bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Synthesis and Late‐Stage Functionalization of Complex Molecules Through C—H Fluorination and Nucleophilic Aromatic Substitution.
Authors: Fier Patrick S. , Hartwig John F. 
Published: January 2015

AbstractThe selectivity of the first step, the fluorination, is examined on medicinally relevant heteroaromatic substrates with several electronically deferring mono or 3,5‐disubstituted pyridines (such as (XIV)).
ChemInform Abstract: Reaction of 6‐Aminouracils with Aldehydes in Water as Both Solvent and Reactant under FeCl3·6H2O Catalysis: Towards 5‐Alkyl/Arylidenebarbituric Acids.
Authors: Kalita Subarna Jyoti , Mecadon Hormi , Chandra Deka Dibakar 
Published: January 2015

AbstractFor the first time the title products are prepared regioselectively from 6‐aminouracils, which presents an alternative to the known procedures from barbituric acids.
ChemInform Abstract: A New and Efficient One‐Pot Synthesis of 2‐Hydroxy‐1,4‐dihydrobenzoxazines via a Three‐Component Petasis Reaction.
Authors: Chouguiat Louisa , Boulcina Raouf , Carboni Bertrand , Demonceau Albert , Debache Abdelmadjid 
Published: January 2015

AbstractThe secondary amines (I) are synthesized from aminophenols and aromatic aldehydes.
ChemInform Abstract: Fused Heterocyclic Systems with an s‐Triazine Ring. Part 25. A New, One‐Pot, Multicomponent Synthesis of 5‐Aza‐9‐deaza‐adenines under Microwave Irradiation.
Authors: Lim Felicia Phei Lin , Luna Giuseppe , Dolzhenko Anton V. 
Published: January 2015

AbstractThe main advantages of the introduced method are the operational simplicity, accessibility, and high efficiency.
ChemInform Abstract: Hetero‐Diels—Alder Reaction of Phosphorylated Nitroso Alkenes with Enol Ethers on Water: A Clean Approach Toward 1,2‐Oxazine Derivatives.
Authors: de los Santos Jesus M. , Ignacio Roberto , Es Sbai Zouhair , Aparicio Domitila , Palacios Francisco 
Published: January 2015

AbstractThe direct construction of 5,6‐dihydro‐4H‐1,2‐oxazines is achieved through hetero‐Diels—Alder reaction of enol ethers with nitroso alkenes, generated is situ by dehydrohalogenation of oximes bearing an electron withdrawing substituent.
ChemInform Abstract: One‐Pot Preparation of 2‐(Alkyl)arylbenzoselenazoles from the Corresponding N‐(Acetyl)benzoyl‐2‐iodoanilines via a Microwave‐Assisted Methodology.
Authors: Redon Sebastien , Kabri Youssef , Crozet Maxime D. , Vanelle Patrice 
Published: January 2015

AbstractThe novel method allows the synthesis of benzoselenazoles in moderate yields by treatment of N‐acyl‐2‐iodoanilines with Woollins′ reagent under basic conditions.
ChemInform Abstract: Three Aeruginosins and a Microviridin from a Bloom Assembly of Microcystis spp. Collected from a Fishpond Near Kibbutz Lehavot HaBashan, Israel.
Authors: Vegman Margarita , Carmeli Shmuel 
Published: January 2015

AbstractAerugonosins LH650A (‐)‐(Ia), LH650B (‐)‐(Ib), LH606 (‐)‐(II), and microviridin LH1667 (+)‐(III) are isolated and evaluated towards their serine protease inhibitory properties against trypsin and chymotrypsin.
Experimentelle Untersuchung zur Foulingneigung einer Polymerdispersion auf modifizierten Oberflächen
Authors: Gottschalk Nathalie , Kuschnerow Jan C. , Föste Henning , Augustin Wolfgang , Scholl Stephan 
Published: January 2015

