchange in Model Dibromoaryl Boronates
Authors: Durka Krzysztof , Luliński Sergiusz , Smętek Jaromir , Dąbrowski Marek , Serwatowski Janusz , Woźniak Krzysztof 
Published: April 2013

AbstractThe selectivity of the Br/Li exchange reaction of 6‐butyl‐2‐(2,5‐dibromophenyl)‐1,3,6,2‐dioxazaborocane (2,5‐Br2C6H3B(OCH2CH2)2NBu) and the analogous anionic derivatives, 2,5‐Br2C6H3B(OiPr)3Li and 2,5‐Br2C6H3BF3K, was investigated using nBuLi as the lithiating reagent. In the case of the former compound there was a slight preference for lithiation at the 5‐position. For 2,5‐Br2C6H3B(OiPr)3Li, the lithiation occured exclusively at C5, but for 2,5‐Br2C6H3BF3K, 2‐lithiation was preferred. Calculations performed for the lithiation of ortho‐ and meta‐brominated phenyl boronates revealed that ortho‐lithiated aryl boronates are thermodynamically more stable, but that the Br/Li exchange is generally dictated by kinetics, which accounts for the variation of selectivity depending on the type of boronate group. In addition, the successful generation of the 2,5‐dilithiophenyl boronate species 2,5‐Li2C6H3B(OCH2CH2)2NBu by a double Br/Li interconversion is reported. The Br/Li exchange in the related 6‐butyl‐2‐[3‐(2,5‐dibromothienyl)]‐1,3,6,2‐dioxazaborocane, 2,5‐Br2‐3‐ThB(OCH2CH2)2NBu, occured preferentially at the 5‐position, but the product was readily transformed into the more stable 2‐lithiated isomer. The use of 2 equiv. of nBuLi resulted in the efficient formation of the dilithiated species, 2,5‐Li2‐3‐ThB(OCH2CH2)2NBu. The obtained lithiated aryl boronates were converted into functionalized arylboronic acids by treatment with selected electrophiles.
Stress tensor changes related to fluid injection at The Geysers geothermal field, California
Authors: Martínez‐Garzón Patricia , Bohnhoff Marco , Kwiatek Grzegorz , Dresen Georg 
Published: April 2013

AbstractStudying variations of the stress field in reservoirs caused by massive fluid injection is important toward an improved understanding of geomechanical processes involved. We report on spatio‐temporal variations of the local stress tensor orientation at The Geysers geothermal field, California. We apply two stress inversion methods with detailed uncertainty assessments using a selection of events recorded between 2007 and 2012. Our results clearly indicate variations in the orientation of the principal stress axes for the reservoir as a whole showing a normal faulting regime at the reservoir depth between 2 and 3.7 km bounded by a strike‐slip regime above and below. Analyzing the temporal evolution of the stress tensor orientation for a prominent seismicity cluster we observe a clear correlation of changes in orientation for σ1–3 with the highest injection rates. These results suggest that temporal changes in the stress tensor orientation could contribute to characterize reservoirs during stimulation.
Nutrient enrichment of the subarctic Pacific Ocean pycnocline
Authors: Whitney Frank A. , Bograd Steven J. , Ono Tsuneo 
Published: April 2013

AbstractAt the end of the global thermohaline circulation, the subarctic Pacific is the richest nutrient repository in the world oceans. Trends towards lower oxygen and higher nutrients in waters below the surface layer (the pycnocline) have been observed in recent decades. We assess these trends using data from four programs and suggest the enrichment of pycnocline nitrate (200 Gmol y−1) is essential in keeping supply to the surface ocean constant, despite increasing upper ocean stratification. A nitrate budget helps identify possible vertical processes that could account for nutrient redistribution. We hypothesize that warming and oxygen loss in the deeper pycnocline, arising from ice loss in the Okhotsk Sea, have initiated a largely vertical redistribution of nutrients due to compression of vertical migrator habitat and/or changes in dissolution of sinking particulates. Coupled climate‐ecosystem models will need to incorporate these processes to more fully understand projected changes in the subarctic Pacific.
Web Tools for Predicting Metal Binding Sites in Proteins
Authors: Sobolev Vladimir , Edelman Marvin 
Published: April 2013

