bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Three‐Component, One‐Pot Synthesis of Benzo[6,7]cyclohepta[1,2‐b]pyridine Derivatives under Catalyst Free Conditions and Evaluation of Their Antiinflammatory Activity.
Authors: Sajja Yasodakrishna , Vulupala Hanmanth Reddy , Bantu Rajashaker , Nagarapu Lingaiah , Vasamsetti Sathish Babu , Kotamraju Srigiridhar , Nanubolu Jagadeesh Babu 
Published: May 2016

AbstractSix new pyridine derivatives (IIIa,b), (Va,b,c) and (IXb) show better anti‐inflammatory activities at micromolar concentration than the positive control piroxicam.
ChemInform Abstract: Rapid and Mild Synthesis of Quinazolinones and Chromeno[d]pyrimidinones Using Nanocrystalline Copper(I) Iodide under Solvent‐Free Conditions.
Authors: Abdolmohammadi Shahrzad , Karimpour Samira 
Published: May 2016

AbstractThe title compounds are efficiently obtained by one‐pot three‐component reaction of various aryl aldehydes, urea, and active methylene compounds under mild reaction conditions.
ChemInform Abstract: Catalytic Borylative Opening of Propargyl Cyclopropane, Epoxide, Aziridine, and Oxetane Substrates: Ligand Controlled Synthesis of Allenyl Boronates and Alkenyl Diboronates.
Authors: Zhao Jian , Szabo Kalman J. 
Published: May 2016

AbstractThe borylative ring opening reactions proceed with high regio‐ and stereoselectivity providing alkenyl diboronates or allenyl boronate products selectively depending on the choice of the phosphine ligand.
ChemInform Abstract: Silver‐Catalyzed Oxidative Cyclization of Propargylamide‐Substituted Indoles: Synthesis of Phosphorated Indoloazepinones Derivatives.
Authors: Hua Hui‐Liang , Zhang Bo‐Sheng , He Yu‐Tao , Qiu Yi‐Feng , Wu Xin‐Xing , Xu Peng‐Fei , Liang Yong‐Min 
Published: May 2016

AbstractThe simple and efficient protocol tolerates a broad range of substituents on the indole substrates as well as various diarylphosphine oxides, but no ethyl phenylphosphinate.
ChemInform Abstract: Metal‐Free Three‐Component Domino Approach to Phosphonylated Triazolines and Triazoles.
Authors: Ahamad Shakir , Kant Ruchir , Mohanan Kishor 
Published: May 2016

AbstractThe efficient domino reaction between aryl, hetaryl or alkyl aldehydes, including benzodicarbaldehydes, aliphatic amines and the Bestmann‐Ohira reagents provides 1,4,5‐trisubstituted 1,2,3‐triazolines.
ChemInform Abstract: Trichodermates A—F, New Cytotoxic Trichothecenes from the Plant Pathogenic Fungus Trichoderma sp.
Authors: Li Jiaying , Ren Jinwei , Bao Li , Jin Tao , Wang Wenzhao , Pei Yunfei , Liu Xingzhong , Li Erwei 
Published: May 2016

AbstractSix new trichothecene polyunsaturated octadioic acid esters, trichodermates A—F [(I), (II), (III), (IV), (V), and (VI)], are isolated from the fermentation extract of trichoderma sp.
ChemInform Abstract: Muraymycin Nucleoside‐Peptide Antibiotics: Uridine‐Derived Natural Products as Lead Structures for the Development of Novel Antibacterial Agents
Authors: Wiegmann Daniel , Koppermann Stefan , Wirth Marius , Niro Giuliana , Leyerer Kristin , Ducho Christian 
Published: May 2016

AbstractReview: [129 refs.
ChemInform Abstract: Discovery of Non‐Peptide Small Molecular CXCR4 Antagonists as anti‐HIV Agents: Recent Advances and Future Opportunities
Authors: Zhang Heng , Kang Dongwei , Huang Boshi , Liu Na , Zhao Fabao , Zhan Peng , Liu Xinyong 
Published: May 2016

AbstractReview: 69 refs.
Characterization of Metal‐Organic Frameworks Using X‐ray Diffraction
Authors: Herrmann Michael , Kempa Paul Bernd , Fietzek Harald , Altenburg Thomas , Polyzoidis Angelos , Piscopo Calogero Giancarlo , Löbbecke Stefan 
Published: May 2016