AbstractBei der Herstellung und Verarbeitung von Polymerdispersionen ist Fouling, also die unerwünschte Belagbildung auf Oberflächen in Wärmeübertragern und Reaktoren, ein zentrales Problem für die ökonomische und ökologische Effizienz. In dieser Studie wird das Foulingverhalten von Polymerdispersionen auf beheizten und gekühlten Oberflächen untersucht. Dabei wird die Foulingneigung auf Wärmeübertragern in Abhängigkeit von betrieblichen (Wärmestromdichte, Fluidtemperatur, Feststoffkonzentration, Strömungsregime) und apparativen (Oberflächenmodifikation, Beschichtung) Parametern analysiert. Hierbei wurden elektropolierte Oberflächen und bestimmte Parameterkonfigurationen der untersuchten Beschichtungen als weniger foulinganfällig bzw. besser zu reinigen identifiziert.
On the Metabolically Active Form of Metaglidasen: Improved Synthesis and Investigation of Its Peculiar Activity on Peroxisome Proliferator‐Activated Receptors and Skeletal Muscles
Authors: Laghezza Antonio , Montanari Roberta , Lavecchia Antonio , Piemontese Luca , Pochetti Giorgio , Iacobazzi Vito , Infantino Vittoria , Capelli Davide , De Bellis Michela , Liantonio Antonella , Pierno Sabata , Tortorella Paolo , Conte Camerino Diana , Loiodice Fulvio 
Published: January 2015

AbstractMetaglidasen is a fibrate‐like drug reported as a selective modulator of peroxisome proliferator‐activated receptor γ (PPARγ), able to lower plasma glucose levels in the absence of the side effects typically observed with thiazolidinedione antidiabetic agents in current use. Herein we report an improved synthesis of metaglidasen′s metabolically active form halofenic acid (R)‐2 and that of its enantiomer (S)‐2. The activity of the two stereoisomers was carefully examined on PPARα and PPARγ subtypes. As expected, both showed partial agonist activity toward PPARγ; the investigation of PPARα activity, however, led to unexpected results. In particular, (S)‐2 was found to act as a partial agonist, whereas (R)‐2 behaved as an antagonist. X‐ray crystallographic studies with PPARγ were carried out to gain more insight on the molecular‐level interactions and to propose a binding mode. Given the adverse effects provoked by fibrate drugs on skeletal muscle function, we also investigated the capacity of (R)‐2 and (S)‐2 to block conductance of the skeletal muscle membrane chloride channel. The results showed a more beneficial profile for (R)‐2, the activity of which on skeletal muscle function, however, should not be overlooked in the ongoing clinical trials studying its long‐term effects.
Cost effectiveness of proton versus photon radiation therapy with respect to the risk of growth hormone deficiency in children
Authors: Mailhot Vega Raymond , Kim Jane , Hollander Abby , Hattangadi‐Gluth Jona , Michalski Jeff , Tarbell Nancy J. , Yock Torunn I. , Bussiere Marc , MacDonald Shannon M. 
Published: January 2015

BACKGROUNDProton therapy in pediatrics may improve the risk/benefit profile of radiotherapy at a greater upfront financial cost, but it may prove to be cost effective if chronic medical complications can be avoided. Tools to assist with decision making are needed to aid in selecting pediatric patients for protons, and cost‐effectiveness models can provide an objective method for this.METHODSA Markov cohort‐simulation model was developed to assess the expected costs and effectiveness for specific radiation doses to the hypothalamus with protons versus photons in pediatric patients. Costing data included cost of investment and the diagnosis and management of growth hormone deficiency. Longitudinal outcomes data were used to inform risk parameters for the model. With costs in 2012 US dollars and effectiveness measured in quality‐adjusted life years, incremental cost‐effectiveness ratios were used to measure outcomes.RESULTSProton therapy was cost effective for some scenarios based on the difference in hypothalamic sparing. Although some scenarios were not cost effective, others were not only cost effective for proton therapy but also demonstrated that protons were cost saving compared with photons.CONCLUSIONSThe current results provide the first evidence‐based guide for identifying children with brain tumors who may benefit the most from proton therapy with respect to endocrine dysfunction. Proton therapy may be more cost effective for scenarios in which radiation dose to the hypothalamus can be spared, but protons may not be cost effective when tumors are involving or directly adjacent to the hypothalamus if there is a high dose to this structure.Cancer2015;121:1694–1702. ©2015 American Cancer Society.
A phase 1 study of cetuximab and lapatinib in patients with advanced solid tumor malignancies
Authors: Deeken John F. , Wang Hongkun , Subramaniam Deepa , He Aiwu Ruth , Hwang Jimmy , Marshall John L. , Urso Christina E. , Wang Yiru , Ramos Corinne , Steadman Kenneth , Pishvaian Michael J. 
Published: January 2015