AbstractApproximately one third of proteins bind metal ions for stability and/or enzymatic function. However, on a structural level, only a small fraction of binding sites have been resolved. Metal binding site predictions can serve as a first step in putative function assignment for many unannotated proteins. Sequence based and structure based methods for metal binding site predictions are reviewed here. The CHED and SeqCHED methods of prediction from apo protein structures and translated gene sequences, respectively, are described in detail, including their web server applications. The relevance of SeqCHED to the analysis of single nucleotide polymorphisms (SNPs) associated with disease related metal binding sites is illustrated.
MODELLING OF AN IRRIGATION SCHEME WITH SEDIMENT‐LADEN WATER FOR IMPROVED WATER MANAGEMENT: A CASE STUDY OF SUNSARI MORANG IRRIGATION SCHEME, NEPAL
Authors: Paudel Krishna P. , Schultz Bart , Depeweg Herman 
Published: April 2013

ABSTRACTIrrigation schemes with sediment‐laden water are generally performing significantly below expectation and potential. Managing such irrigation schemes is challenging as in most cases the management aspects of sediment transport were not included in the design process and in some cases the proposed management plans are difficult to follow. The sediment transport process is affected by the flow conditions in the canal, and the latter are affected by the canal operation modes. Hence, system management is one of the important aspects that influence the sediment transport process. The mathematical model SETRIC has been used to analyse the existing management mode and its effect on the sediment transport process of the Sunsari Morang Irrigation Scheme in Nepal. Evaluation showed that the sub‐secondary canals of the Secondary Canal S9 have different sediment transport capacities. Some canals are facing more deposition problems than others. The problem is further increased by the existing water delivery mode. The modelling results show that it is possible to reduce sedimentation problems by improving existing water management practices. The proposed water management plan, based on the existing infrastructure, could be implemented to address the sediment transport problems in this scheme and other schemes with appropriate adaptation. Copyright © 2013 John Wiley & Sons, Ltd.
Comparative Cytotoxicity, Oxidative Stress, and Cytokine Secretion Induced by Two Cyanotoxin Variants, Microcystin LR and RR, in Human Intestinal Caco‐2 Cells
Authors: Huguet Antoine , Henri Jérôme , Petitpas Mélanie , Hogeveen Kevin , Fessard Valérie 
Published: April 2013

ABSTRACTWhile MC‐LR and MC‐RR share significant structural similarity, MC‐RR is less cytotoxic than MC‐LR. In the current study, we have compared the effects of MC‐LR and MC‐RR in Caco‐2 cells by evaluating cytotoxicity, oxidative stress (reactive oxygen species production), and the cellular proinflammatory response (IL‐6 and IL‐8 production). Following treatment with 100 µM microcystins (MC), cytotoxicity was two‐fold greater with MC‐LR as compared to MC‐RR after 24 h exposure. Whereas the reactive oxygen species production and IL‐6 secretion were similar following a 24‐h treatment with either MC, 100 µM MC‐LR induced a five‐fold greater IL‐8 secretion when compared to MC‐RR. Our study has demonstrated that, although both MC‐LR and MC‐RR induced some cytotoxicity in human intestinal cells, a major difference in IL‐8 production was observed between the two variants. © 2013 Wiley Periodicals, Inc. J BiochemMol Toxicol 27:253‐258, 2013; View this article online at wileyonlinelibrary.com. DOI 10.1002/jbt.21482
Neuroprotective Effects of Erythropoietin in Patients with Carbon Monoxide Poisoning
Authors: Pang Li , Bian Miao , Zang Xiu‐Xian , Wu Yang , Xu Da‐Hai , Dong Ning , Wang Zhi‐Hao , Yan Bai‐Ling , Wang Da‐Wei , Zhao Hui‐Jie , Zhang Nan 
Published: April 2013

