bluuebunny/crossref_metadata_2025_split huggingface dataset:
Levulinic Acid Biorefineries: New Challenges for Efficient Utilization of Biomass
Authors: Pileidis Filoklis D. , Titirici Maria‐Magdalena 
Published: February 2016

AbstractLevulinic acid is a sustainable platform molecule that can be upgraded to valuable chemicals and fuel additives. This article focuses on the catalytic upgrading of levulinic acid into various chemicals such as levulinate esters, δ‐aminolevulinic acid, succinic acid, diphenolic acid, γ‐valerolactone, and γ‐valerolactone derivatives such valeric esters, 5‐nonanone, α‐methylene‐γ valerolactone, and other various molecular‐weight alkanes (C9 and C18–C27 olefins).
Mechanism and Kinetics of Oligosilsesquioxane Growth in the In Situ Water Production Sol–Gel Route: Dependence on Water Availability
Authors: Borovin Evgeny , Callone Emanuela , Ribot Francois , Diré Sandra 
Published: February 2016

AbstractThiol‐functionalized nanobuilding blocks (NBBs) were synthesized from 3‐mercaptopropyltrimethoxysilane by using the in situ water production (ISWP) process in which the water needed to hydrolyze the precursor was provided by means of an esterification reaction. In the present study the reaction between 1‐propanol and chloroacetic acid was used. Whereas the growth of the Si oligomers was followed at room temperature and 100 °C using 1D 29Si and 2D 1H–29Si heteronuclear single quantum correlation (HSQC) NMR spectroscopic experiments, the amount of water delivered along the process was followed by means of 1H NMR spectroscopy. The results show a good correlation between the evolution of the degree of condensation and the amount of water produced in situ. They also point to the preferential formation of cagelike structures and the narrowing of the species distribution over long reaction times. The average size of the growing oligomers was estimated from their diffusion coefficient, which was measured by means of 1H diffusion‐ordered NMR spectroscopy (DOSY NMR). Like gel permeation chromatography, DOSY NNR showed a plateau between 70 to 100 hours in the growth of the oligomers, a time at which, according to 29Si NMR spectroscopy, the well‐defined octakis(3‐mercaptopropylsilsesquioxane) is the major species.
Binary B4S4 Rhombic Clusters as Promising Inorganic Ligands for ­Triple‐Decker Sandwich Complexes
Authors: Li Da‐Zhi , Zhang Shi‐Guo , Dong Chen‐Chu 
Published: February 2016

AbstractDesigning new forms of ligands and their sandwich‐type analogs is the beginning of building multidecker metallic sandwich clusters and their infinite one‐dimensional molecular wires. Here, we report on two binary B–S clusters: C2v B4S4 (1, 1A1) and D2h B4S4– (2, 2B2u) with rhombic B2S2 as the core are their global minimum structures based upon global searches and electronic structure calculations at the B3LYP and coupled‐cluster theory [CCSD(T)] levels. The global‐minimum structures 1 and 2 can be formulated as B2S2(BS)2 and feature B2S2 four‐membered rings as the core, with two –BS terminal groups attached terminally, closely resembling B2S2H2 with a rhombic B2S2 core and obtainable from the latter by isovalent BS/H substitution. Bonding analyses reveal a 4c–4e o‐bond in C2v B4S4 (1, 1A1), which is 4π systems in the nonbonding/bonding combination, in contrast to the antibonding/bonding combination in a classical 4π antiaromatic hydrocarbon such as cyclobutadiene (C4H4). The electronic properties of the global‐minimum 1 and 2 clusters are predicted. C2v B4S4 (1, 1A1) is predicted to be effective as an inorganic ligand to form triple‐decker sandwich‐type transition‐metal complexes, such as D2h (B4S4)3M2 (M = Ni, Pd, and Pt). These complexes, considering the formation energies, are found to be particularly stable. The sandwich structural pattern developed in this work expands the transition‐metal complexes by introducing inorganic C2v B4S4 (1, 1A1) into traditional triple‐decker sandwich structures and may be extended to form one‐dimensional transition‐metal sandwich polymers [M(B4S4)]∞ (M = Ni, Pd, and Pt).
Sr2Pd4Al5: Synthesis, Crystal and Electronic Structures, and Chemical Bonding of a Polar Intermetallic Compound
Authors: Stegemann Frank , Benndorf Christopher , Touzani Rachid St. , Fokwa Boniface P. T. , Janka Oliver 
Published: February 2016