BACKGROUNDAcquired resistance to antiepidermal growth factor receptor (anti‐EGFR) therapy may be caused by EGFR–v‐erb‐b2 avian erythroblastic leukemia viral oncogene homolog 2 (ErbB2) heterodimerization and pathway reactivation. In preclinical studies, inhibiting ErbB2 blocked this resistance mechanism and resensitized cells to anti‐EGFR therapy. Cetuximab targets EGFR, whereas lapatinib inhibits both EGFR and ErbB2. The objective of this phase 1 trial was to assess the safety, dose‐limiting toxicities (DLTs), and maximum tolerated doses (MTDs) of cetuximab and lapatinib in patients with solid tumors.METHODSPatients received standard weekly cetuximab with escalating lapatinib doses of 750 mg, 1000 mg, or 1250 mg daily in 3‐week cycles. DLTs were monitored through the end of cycle 2. Pretreatment and post‐treatment tumor biopsies and germline DNA samples were obtained for correlative studies.RESULTSTwenty‐two patients were enrolled, and 18 patients each were evaluable for toxicity and response. Fifty‐nine percent of patients had received prior anti‐EGFR therapy. Common toxicities included rash and diarrhea. No patient experienced a DLT at the highest dose level, and no grade 4 toxicity was observed. Response included no complete responses, 3 partial responses, 9 patients with stable disease, and 6 patients with disease progression, for an overall response rate of 17% and a clinical benefit rate of 67%. The clinical benefit rate in patients who had previously received anti‐EGFR therapy was 70%. The mean treatment duration was 4.7 cycles (range, 1‐14 cycles). Decreased expression of EGFR/ErbB2 pathway components after treatment was correlated with response, whereas increased expression in the PI3K, Jak/Stat, and MAPK pathways occurred in nonresponders.CONCLUSIONSThe combination of cetuximab and lapatinib was well tolerated, had the expected toxicities, and exhibited notable clinical activity, including in patients who had received previous anti‐EGFR therapy. Further clinical study of this combination is warranted. Cancer 2015;121:1645–1653. © 2015 American Cancer Society.
Randomized trial comparing surgery and adjuvant radiotherapy versus concurrent chemoradiotherapy in patients with advanced, nonmetastatic squamous cell carcinoma of the head and neck: 10‐year update and subset analysis
Authors: Iyer N. Gopalakrishna , Tan Daniel S.W. , Tan Veronique KM , Wang Weining , Hwang Jacqueline , Tan Ngian‐Chye , Sivanandan Ranjiv , Tan Hiang‐Khoon , Lim Wan Teck , Ang Mei‐Kim , Wee Joseph , Soo Khee‐Chee , Tan Eng Huat 
Published: January 2015

BACKGROUNDThe current study was performed to report the long‐term results of a trial comparing concurrent chemotherapy and radiotherapy (CCRT) with surgery and adjuvant radiotherapy (RT) in patients with stage III/IV nonmetastatic head and neck squamous cell carcinoma.METHODSPatients with stage III/IV resectable head and neck squamous cell carcinoma were randomized to surgery followed by RT or CCRT. The trial was halted prematurely due to poor accrual. Human papillomavirus status was tested on archival material using polymerase chain reaction sequencing.RESULTSOf the total of 119 patients, 60 patients were randomized to primary surgery (S arm) and 59 patients were randomized to CCRT (C arm). Human papillomavirus status was tested in 75 patients, and only 3 were found to be positive. The median follow‐up for surviving patients was 13 years. Analysis of the entire cohort demonstrated no statistically significant difference in overall survival and disease‐specific survival (DSS): 5‐year rates were 45% versus 35% for overall survival (P = .262) and 56% versus 46% for DSS (P = .637) for the S arm and C arm, respectively. Analysis by subsites indicated that this difference favoring the S arm was mainly driven by survival data among patients with cancers of the oral cavity and maxillary sinus. For patients with oral cavity cancer, survival was significantly better in those who underwent primary surgery compared with CCRT; the 5‐year DSS rate was 68% versus 12% for the S arm and C arm, respectively (P = .038). For patients with cancers of the maxillary sinus, the 5‐year DSS rate was 71% for patients on the S arm and 0% for patients on the C arm (P = .05).CONCLUSIONSThese long‐term results demonstrate a significant advantage for primary surgery in patients with cancers of the oral cavity or maxillary sinus, providing strong support for primary surgery as the main modality of treatment for these subsites. In other subsites, CCRT and surgery with adjuvant RT were found to demonstrate similar efficacy for survival in patients with advanced resectable tumors. Cancer 2015;121:1599–1607. © 2015 American Cancer Society.
Variation in hospital treatment patterns for metastatic colorectal cancer
Authors: Krell Robert W. , Regenbogen Scott E. , Wong Sandra L. 
Published: January 2015