ABSTRACTThe purpose of this study was to evaluate the efficacy of erythropoietin (EPO) for treating patients with carbon monoxide (CO) poisoning. We conducted a randomized, prospective study of 103 patients with CO poisoning in two groups: an EPO group (n = 54; patients received EPO) and a placebo group (n = 49; patients received normal saline). The study endpoints were the functional outcome at day 30 (the Barthel index and neurologic sequelae), National Institutes of Health Stroke Scale (NIHSS) score, and the levels of S‐100β. At 18 days, the NIHSS score improved significantly and S‐100β levels significantly decreased in patients in the EPO group. At 30 days, patients in the EPO group had a superior Barthel index and fewer patients had delayed neurologic sequelae (DNS). This study demonstrated that early administration of EPO to patients with CO poisoning improved neurological outcomes and reduced the incidence of DNS. © 2013 Wiley Periodicals, Inc. J BiochemMol Toxicol 27:266‐271, 2013; View this article online at wileyonlinelibrary.com. DOI 10.1002/jbt.21484
Bilateral pallidal stimulation for Wilson's disease
Authors: Sidiropoulos Christos , Hutchison William , Mestre Tiago , Moro Elena , Prescott Ian A. , Mizrachi Alejandro Valencia , Fallis Melanie , Rughani Anand I. , Kalia Suneil K. , Lozano Andres , Fox Susan 
Published: April 2013

ABSTRACTBackgroundTo report on the clinical efficacy of bilateral globus pallidus internus deep brain stimulation in a 29‐year‐old patient with severe generalized dystonia secondary to Wilson's disease.MethodsThe primary outcome measure was the Burke‐Fahn‐Marsden Dystonia Scale motor severity score (blinded assessment) and the secondary outcome measures were the Abnormal Involuntary Movement Scale (blinded assessment) and the Zaritt Caregiver Burden Interview score, at 20‐week postoperative follow up.ResultsThere was a 14% improvement in the Burke‐Fahn‐Marsden Dystonia Scale motor severity score. Abnormal Involuntary Movement Scale score remained unchanged while the Zaritt Caregiver Burden Interview score improved by 44.4%.ConclusionsBilateral globus pallidus deep brain stimulation can be effective in ameliorating dystonia and caregiver burden in Wilson's disease. Outcomes may depend on the stage of the disease at which the surgical procedure is completed. © 2013 Movement Disorder Society
A series of 238 cytomegalovirus primary infections during pregnancy: description and outcome
Authors: Picone O. , Vauloup‐Fellous C. , Cordier A. G. , Guitton S. , Senat M. V. , Fuchs F. , Ayoubi J. M. , Grangeot Keros L. , Benachi A. 
Published: April 2013

ABSTRACTObjectiveTo analyze the outcome of maternal primary cytomegalovirus (CMV) infection.MethodsRetrospective analysis of a cohort of 238 patients with maternal primary CMV infection detected at routine screening. The cases were managed with serial ultrasound (US) scans, and amniocentesis was performed in 36.1% of cases. All prenatal results were confirmed at birth.ResultsThe average age was 31.9 (18–44) years. Patients were symptomatic in 21% of cases. The rate of intrauterine transmission was 24.9%, and it was 8.8%, 19%, 30.6%, 34.1% and 40% in the preconceptional period, the periconceptional period, and the first, second and third trimesters of pregnancy, respectively (p = 0.025). There was a significantly higher risk of US abnormalities when maternal infection occurred during the preconceptional or periconceptional period and the first trimester compared with later (p < 0.001). Because of US abnormalities, pregnancy was terminated in 18 cases at the parents' request. Three infected newborns were symptomatic; all three cases were suspected at US before birth. We did not observe any symptomatic fetal infection when maternal infection occurred after 14 weeks of gestation. A number of clinically asymptomatic cases (5.5%) developed hearing loss.ConclusionThe rate of materno fetal transmission is linearly correlated to the gestational age at infection. No severe case of congenital infection was observed if maternal infection occurred after 14 weeks of gestation. © 2013 John Wiley & Sons, Ltd.
Gestational age and maternal weight effects on fetal cell‐free DNA in maternal plasma
Authors: Wang Eric , Batey Annette , Struble Craig , Musci Thomas , Song Ken , Oliphant Arnold 
Published: April 2013