AbstractThe new intermetallic compound Sr2Pd4Al5 was prepared from the elements by reaction in niobium ampoules. The structure was refined from single‐crystal data, which indicate the formation of a new structure type in the orthorhombic crystal system [a = 1814.49(10), b = 431.64(4), c = 1102.47(4) pm] with space group Pnma (wR2 = 0.0251, 1666 F2 values, 68 parameters). Full ordering of the transition‐metal and aluminum sites was observed. The compound can be described as a polar intermetallic phase with a polyanionic [Pd4Al5]δ– network; however, a quite unique bonding situation was found within this framework. In addition to the usual Pd–Al bonding, significant contributions to the stability of the framework caused by homoatomic Pd–Pd and Al–Al interactions can also be found. Structural relaxation confirmed the electronic stability and predicted the compound to be a metallic conductor.
Gold‐Mediated Isomerization of ­Cyclooctyne to Ring Fused Olefinic Bicycles
Authors: Das Animesh , Hua Yuanda , Yousufuddin Muhammed , Cundari Thomas R. , Jeon Junha , Dias H. V. Rasika 
Published: February 2016

AbstractIsomerization reactions of cyclooctyne mediated by N‐heterocyclic carbene supported gold(I) leading to ring‐contraction and the formation of 5/5‐fused bicyclic alkenes have been observed. Isolation and complete characterization, including X‐ray structural data of the cationic gold(I) complexes featuring the precursor alkyne and the product alkenes are also described.
A Straightforward Synthesis of 5‐Methylaaptamine from Eugenol, Employing a 6π‐Electrocyclization Reaction of a 1‐Azatriene
Authors: Heredia Daniel A. , Larghi Enrique L. , Kaufman Teodoro S. 
Published: February 2016

AbstractAaptamine, isolated from tropical marine sponges of the Demospongiae class, is the most prominent member of a growing family of natural products. Many aaptaminoids have been shown to have interesting biological activity. The efficient access to 5‐methylaaptamine, an unnatural analogue of aaptamine, was achieved by using economic and naturally‐occurring eugenol as the starting material. The synthesis involved the preparation of a 5‐aminoeugenol derivative through successive nitration, O‐methylation, and nitro group reduction reactions. An Elderfield–Johnson sequence was employed to synthesize the N‐tosyl‐5‐allyl‐7,8‐dimethoxydihydro‐1H‐quinolin‐4‐one ring system. A catalytic double‐bond isomerization followed by a carbonyl methoximation and 6‐π electrocyclization of the 1‐azatriene motif afforded the 2,3‐dihydro‐1H‐benzo[de][1,6]naphthyridine tricyclic intermediate, which underwent a reductive desulfonylation and catalytic dehydrogenation to afford the target product.
Pain self‐management training increases self‐efficacy, self‐management behaviours and pain and depression outcomes
Authors: Damush T.M. , Kroenke K. , Bair M.J. , Wu J. , Tu W. , Krebs E.E. , Poleshuck E. 
Published: February 2016

AbstractBackgroundSelf‐management practices among patients with medical and psychiatric comorbidity is not well understood. We assessed the effects of a combined pharmacological and behavioural intervention on self‐efficacy to manage symptoms and self‐management behaviours in patients with pain and comorbid depression.MethodsLongitudinal analysis of self‐management behaviours and their relationship with outcomes in a 12‐month trial of 250 primary care patients with chronic musculoskeletal pain and comorbid depression. Participants were randomized to either usual care or an intervention that consisted of optimized antidepressant therapy followed by six sessions of a pain self‐management (PSM) programme.ResultsParticipants in the intervention group significantly increased the time spent performing self‐management behaviours including strengthening and stretching exercises, progressive muscle relaxation and visualization at 12 months. Moreover, intervention participants reported greater self‐efficacy to manage their pain and depression. The number of pain self‐management sessions received showed a dose–response relationship with improvement in both pain and depression severity.ConclusionA combined intervention increased patient self‐management behaviours and self‐efficacy to manage symptoms among primary care patients with chronic musculoskeletal pain and depression. Receipt of the full dose of the entire PSM programme was related to improvements in pain interference and depression severity.What does this study add?A nurse‐led six‐session PSM programme increased self‐efficacy as well as specific behaviours such as strengthening and stretching exercises, progressive muscle relaxation and visualization.There was a dose–response in that attending a greater proportion of the PSM sessions led to greater improvement in both pain and depression outcomes.
Association between catechol‐O‐methyl transferase gene polymorphisms and fibromyalgia in a Korean population: A case–control study
Authors: Park D.J. , Kim S.H. , Nah S.S. , Lee J.H. , Kim S.K. , Lee Y.A. , Hong S.J. , Kim H.S. , Lee H.S. , Kim H.A. , Joung C.I. , Kim S.H. , Lee S.S. 
Published: February 2016

