bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Beyond C—H and C—O Activation: The Evolution of Components in Cross‐Coupling Reactions
Authors: Chen Kang , Zhang Xi‐Sha , Shi Zhang‐Jie
Published: June 2015

Review: 103 refs.
ChemInform Abstract: Derivatives of Hydroxybenzoic Acids and Their Salts: Synthesis and Pharmacological Activity
Authors: Brel A. K. , Lisina S. V. , Budaeva Yu. N.
Published: June 2015

Review: 25 refs.
ChemInform Abstract: From Hydroxycetylammonium Salts to Their Chiral Counterparts. A Library of Efficient Stabilizers of Rh(0) Nanoparticles for Catalytic Hydrogenation in Water
Authors: Denicourt‐Nowicki Audrey , Roucoux Alain
Published: June 2015

Review: 47 refs.
ChemInform Abstract: The Effect of Acceptor‐Substituted Alkynes in Gold‐Catalyzed Intermolecular Reactions
Authors: Shin Seunghoon
Published: June 2015

Review: 39 refs.
ChemInform Abstract: Novel Structures and Physics of Nanomagnets (Invited)
Authors: Sellmyer D. J. , Balamurugan B. , Das B. , Mukherjee P. , Skomski R. , Hadjipanayis G. C.
Published: June 2015

Review: 50 refs.
ChemInform Abstract: Critical Review of the Global Chemical Kinetics of Cellulose Thermal Decomposition
Authors: Burnham Alan K. , Zhou Xiaowei , Broadbelt Linda J.
Published: June 2015

Review: 86 refs.
ChemInform Abstract: Hydrophobic Ambivalence: Teetering on the Edge of Randomness
Authors: Ben‐Amotz Dor
Published: June 2015

Review: 65 refs.
ChemInform Abstract: Strong Field Laser Control of Photochemistry
Authors: Sola Ignacio R. , Gonzalez‐Vazquez Jesus , de Nalda Rebeca , Banares Luis
Published: June 2015

Review: 141 refs.
ChemInform Abstract: Beta‐lactoglobulin‐Based Encapsulating Systems as Emerging Bioavailability Enhancers for Nutraceuticals: A Review
Authors: Teng Zi , Xu Ruoyang , Wang Qin
Published: June 2015

Review: 113 refs.
ChemInform Abstract: Secondary Metabolites of Plants from the Genus Chloranthus: Chemistry and Biological Activities
Authors: Wang An‐Ran , Song Hong‐Chuan , An Hong‐Mei , Huang Qian , Luo Xie , Dong Jin‐Yan
Published: June 2015

Review: 48 refs.
ChemInform Abstract: A Revolution in Electrodes: Recent Progress in Rechargeable Lithium‐Sulfur Batteries
Authors: Fang Xin , Peng Huisheng
Published: June 2015

Review: 176 refs.
ChemInform Abstract: Targeting G‐Quadruplex Structures with Extrinsic Fluorogenic Dyes: Promising Fluorescence Sensors
Authors: Bhasikuttan Achikanath C. , Mohanty Jyotirmayee
Published: June 2015

Review: 84 refs.
ChemInform Abstract: Functional Membranes via Nanoparticle Self‐Assembly
Authors: Green Erica , Fullwood Emily , Selden Julieann , Zharov Ilya
Published: June 2015

Review: [98 refs.
ChemInform Abstract: Supramolecular Electron Transfer‐Based Switching Involving Pyrrolic Macrocycles. A New Approach to Sensor Development?
Authors: Bill Nathan L. , Trukhina Olga , Sessler Jonathan L. , Torres Tomas
Published: June 2015

Review: [59 refs.
ChemInform Abstract: Contribution of Deep Eutectic Solvents for Biomass Processing: Opportunities, Challenges, and Limitations
Authors: De Oliveira Vigier Karine , Chatel Gregory , Jerome Francois
Published: June 2015

Review: [38 refs.
ChemInform Abstract: Marine Protein Hydrolysates: Their Present and Future Perspectives in Food Chemistry — A Review
Authors: Vijaykrishnaraj M. , Prabhasankar P.
Published: June 2015

Review: 114 refs.
ChemInform Abstract: Mechanistic Insights into the Luminescent Sensing of Organophosphorus Chemical Warfare Agents and Simulants Using Trivalent Lanthanide Complexes
Authors: Dennison Genevieve H. , Johnston Martin R.
Published: June 2015

Review: [32 refs.
ChemInform Abstract: Predicting Accurate Absolute Binding Energies in Aqueous Solution: Thermodynamic Considerations for Electronic Structure Methods
Authors: Jensen Jan H.
Published: June 2015

Review: 49 refs.
ChemInform Abstract: Using Biotic Ligand Models to Predict Metal Toxicity in Mineralized Systems
Authors: Smith Kathleen S. , Balistrieri Laurie S. , Todd Andrew S.
Published: June 2015

Review: 135 refs.
ChemInform Abstract: A Brief Review of Badger‐Bauer Rule and Its Validation from a First‐Principles Approach
Authors: Bhatta Ram S. , Iyer Prasad P. , Dhinojwala Ali , Tsige Mesfin
Published: June 2015

Review: 55 refs.
Structural Features and Asymmetric Environment of i‐Pr‐SPRIX Ligand
Authors: Takenaka Kazuhiro , Lin Xianjin , Takizawa Shinobu , Sasai Hiroaki
Published: June 2015