AbstractMetal‐organic frameworks (MOFs) are nanoporous materials with a very large inner surface. Selected MOFs with a high potential for industrial application are investigated and characterized using X‐ray diffraction. During this process, impurities and defective batches can be detected at an early stage and the manufacturing processes could be refined or corrected accordingly. In addition, important information on the real structures of the products is obtained. It is thus possible to achieve the target structure and to tailor particle properties to the application profile.
Refinement and revalidation of the demoralization scale: The DS‐II—external validity
Authors: Robinson Sophie , Kissane David W. , Brooker Joanne , Hempton Courtney , Michael Natasha , Fischer Jane , Franco Michael , Sulistio Merlina , Clarke David M. , Ozmen Mehmet , Burney Susan 
Published: May 2016

BACKGROUNDThe recently refined Demoralization Scale‐II (DS‐II) is a 16‐item, self‐report measure of demoralization. Its 2 factors—Meaning and Purpose and Distress and Coping Ability—demonstrate sound internal validity, including item fit, unidimensionality, internal consistency, and test‐retest reliability. The convergent and discriminant validity of the DS‐II with various measures is reported here.METHODSPatients who had cancer or other progressive diseases and were receiving palliative care (n = 211) completed a battery of questionnaires, including the DS‐II and measures of symptom burden, quality of life, depression, and attitudes toward the end of life. Spearman ρ correlations were determined to assess convergent validity. Mann‐Whitney U tests with calculated effect sizes were used to examine discriminant validity and establish the minimal clinically important difference (MCID). Cross‐tabulation frequencies with chi‐square analyses were used to examine discriminant validity with major depression.RESULTSThe DS‐II demonstrated convergent validity with measures of psychological distress, quality of life, and attitudes toward the end of life. It also demonstrated discriminant validity, as the DS‐II differentiated patients who had different functional performance levels and high/low symptoms, with a difference of 2 points between groups on the DS‐II considered clinically meaningful. Furthermore, discriminant validity was demonstrated, as comorbidity with depression was not observed at moderate levels of demoralization.CONCLUSIONSThe DS‐II has sound psychometric properties and is an appropriate measure of demoralization. Given its structural simplicity and brevity, it is likely to be a useful tool in meaning‐centered therapies. Cancer 2016;122:2260–7. © 2016 American Cancer Society.
Demoralization syndrome: New insights in psychosocial cancer care
Authors: Grassi Luigi , Nanni Maria Giulia 
Published: May 2016

Demoralization is confirmed as a significant clinical dimension that needs to be part of the vision physicians should have when treating cancer patients. It is not a psychiatric disease but the expression of an unfolding, situational existence already involved in an irreducibly complex social world, in which cancer and its consequences as traumatic stressors impact the patient's experience and feelings, inducing a profound sense of emotional suffering.See also pages 2251–9, 2260–7.
Diagnostic concordance of non–small cell lung carcinoma subtypes between biopsy and cytology specimens obtained during the same procedure
Authors: Ebrahimi Mojgan , Auger Manon , Jung Sungmi , Fraser Richard S. 
Published: May 2016

BACKGROUNDThe objectives of this study were: 1) to determine the diagnostic concordance of non–small cell lung carcinoma (NSCLC) subtypes in cytology and biopsy specimens taken during the same procedure and evaluate the causes of discordance; and 2) to determine the frequency of immunohistochemistry (IHC) use for subtyping NSCLC.METHODSBiopsy and cytology specimens that were obtained at the same procedure and diagnosed as NSCLC between January 2011 and December 2014 at the McGill University Health Center were identified (n = 226 pairs). The diagnostic concordance between the 2 methods was evaluated. The slides from discordant cases were reviewed, and final diagnoses were made based on IHC, resection specimens, or pathologist discussion.RESULTSConcordance in subtype diagnosis was perfect (adeno‐adeno or squamous‐squamous) in 66.2% of cases and was partial (adeno or squamous vs non–small cell) in 23%; discordance (adeno vs squamous) was observed in 7.8%. Although subtyping was not possible (ie, the final diagnosis was NSCLC, not otherwise specified) in 12.8% of biopsy specimens and 16.3% of cytology specimens, specific subtyping was not achieved in only 3% of cases when both modalities were considered. IHC was used in 47% of biopsy cases and 13% of cytology cases.CONCLUSIONSSubtyping of NSCLC can be achieved in most cases (97%) by considering findings in both biopsy and cytology specimens, and concordance in subtyping between cytology and biopsy specimens can be reached in a high percentage of cases (89.2%). Cancer Cytopathol 2016;124:737–43. © 2016 American Cancer Society.
Design and evaluation of a parallel neighbor algorithm for the disjunctively constrained knapsack problem
Authors: Quan Zhe , Wu Lei 
Published: May 2016