ABSTRACTObjectiveTo determine the effects of gestational age and maternal weight on percent fetal cell‐free DNA (cfDNA) in maternal plasma and the change in fetal cfDNA amounts within the same patient over time.MethodsThe cfDNA was extracted from maternal plasma from 22 384 singleton pregnancies of at least 10 weeks gestation undergoing the HarmonyTM Prenatal Test. The Harmony Prenatal Test determined fetal percentage via directed analysis of cfDNA.ResultsAt 10 weeks 0 days to 10 weeks 6 days gestation, the median percent fetal cfDNA was 10.2%. Between 10 and 21 weeks gestation, percent fetal increased 0.1% per week (p < 0.0001), and 2% of pregnancies were below 4% fetal cfDNA. Beyond 21 weeks gestation, fetal cfDNA increased 1% per week (p < 0.0001). Fetal cfDNA percentage was proportional to gestational age and inversely proportional to maternal weight (p = 0.0016). Of 135 samples that were redrawn because of insufficient fetal cfDNA of the initial sample, 76 (56%) had greater than 4% fetal cfDNA in the sample from the second draw.ConclusionFetal cfDNA increases with gestation, decreases with increasing maternal weight, and generally improves upon a blood redraw when the first attempt has insufficient fetal cfDNA. © 2013 John Wiley & Sons, Ltd.
Living with Diabetes: an educational model of care for new onset diabetes
Authors: Shaban Clare , Jenkins Emma , Knott Julia , Ryder Jacqueline , Cavan David 
Published: April 2013

AbstractThe first year following diagnosis is a critical time for those newly diagnosed with type 1 diabetes and is likely to influence long‐term glycaemic control.This paper describes a group education programme, Living with Diabetes (LwD), and reports the outcome data at one year and three years after diagnosis. HbA1c was compared with outcomes from the cohort diagnosed during the four years prior to the inception of LwD.We have demonstrated that, in terms of HbA1c, the programme achieved outcomes similar to the traditional model with similar staff resources. The LwD pathway required an additional 2.9 hours per patient but HbA1c values were consistently lower in those who attended all sessions.The data suggest the need for more concerted attention to engage patients in an ongoing care pathway during the early years following diagnosis. An evaluation of the programme suggested that patients valued the relaxed non‐hierarchical nature of the group and the opportunity to share with and ask questions of their peers. Copyright © 2013 John Wiley & Sons.
Introducing a diabetes e‐learning module: a means of improving junior doctors' confidence and ability in managing inpatients with diabetes
Authors: Al‐Yassin A , Al‐Khaja A , Jichi F , Clarke C , Lisk C , Katz JR 
Published: April 2013