BACKGROUNDThere are many treatment options for metastatic colorectal cancer (CRC). However, to the authors' knowledge, national treatment patterns for metastatic CRC, and the stability of hospital treatment patterns over time, have not been well described.METHODSData from the 2006 through 2011 National Cancer Data Base were used to study adults with newly diagnosed metastatic CRC (84,161 patients from 1051 hospitals). Using hierarchical models, the authors characterized hospital volume in the use of different treatment modalities (primary site resection, metastatic site resection, chemotherapy, and palliative care). The authors then assessed variation in the receipt of treatment according to the hospitals' relative volume of services used. Finally, the extent to which hospital treatment patterns changed over the past decade was examined.RESULTSOverall use of volume of services varied widely (5.0% in the hospitals with low volumes of service to 22.3% in the hospitals with high volumes of service). As hospitals' volumes of services increased, adjusted rates of metastatic site surgery (6.6% to 30.8%; P<.001) and multiagent chemotherapy (37.8% to 57.4%; P<.001) use increased, but primary site resection demonstrated little variation (56.8% vs 59.5%; P = .024). It is interesting to note that use of palliative care also increased (8.1% to 11.3%; P = .002). Hospital treatment patterns did not change over time, with hospitals with high volumes of service consistently using more metastatic site resection and multiagent chemotherapy than hospitals with low volumes of service.CONCLUSIONSThere is wide variation in hospital treatment patterns for patients with metastatic CRC, and these patterns have been stable over time. It appears that much of the approach for metastatic CRC treatment depends on the hospital in which the patient presents. Cancer 2015;121:1755–1761. © 2015 American Cancer Society.
Development and implementation of a coupled computational muscle force optimization bone shape adaptation modeling method
Authors: Florio C. S. 
Published: January 2015

SUMMARYImproved methods to analyze and compare the muscle‐based influences that drive bone strength adaptation can aid in the understanding of the wide array of experimental observations about the effectiveness of various mechanical countermeasures to losses in bone strength that result from age, disuse, and reduced gravity environments. The coupling of gradient‐based and gradientless numerical optimization routines with finite element methods in this work results in a modeling technique that determines the individual magnitudes of the muscle forces acting in a multisegment musculoskeletal system and predicts the improvement in the stress state uniformity and, therefore, strength, of a targeted bone through simulated local cortical material accretion and resorption. With a performance‐based stopping criteria, no experimentally based or system‐based parameters, and designed to include the direct and indirect effects of muscles attached to the targeted bone as well as to its neighbors, shape and strength alterations resulting from a wide range of boundary conditions can be consistently quantified. As demonstrated in a representative parametric study, the developed technique effectively provides a clearer foundation for the study of the relationships between muscle forces and the induced changes in bone strength. Its use can lead to the better control of such adaptive phenomena. Copyright © 2015 John Wiley & Sons, Ltd.
A viscoelastic fluid–structure interaction model for carotid arteries under pulsatile flow
Authors: Wang Zhongjie , Wood Nigel B. , Xu Xiao Yun 
Published: January 2015

SUMMARYIn this study, a fluid–structure interaction model (FSI) incorporating viscoelastic wall behaviour is developed and applied to an idealized model of the carotid artery under pulsatile flow. The shear and bulk moduli of the arterial wall are described by Prony series, where the parameters can be derived from in vivo measurements. The aim is to develop a fully coupled FSI model that can be applied to realistic arterial geometries with normal or pathological viscoelastic wall behaviour. Comparisons between the numerical and analytical solutions for wall displacements demonstrate that the coupled model is capable of predicting the viscoelastic behaviour of carotid arteries. Comparisons are also made between the solid only and FSI viscoelastic models, and the results suggest that the difference in radial displacement between the two models is negligible. Copyright © 2015 John Wiley & Sons, Ltd.
Color combination criteria in Le Corbusier's Purist architecture based on Salubra claviers from 1931
Authors: Serra Juan , Llopis Jorge , Torres Ana , Giménez Manuel 
Published: January 2015