SummaryWe investigate the use of a parallel computing model for solving the disjunctively constrained knapsack problem. This parallel approach is based on a multi‐neighborhood search. In this approach, search threads asynchronously exchange information about the best solutions and use the information to guide the search. The performance of the proposed method was evaluated on the set of the standard benchmark instances. We show encouraging results and compare them to the state‐of‐the‐art solutions. Copyright © 2016 John Wiley & Sons, Ltd.
A new secure authentication scheme for cloud computing environment
Authors: Namasudra Suyel , Roy Pinki 
Published: May 2016

SummaryCloud computing is an emerging computing area that allows on‐demand, scalable, flexible, and low‐cost services to the users. In cloud computing, access control and security are two major problems. In this paper, a novel authentication scheme using Chebyshev chaotic maps has been presented. The proposed model satisfies many security factors, such as scalability of login, mutual authentication, freedom of password change, two‐factor security, and forward security. Two‐factor security is a method that requires two credentials for authentication, where the first factor may be something that users know and the second factor may be something that users have. Forward security assures the confidentiality of the user's session key, even if the private key of the server is compromised. In addition, the proposed scheme provides users with untraceability and anonymity, which means that any kind of adversary neither gets the identities of users or servers nor link several sessions with a user or server. The proposed model is secured under the computational Diffie–Hellman assumption of Chebyshev polynomials in the random oracle model. Moreover, security and performance analysis show that the proposed scheme can resist different security attacks in cloud computing environment and it is better than existing schemes. Copyright © 2016 John Wiley & Sons, Ltd.
Specific Anion Effects on the Kinetics of Iodination of Acetone
Authors: Lo Nostro Pierandrea , Mazzini Virginia , Ninham Barry W. , Ambrosi Moira , Dei Luigi , Baglioni Piero 
Published: May 2016

AbstractSpecific ion effects on the kinetics of iodination of acetone in an acidic medium are investigated by UV/Vis spectrophotometry as a function of nature of the acid and temperature. The results indicate that the order of the reaction with respect to acetone is practically unaffected by the composition of the acid while the value of the mixed constant k1K increases according to the sequence HBr<HCl<HClO4<HF<H2SO4<H3PO4. The results are discussed in terms of the hydration free energy and size of the anion and of the interaction between the cationic intermediate and the anion.
Quantum and Classical Molecular Dynamics of Ionic Liquid Electrolytes for Na/Li‐based Batteries: Molecular Origins of the Conductivity Behavior
Authors: Vicent‐Luna Jose Manuel , Ortiz‐Roldan Jose Manuel , Hamad Said , Tena‐Zaera Ramon , Calero Sofia , Anta Juan Antonio 
Published: May 2016

AbstractCompositional effects on the charge‐transport properties of electrolytes for batteries based on room‐temperature ionic liquids (RTILs) are well‐known. However, further understanding is required about the molecular origins of these effects, in particular regarding the replacement of Li by Na. In this work, we investigate the use of RTILs in batteries, by means of both classical molecular dynamics (MD), which provides information about structure and molecular transport, and ab initio molecular dynamics (AIMD), which provides information about structure. The focus has been placed on the effect of adding either Na+ or Li+ to 1‐methyl‐1‐butyl‐pyrrolidinium [C4PYR]+ bis(trifluoromethanesulfonyl)imide [Tf2N]−. Radial distribution functions show excellent agreement between MD and AIMD, which ensures the validity of the force fields used in the MD. This is corroborated by the MD results for the density, the diffusion coefficients, and the total conductivity of the electrolytes, which reproduce remarkably well the experimental observations for all studied Na/Li concentrations. By extracting partial conductivities, it is demonstrated that the main contribution to the conductivity is that of [C4PYR]+ and [Tf2N]−. However, addition of Na+/Li+, although not significant on its own, produces a dramatic decrease in the partial conductivities of the RTIL ions. The origin of this indirect effect can be traced to the modification of the microscopic structure of the liquid as observed from the radial distribution functions, owing to the formation of [Na(Tf2N)n](n−1)− and [Li(Tf2N)n](n−1)− clusters at high concentrations. This formation hinders the motion of the large ions, hence reducing the total conductivity. We demonstrate that this clustering effect is common to both Li and Na, showing that both ions behave in a similar manner at a microscopic level in spite of their distinct ionic radii. This is an interesting finding for extending Li‐ion and Li‐air technologies to their potentially cheaper Na‐based counterparts.
A Bifunctional Metal–Organic Framework: Striking CO2‐Selective Sorption Features along with Guest‐Induced Tuning of Luminescence
Authors: Mukherjee Soumya , Desai Aamod V. , More Yogeshwar D. , Inamdar Arif I. , Ghosh Sujit K. 
Published: May 2016