AbstractBackgroundAlthough polymorphisms of the catechol‐O‐methyl transferase (COMT) gene have been implicated in altered pain sensitivity, results concerning the association between COMT gene polymorphisms and fibromyalgia (FM) are equivocal. We assessed the associations between COMT single‐nucleotide polymorphisms (SNP) and FM risk and symptom severity.MethodsIn total, 409 FM patients and 423 controls were enrolled. Alleles and genotypes at five positions [rs6269 (A>G), rs4633 (C>T), rs4818 (C>G), rs4680 (C>G) and rs165599 (A>G)] in the COMT gene were genotyped from peripheral blood DNA.ResultsAlleles and genotypes of the rs4818 COMT gene polymorphism were significantly associated with increased susceptibility to FM. The rs4818 GG genotype was more strongly associated with FM compared to the CC genotype (OR = 1.680, 95% CI: 1.057, 2.672, p = 0.027). Although allele and genotype frequencies did not differ among groups, the rs4633 CT genotype was not associated with the presence of FM following adjustment for age and sex (OR = 0.745; 95% CI: 0.558, 0.995; p = 0.046). However, no association was observed between clinical measures and individual COMT SNPs. In haplotype analysis, there was a significant association between ACG haplotype and FM susceptibility sex (OR = 2.960, 95% CI: 1.447, 6.056, p = 0.003) and the number of tender points (p = 0.046).ConclusionsThis large‐scale study suggests that polymorphisms of the COMT gene may be associated with FM risk and pain sensitivity in Korean FM patients. However, our results differed to those of previous studies, suggesting ethnic variation in COMT gene polymorphisms in FM.What does this study addBy contrast to Caucasian and Latin‐American populations, the COMT gene polymorphisms are associated with FM risk and pain sensitivity in Korean FM patients, suggesting ethnic variation in COMT gene polymorphisms.
Analysis of Electrochemical Reduction Process of Graphene Oxide and its Electrochemical Behavior
Authors: Gao Mingming , Xu Yanyan , Wang Xinhua , Sang Yuanhua , Wang Shuguang 
Published: February 2016

AbstractIn this study, the electrochemical reduction process of GO was investigated with structural and electrochemical analysis on a series of step‐reduced ERGOs. Firstly, the disorder of ERGO decreased and its electron conductivity increased significantly at the initial reduction period, from 0 to −0.5 V, together with the desorption of hydroxyl and the formation of carboxyl. Then OCOH was completely reduced to CO at the potential between −1.0 V and −1.4 V. Finally, reduction of CO was observed from −1.6 V to −1.8 V. On the other hand, the step‐reduced ERGO with gradually varying surficial electrochemical properties gave the opportunity for the analysis of a given redox system. The [Fe(CN)6]3−/4− redox reaction was sensitive to the conductivity of modified ERGOs, but insensitive to the oxy‐functional groups. Oppositely, the Q/HQ redox reaction was mainly effected by the quantity of carboxyl. The oxidation of AA was affected by both the conductivity and oxy‐functional groups. Otherwise, electrostatic interaction was exhibited between reactant and ERGOs for all these three reactions.
Synergistic Effects of Carbon Fillers of Phenolic Resin Based Composite Bipolar Plates on the Performance of PEM Fuel Cell
Authors: Gautam R. K. , Kar K. K. 
Published: February 2016