AbstractThe aims of this study were to determine whether the introduction of a diabetes management e‐module can increase junior doctors' confidence in managing inpatients with diabetes and contribute to improvements in patient care.A diabetes e‐module was introduced at Barnet and Chase Farm Hospitals NHS Trust in October 2010. Junior doctors completed it and undertook an online exam at the end. Junior doctors were surveyed once, six to eight months after completing the e‐module, and retrospectively ranked their confidence and knowledge levels in managing inpatients with diabetes before and after completing the e‐module. Patient care was assessed by comparing the National Diabetes Inpatient Audit (NaDIA) findings at Barnet Hospital before and at two time points after the introduction of the e‐module.After undertaking the e‐module there were statistically significant increases in the self‐ranked confidence and knowledge levels of junior doctors regarding diabetes management. This included improvements in identifying different types of insulin, making insulin dose adjustments for hypoglycaemia/hyperglycaemia and a reduction in reported prescription errors. The results from the NaDIA also suggest an improvement in ‘good diabetes days’ for insulin‐treated patients with diabetes and a pattern of reduction in prescription and management errors.This study demonstrates that an inpatient diabetes management e‐module increases junior doctors' knowledge and confidence in managing diabetes. A multi‐centre study would be needed to confirm whether this translates into better management of inpatients with diabetes. E‐modules may be used to cover further topics in diabetes, and to support nursing and patient education. Copyright © 2013 John Wiley & Sons. Practical Diabetes 2013; 30(3): 122–127
Electrochemical synthesis of poly(indole‐co‐thiophene) on low‐nickel stainless steel and its anticorrosive performance in 0.5 mol L−1H2SO4
Authors: Gopi Dhanaraj , Saraswathy Ramanathan , Kavitha Louis , Kim Dae‐Kyeong 
Published: April 2013

AbstractThe electrochemical synthesis of poly(indole‐co‐thiophene) copolymer coatings was achieved on low‐nickel stainless steel (LN SS) with the cyclic voltammetry technique using indole and thiophene monomers in acetonitrile medium containing lithium perchlorate. The optimization of synthesis parameters such as monomer feed ratio and various scan rates was studied and also their influence on the morphology of the copolymer coatings on LN SS. For the first time, a possible radical cationic electro‐copolymerization mechanism is also proposed in order to understand the electrochemical synthesis. The bonding and structure of the as‐synthesized coatings were characterized using Fourier transform infrared and 1H NMR spectroscopies. The surface morphology and composition of the coatings were also assessed using scanning electron microscopy and energy‐dispersive X‐ray analysis. It was observed that changes in morphology occurred which had a marked and significant effect on the electrochemical behaviour of the coated LN SS confirmed using electrochemical techniques of potentiodynamic polarization and electrochemical impedance spectroscopy in aqueous 0.5 mol L−1 H2SO4 solution. The obtained results revealed that the copolymer coatings on LN SS provided significant corrosion protection in the acid medium. It was also found that a 1:1 ratio of indole to thiophene yielded the most stable and corrosion‐protective copolymer coating. © 2013 Society of Chemical Industry
Peculiarities in the pressure dependence of photoluminescence in InAlN
Authors: Kaminska Agata , Nowakowski Piotr , Staszczak Grzegorz , Suski Tadeusz , Suchocki Andrzej , Carlin Jean‐François , Grandjean Nicolas , Martin Robert , Yamamoto Akio 
Published: April 2013

AbstractStudies of ambient‐pressure and high‐pressure behavior of photoluminescence (PL) for series of InxAl1−xN layers are presented. The measured evolution of PL energy (EPL) with x is characterized by a clear decrease of EPL and exhibits a strong bowing. This dependence corresponds to the predictions of ab initio calculations of the band‐gap energy changes EG with x. However, values of EPL are clearly lower than EG, for 0<x<0.3. For higher x, the measured EPL follows well the calculated EG. The experimentally determined pressure coefficient of PL energy (dEPL/dp) shows a complicated behavior for alloys with different In‐content. We found a strong reduction of dEPL/dp for 0<x<0.3 and a relatively constant magnitude of this coefficient for higher x. Moreover, for the lower x region, we observed dEPL/dp that can differ even by a factor two in samples with nominally very similar In‐content. The general tendency in dEPL/dp evolution with x corresponds to lower values than calculated dEG/dp for alloys with non‐uniform indium distribution. We propose two not necessary independent explanations of these experimental findings. First, due to non‐uniform In distribution (induced, e.g. by defects or non‐homogeneous strain) both EPL and dEPL/dp are reduced. Second, a similar behavior results from an involvement of the localized states, whose formation and contribution to PL can be induced by strain and/or native defects. In both hypotheses, the strain/defect density can significantly change around x ≈ 0.18 where InxAl1−xN layers are lattice matched to GaN template.