AbstractA phenanthroline‐functionalized CdII aminoterephthalate [Cd(NH2‐bdc)(phen)]n (NH2‐bdc=2‐aminobenzenedicarboxylic acid, phen=1,10‐phenanthroline) metal–organic framework (MOF) displays CO2‐selective adsorption properties and photoluminescence induced by phenolic guests. The inherently guest‐free, rigid amine‐rich framework exhibits substantial CO2‐selective adsorption at ambient temperatures (both at 273 and 298 K) over other flue gases like N2, CH4, O2, Ar and H2, with a high isosteric heat of adsorption at zero coverage (ΔHads≈34 KJmol−1). Moreover, the fluorescent phenanthroline guest introduced to the MOF results in an excellent photoluminescence signature, which can serve as a marker for tuning phenolic‐guest‐induced luminescence. This marks the first report of observing distinct fluorescence responses to differentially functionalized phenolic analytes, in the domain of coordination polymer materials.
A Method for Sectioning and Immunohistochemical Analysis of Stem Cell–Derived 3‐D Organoids
Authors: Wiley Luke A. , Beebe David C. , Mullins Robert F. , Stone Edwin M. , Tucker Budd A. 
Published: May 2016

AbstractThis unit describes a protocol for embedding, sectioning, and immunocytochemical analysis of pluripotent stem cell–derived 3‐D organoids. Specifically, we describe a method to embed iPSC‐derived retinal cups in low‐melt agarose, acquire thick sections using a vibratome tissue slicer, and perform immunohistochemical analysis. This method includes an approach for antibody labeling that minimizes the amount of antibody needed for individual experiments and that utilizes large‐volume washing to increase the signal‐to‐noise ratio, allowing for clean, high‐resolution imaging of developing cell types. The universal methods described can be employed regardless of the type of pluripotent stem cell used and 3‐D organoid generated. © 2016 by John Wiley & Sons, Inc.
Experimental evolution of the grain of metabolic specialization in yeast
Authors: Samani Pedram , Bell Graham 
Published: May 2016

AbstractAdaptation to any given environment may be accompanied by a cost in terms of reduced growth in the ancestral or some alternative environment. Ecologists explain the cost of adaptation through the concept of a trade‐off, by which gaining a new trait involves losing another trait. Two mechanisms have been invoked to explain the evolution of trade‐offs in ecological systems, mutational degradation, and functional interference. Mutational degradation occurs when a gene coding a specific trait is not under selection in the resident environment; therefore, it may be degraded through the accumulation of mutations that are neutral in the resident environment but deleterious in an alternative environment. Functional interference evolves if the gene or a set of genes have antagonistic effects in two or more ecologically different traits. Both mechanisms pertain to a situation where the selection and the alternative environments are ecologically different. To test this hypothesis, we conducted an experiment in which 12 experimental populations of wild yeast were each grown in a minimal medium supplemented with a single substrate. We chose 12 different carbon substrates that were metabolized through similar and different pathways in order to represent a wide range of ecological conditions. We found no evidence for trade‐offs between substrates on the same pathway. The indirect response of substrates on other pathways, however, was consistently negative, with little correlation between the direct and indirect responses. We conclude that the grain of specialization in this case is the metabolic pathway and that specialization appears to evolve through mutational degradation.
A Calibration Method for Blink Type Classification
Authors: SATO HIRONOBU , ABE KIYOHIKO , OHI SHOICHI , OHYAMA MINORU 
Published: May 2016

SUMMARYHuman–computer interaction systems that use eye blinks have been reported. One purpose of these systems is as a communication aid for persons with severe physical disabilities such as amyotrophic lateral sclerosis (ALS). Some of these systems classify the user's voluntary (conscious) blinks. If the voluntary blinks can be distinguished automatically, the usability of the input interface will be improved. We have proposed an eye blink extraction method that utilizes split interlaced images of the eye. These split images are odd‐ and even‐field images and are generated from interlaced images. The proposed method yields a time resolution that is double that of the 1080i Hi‐Vision format. We refer to this approach as a “frame splitting method”. We realized a method for automatic eye blink extraction using the frame splitting method. Based on this extraction method, we also proposed a blink type classification method in which a threshold is set within the duration of an eye blink. Our classification method requires a calibration process before measurement. In this paper, we clarify the required minimum number of eye blinks for calibration. We also discuss the performance of blink type classification using this calibration.
Electrochemical Assessment of Sequence Selective DNA Damage from Myoglogin and Cytochrome P450 Bioactivated Benzo[a]pyrene at TP53 Oligomers
Authors: Trumbo‐White Caitlin M. , Hvastkovs Eli G. 
Published: May 2016