AbstractThe most essential and costly component of polymer electrolyte membrane fuel cells is the bipolar plate. The production of suitable composite bipolar plates for polymer electrolyte membrane fuel cell with good mechanical properties and high electrical conductivity is scientifically and technically very challenging. This paper reports the development of composite bipolar plates using exfoliated graphite, carbon black, and graphite powder in resole‐typed phenol formaldehyde. The exfoliated graphite with maximum exfoliated volume of 570 ± 10 mL g−1 used in this study was prepared by microwave irradiation of chemically intercalated natural flake graphite in a few minutes. The composite plates were prepared by varying exfoliated graphite content from 10 to 35 wt.% in phenolic resin along with fixed weight percentage of carbon black (5 wt.%) and graphite powder (3 wt.%) by compression molding. The composite plates with filler weight percentage of 35/5/3/exfoliated graphite/carbon black/graphite powder offer in‐plane and trough‐plane electrical conductivities of 374.42 and 97.32 S cm−1, bulk density 1.58 g cm−3, compressive strength 70.43 MPa, flexural strength 61.82 MPa, storage modulus 10.25 GPa, microhardness 73.23 HV and water absorption 0.22%. Further, I–V characteristics notify that exfoliated graphite/carbon black/graphite powder/resin composite bipolar plates in unit fuel cell shows better cell performance compared exfoliated graphite/resin composite bipolar plates. The composite plates own desired mechanical properties with low bulk density, high electrical conductivity, and good thermal stability as per the U.S. department of energy targets at low filler concentration and can be used as bipolar plates for proton exchange membrane fuel cells.
Saving Newborn Babies – The Benefits of Interventions in Neonatal Care in Norway over More Than 40 Years
Authors: Grytten Jostein , Monkerud Lars , Skau Irene , Eskild Anne , Sørensen Rune J. , Saugstad Ola Didrik 
Published: February 2016

AbstractThe aim of this study was to examine the effect that the introduction of new medical interventions at birth has had on mortality among newborn babies in Norway during the period 1967–2011. During this period, there has been a significant decline in mortality, in particular for low birth weight infants. We identified four interventions that together explained about 50% of the decline in early neonatal and infant mortality: ventilators, antenatal steroids, surfactant and insure. The analyses were performed on a large set of data, encompassing more than 1.6 million deliveries (Medical Birth Registry of Norway). The richness of the data allowed us to perform several robustness tests. Our study indicates that the introduction of new medical interventions has been a very important channel through which the decline in mortality among newborn babies occurred during the second half of the last century. © 2016 The Authors. Health Economics published by John Wiley & Sons Ltd.
Temporal course and predictive factors of analgesic opioid requirement for chemoradiation‐induced oral mucositis in oropharyngeal cancer
Authors: Alfieri Salvatore , Ripamonti Carla I. , Marceglia Sara , Orlandi Ester , Iacovelli Nicola A. , Granata Roberta , Cavallo Anna , Pozzi Paolo , Boffi Roberto , Bergamini Cristiana , Imbimbo Martina , Pala Laura , Resteghini Carlo , Mirabile Aurora , Locati Laura D. , Licitra Lisa , Bossi Paolo 
Published: February 2016

AbstractBackgroundOral mucositis (OM)‐related pain affects most patients with head and neck cancer during treatments, but its management is not standardized.MethodsWe retrospectively collected data about the opioid therapy used for OM‐induced pain in all patients with oropharyngeal cancer treated with chemoradiotherapy (CRT) between 2009 and 2013. To compare the different opioids, a conversion into oral morphine equivalent daily dose (OMEDD) was performed. The highest OMEDD (h‐OMEDD) and the opioids' weekly increase were associated with patient, tumor, or treatment‐related characteristics in order to identify predictive factors of opioid consumption.ResultsNinety‐seven percent of patients received opioids. The h‐OMEDD was significantly correlated with a higher OM‐grade and a lower smoking history. The weekly opioids' increase was higher in patients with lower smoking history and human papillomavirus (HPV) positivity.ConclusionOpioid therapy remains the mainstay for OM‐related pain management during CRT. The role of previous smoking and HPV on opioid use needs further confirmations. © 2016 Wiley Periodicals, Inc. Head Neck 38: E1521–E1527, 2016
Successful detection of a minute tonsillar cancer lesion on transoral examination with narrow band imaging: A report of 2 cases
Authors: Ebisumoto Koji , Okami Kenji , Sakai Akihiro , Sugimoto Ryousuke , Iida Masahiro 
Published: February 2016