AbstractWe have carried out a new study of the color combinations selected by Le Corbusier in ‘les claviers de couleurs’ for the Salubra wallpaper company in 1931, by analyzing them in the Natural Color System, which allows us to understand the perceptive variables of colors (hue, blackness, and chromaticness) as well as their combination criteria. Regarding the perceptive variables, we have discussed the selected hue ranges in relation to other color proposals of Le Corbusier himself, and we have shown the extensive presence of earthy hues, or the noteworthy absence of other colors such as yellows, violets, black, and white. We have also analyzed the chromaticness of colors, which is generally low, and the blackness, also very limited. In relation to the combination criteria, we aim to find out the underlying order in the color combinations by studying the similarities and contrasts of their perceptive variables. We demonstrate graphically, by a navigable three‐dimensional model, and with statistical support, some principles in Le Corbusier's color preferences, such as the combination of colors with equal chromaticness, the search of some contrast in blackness, or the usual resource of contrasting cool with warm colors, something slightly different to the contrast of complementary colors. We have also discussed other compositional criteria held by Le Corbusier to use color in his Purist architecture, which are related to the position and proportion of the surfaces to be colored, the connotations associated to different hues, or the use of plain colors, among others. © 2015 Wiley Periodicals, Inc. Col Res Appl, 41, 85–100, 2016
J‐Edited Pure Shift NMR for the Facile Measurement of nJHH for Specific Protons
Authors: Chaudhari Sachin Rama , Suryaprakash N. 
Published: January 2015

AbstractWe report a novel 1D J‐edited pure shift NMR experiment (J‐PSHIFT) that was constructed from a pseudo 2D experiment for the direct measurement of proton–proton scalar couplings. The experiment gives homonuclear broad‐band 1H‐decoupled 1H NMR spectra, which provide a single peak for chemically distinct protons, and only retain the homonuclear‐scalar‐coupled doublet pattern at the chemical‐shift positions of the protons in the coupled network of a specific proton. This permits the direct and unambiguous measurement of the magnitudes of the couplings. The incorporation of a 1D selective correlation spectroscopy (COSY)/ total correlation spectroscopy (TOCSY) block in lieu of the initial selective pulse, results in the exclusive detection of the correlated spectrum of a specific proton.
Regioselective Long‐Range Proton Transfer in New Rifamycin Antibiotics: A Process in which Crown Ethers Act as Stronger Brønsted Bases than Amines
Authors: Pyta Krystian , Przybylski Piotr , Bartl Franz 
Published: January 2015

AbstractWater‐mediated proton transfer in six new derivatives of 3‐formylrifamycin SV that contain crown, aza‐crown, and benzo‐crown ether rings were investigated by FTIR and NMR spectroscopy. 1H–1H COSY couplings provide evidence for the formation of zwitterionic structures of the aza‐crown and crown ether derivatives of rifamycin, in which a proton from one of the phenolic groups is transferred to tertiary and secondary nitrogen atoms. The increased intensity of the continuous absorption in the mid‐infrared region together with the NMR data indicate proton transfer from the phenol group of the rifamycin core to the cavity of the benzo‐crown ether ring. This proton transfer is achieved by formation of hydronium (H3O+) or Zundel ions (H5O2+), which form intermolecular hydrogen bonds with the oxygen atoms of the crown ether. DFT calculations are in agreement with the spectroscopic data and allow visualization of the structures of all new rifamycin derivatives, characterized by different intramolecular protonation sites.
From Lignocellulosic Biomass to Lactic‐ and Glycolic‐Acid Oligomers: A Gram‐Scale Microwave‐Assisted Protocol
Authors: Carnaroglio Diego , Tabasso Silvia , Kwasek Beata , Bogdal Dariusz , Gaudino Emanuela Calcio , Cravotto Giancarlo 
Published: January 2015

AbstractThe conversion of lignocellulosic biomass into platform chemicals is the key step in the valorization of agricultural waste. Of the biomass‐derived platform chemicals currently produced, lactic acid plays a particularly pivotal role in modern biorefineries as it is a versatile commodity chemical and building block for the synthesis of biodegradable polymers. Microwave‐assisted processes that furnish lactic acid avoid harsh depolymerization conditions while cutting down reaction time and energy consumption. We herein report a flash catalytic conversion (2 min) of lignocellulosic biomass into lactic and glycolic acids under microwave irradiation. The batch procedure was successfully adapted to a microwave‐assisted flow process (35 mL min−1), with the aim of designing a scalable process with higher productivity. The C2 and C4 units recovered from the depolymerization were directly used as the starting material for a solvent and catalyst‐free microwave‐assisted polycondensation that afforded oligomers in good yields.