AbstractEnzymatic bioactivation of an otherwise non‐reactive species into a reactive one can lead to significant health problems in vivo. Bioactivation of benzo[a]pyrene (BP) produces known cancer causing agents, most notably anti‐benzo[a]pyrene‐r‐7,t‐8‐dihydrodiol‐t‐9,10‐epoxide (anti‐BPDE) that has been shown to attack DNA at specific genomic sites termed hotspots. Bioactivation of BP resulting in DNA damage at a specific hotspot codon was determined electrochemically. Gold electrodes were modified with DNA 21‐mer oligomers spanning codons 270–276 of the TP53 gene as well as myoglobin (Mb) that acted as an in vivo bioactivation enzyme mimic. The electrodes were exposed to BP and low concentrations of hydrogen peroxide to activate the enzymes to produce reactive metabolites that could in turn damage the DNA. DNA damage was assayed electrochemically using square wave voltammetry (SWV) to probe a diviologen compound of the form C12H25V2+C6H12V2+C12H25 (V2+=4,4′‐bipyridyl or viologen, C12‐Viologen) that has previously been employed to study DNA damage. DNA damage was dependent on both BP concentration and on the presence of the hotspot 273‐codon guanine. Additionally, cytochrome P450 1A1 and 1A2 isoforms in bicistronic membrane fractions were utilized, and DNA damage from BP exposure followed predicted patterns based on the isoform employed.
Physical Activity Benefits the Skeleton of Children Genetically Predisposed to Lower Bone Density in Adulthood
Authors: Mitchell Jonathan A , Chesi Alessandra , Elci Okan , McCormack Shana E , Roy Sani M , Kalkwarf Heidi J , Lappe Joan M , Gilsanz Vicente , Oberfield Sharon E , Shepherd John A , Kelly Andrea , Grant Struan FA , Zemel Babette S 
Published: May 2016

ABSTRACT

Both genetics and physical activity (PA) contribute to bone mineral density (BMD), but it is unknown if the benefits of physical activity on childhood bone accretion depend on genetic risk. We, therefore, aimed to determine if PA influenced the effect of bone fragility genetic variants on BMD in childhood. Our sample comprised US children of European ancestry enrolled in the Bone Mineral Density in Childhood Study (N = 918, aged 5 to 19 years, and 52.4% female). We used a questionnaire to estimate hours per day spent in total, high-, and low-impact PA. We calculated a BMD genetic score (% BMD lowering alleles) using adult genome-wide association study (GWAS)-implicated BMD variants. We used dual-energy X-ray absorptiometry to estimate femoral neck, total hip, and spine areal-BMD and total body less head (TBLH) bone mineral content (BMC) Z-scores. The BMD genetic score was negatively associated with each bone Z-score (eg, TBLH-BMC: estimate = –0.03, p = 1.3 × 10−6). Total PA was positively associated with bone Z-scores; these associations were driven by time spent in high-impact PA (eg, TBLH-BMC: estimate = 0.05, p = 4.0 × 10−10) and were observed even for children with lower than average bone Z-scores. We found no evidence of PA-adult genetic score interactions (p interaction &gt; 0.05) at any skeletal site, and there was no evidence of PA-genetic score–Tanner stage interactions at any skeletal site (p interaction &gt; 0.05). However, exploratory analyses at the individual variant level revealed that PA statistically interacted with rs2887571 (ERC1/WNT5B) to influence TBLH-BMC in males (p interaction = 7.1 × 10−5), where PA was associated with higher TBLH-BMC Z-score among the BMD-lowering allele carriers (rs2887571 AA homozygotes: estimate = 0.08 [95% CI 0.06, 0.11], p = 2.7 × 10−9). In conclusion, the beneficial effect of PA on bone, especially high-impact PA, applies to the average child and those genetically predisposed to lower adult BMD (based on GWAS-implicated BMD variants). Independent replication of our exploratory individual variant findings is warranted. © 2016 American Society for Bone and Mineral Research.