AbstractBackgroundThe improvement of optical enhancement devices, such as narrow band imaging (NBI), has enabled us to visualize lesions that cannot be seen upon macroscopic examination. NBI is useful for detecting subtle lesions, including the primary sites of occult primary cancer.Methods and ResultsWe describe 2 cases of tiny tonsillar cancer with positive p16 staining. Case 1 was as an occult primary cancer, and case 2 had a foreign body sensation of the pharynx. With transoral examination using a flexible video‐laryngoscope with NBI, we successfully detected tonsillar cancer. These patients were treated with surgery, and the patients are currently alive with no evidence of disease more than 1 year posttreatment.ConclusionWe detected a small primary lesion in the palatine tonsil through transoral examination with NBI, which is a simple and noninvasive method. This approach may be useful to detect subtle lesions, especially in patients with human papillomavirus (HPV)‐related tonsillar cancer. © 2016 Wiley Periodicals, Inc. Head Neck 38: E2421–E2424, 2016
Evaluation of impacts of climate change and human activities on streamflow in the Poyang Lake basin, China
Authors: Zhang Qiang , Liu Jianyu , Singh Vijay P. , Gu Xihui , Chen Xiaohong 
Published: February 2016

AbstractVariations in streamflows of five tributaries of the Poyang Lake basin, China, because of the influence of human activities and climate change were evaluated using the Australia Water Balance Model and multivariate regression. Results indicated that multiple regression models were appropriate with precipitation, potential evapotranspiration of the current month, and precipitation of the last month as explanatory variables. The NASH coefficient for the Australia Water Balance Model was larger than 0.842, indicating satisfactory simulation of streamflow of the Poyang Lake basin. Comparison indicated that the sensitivity method could not exclude the benchmark‐period human influence, and the human influence on streamflow changes was overestimated. Generally, contributions of human activities and climate change to streamflow changes were 73.2% and 26.8% respectively. However, human‐induced and climate‐induced influences on streamflow were different in different river basins. Specifically, climate change was found to be the major driving factor for the increase of streamflow within the Rao, Xin, and Gan River basins; however, human activity was the principal driving factor for the increase of streamflow of the Xiu River basin and also for the decrease of streamflow of the Fu River basin. Meanwhile, impacts of human activities and climate change on streamflow variations were distinctly different at different temporal scales. At the annual time scale, the increase of streamflow was largely because of climate change and human activities during the 1970s–1990s and the decrease of streamflow during the 2000s. At the seasonal scale, climate change was the main factor behind the increase of streamflow in the spring and summer season. Human activities increase the streamflow in autumn and winter, but decrease the streamflow in spring. At the monthly scale, different influences of climate change and human activities were detected. Climate change was the main factor behind the decrease of streamflow during May to June and human activities behind the decrease of streamflow during February to May. Results of this study can provide a theoretical basis for basin‐scale water resources management under the influence of climate change and human activities. Copyright © 2016 John Wiley & Sons, Ltd.
Field Evaluation of Irrigation Scheduling Strategies using a Mechanistic Crop Growth Model
Authors: Seidel Sabine J. , Werisch Stefan , Barfus Klemens , Wagner Michael , Schütze Niels , Laber Hermann 
Published: February 2016

AbstractIn a field experiment with white cabbage (Brassica oleracea L. var. capitata (L.) alef.) in Germany, three irrigation scheduling approaches were tested: (i) three sprinkler irrigation schedules based on soil water balance calculations using different development‐dependent crop coefficients; (ii) automatic drip irrigation based on soil water tension thresholds; (iii) irrigation scheduling by real‐time application of a partially calibrated mechanistic crop growth model. Multi‐objective calibration was applied to derive a fully calibrated model as a diagnostic tool to identify the water loss terms of the individual irrigation strategies.The results of the experiment showed that: (i) high yields can be achieved with relatively low amounts of irrigation water (~100 mm), provided the optimal irrigation strategy and technique are applied; (ii) automated tension threshold‐based drip irrigation outperformed soil water balance or crop growth model‐based strategies; (iii) the soil water balance calculation approach relying on recommended Kc factors led to an enormous overirrigation; (iv) the application of a partially calibrated crop growth model led to an underestimation of the crop water requirements in conjunction with an incorrect timing of irrigation events and therefore resulted in the lowest yields. The diagnostic model identified percolation, for the wet sprinkler irrigation treatments, and canopy evaporation, for the dry and model‐based treatments, as major water loss sources; only minimal additional water was lost in the tension‐controlled treatment. Copyright © 2016 John Wiley & Sons, Ltd.