Novel chiral diisopropyl spiro bis(isoxazoline) ligands, anti‐i‐Pr‐SPRIX and syn‐i‐Pr‐SPRIX, were designed and synthesized. Their catalytic utility, X‐ray crystallographic analyses, and complexation studies demonstrated the structural features of tetraisopropyl spiro bis(isoxazoline) ligand, i‐Pr‐SPRIX, which is a prominent ligand in various enantioselective Pd catalytic processes: All i‐Pr groups work in collaboration to create an effective asymmetric environment. Chirality 27:532–537, 2015. © 2015 Wiley Periodicals, Inc.
Isothermal Titration Calorimetry of Chiral Polymeric Nanoparticles
Authors: Werber Liora , Preiss Laura C. , Landfester Katharina , Muñoz‐Espí Rafael , Mastai Yitzhak
Published: June 2015

Chiral polymeric nanoparticles are of prime importance, mainly due to their enantioselective potential, for many applications such as catalysis and chiral separation in chromatography. In this article we report on the preparation of chiral polymeric nanoparticles by miniemulsion polymerization. In addition, we describe the use of isothermal titration calorimetry (ITC) to measure the chiral interactions and the energetics of the adsorption of enantiomers from aqueous solutions onto chiral polymeric nanoparticles. The characterization of chirality in nano‐systems is a very challenging task; here, we demonstrate that ITC can be used to accurately determine the thermodynamic parameters associated with the chiral interactions of nanoparticles. The use of ITC to measure the energetics of chiral interactions and recognition at the surfaces of chiral nanoparticles can be applied to other nanoscale chiral systems and can provide further insight into the chiral discrimination processes of nanomaterials. Chirality 27:613–618, 2015. © 2015 Wiley Periodicals, Inc.
Characteristics of primary splenic diffuse large B‐cell lymphoma and role of splenectomy in improving survival
Authors: Bairey Osnat , Shvidel Lev , Perry Chava , Dann Eldad J. , Ruchlemer Rosa , Tadmor Tamar , Goldschmidt Neta
Published: June 2015

BACKGROUND

Primary splenic diffuse large B‐cell lymphoma (PS‐DLBCL), an uncommon type of non‐Hodgkin lymphoma, has been investigated only in small patient series before the rituximab era. The therapeutic role of splenectomy in addition to immunochemotherapy is unknown.

METHODS

The databases of 7 medical centers in Israel were searched for patients diagnosed with PS‐DLBCL in 1982‐2013, and clinical, treatment, and outcome data were collected for 87 patients. The mean patient age was 59.6 years; 57.5% were male.

RESULTS

Patients presented with abdominal pain (81%), B symptoms (59%), splenomegaly (84%), splenic masses (97%), and high lactate dehydrogenase (LDH) levels (84%); 61% had stage I or II disease. The diagnosis was made with core‐needle biopsy in 46 patients and with diagnostic splenectomy in 39 patients. Eighty patients (92%) were treated with cyclophosphamide, doxorubicin, vincristine, and prednisone; 68 (78%) received rituximab. A complete response was achieved in 67 patients (77%), and a partial response was achieved in 8 (9%). At 5 years, the overall survival (OS) rate was 77%, and the progression‐free survival (PFS) rate was 67%. When patients were stratified by splenectomy at diagnosis, the OS rates were 91% for splenectomized patients and 68% for nonsplenectomized patients (P = .08), and the PFS rates were 85% and 55%, respectively (P = .02). The respective values for the subgroup with early‐stage disease were 96% and 63% for OS (P = .009) and 90% and 51% for PFS (P = .01). In a multivariate analysis, a low Eastern Cooperative Oncology Group performance status and splenectomy independently predicted better PFS (P < .03).

CONCLUSIONS

Patients with PS‐DLBCL usually present with abdominal pain, high LDH levels, and a splenic mass. This study shows for the first time that splenectomy at diagnosis improves survival, specifically in patients with early‐stage disease. Cancer 2015;121:2909–2916. © 2015 American Cancer Society.
Capecitabine combined with docetaxel versus vinorelbine followed by capecitabine maintenance medication for first‐line treatment of patients with advanced breast cancer: Phase 3 randomized trial
Authors: Wang Jiayu , Xu Binghe , Yuan Peng , Ma Fei , Li Qing , Zhang Pin , Cai Ruigang , Fan Ying , Luo Yang , Li Qiao
Published: June 2015

BACKGROUND

In this prospective study, progression‐free survival (PFS) and the safety profiles of docetaxel/capecitabine (TX) and vinorelbine/capecitabine (NX) followed by capecitabine maintenance therapy were compared in patients with metastatic breast cancer.

METHODS

Patients with advanced metastatic breast cancer were randomly assigned to a TX group (n = 104) and an NX group (n = 102), both of which included capecitabine maintenance medication. The primary endpoint was progression‐free survival (PFS).

RESULTS

The trial met its primary endpoint and was closed to accrual subsequent to interim analysis. Forty‐eight patients in the TX group (46.2%) and 42 patients in the NX group (41.2%) received maintenance medication. The median PFS (8.4 vs 7.1 months; P = .0026; 95% confidence interval, 1.18‐2.3; hazard ratio, 1.65), the response duration (7.8 vs 6.6 months; P = .0451), and the median overall survival (OS) (35.3 vs 19.8 months; P = .1349; 95% confidence interval, 0.88‐2.47; hazard ratio, 1.48) in the TX group appeared to be longer compared with those in the NX group, although the difference did reach not statistical significance. Patients aged ≥40 years who were postmenopausal and presented with visceral metastases were more likely to benefit from the TX regimen in terms of PFS and OS, whereas positive hormone receptor and human epidermal growth factor receptor 2 status or a history of taxane treatments did not affect differences in PFS and OS between the TX and NX groups. Hand‐foot syndrome occurred more frequently in the TX group than in the NX group (47% vs 16.7%; P < .0001), but the frequencies of other minor adverse effects were similar in both groups.

CONCLUSIONS

A TX regimen for advanced breast cancer followed by capecitabine maintenance medication led to longer PFS and response duration than an NX regimen, even for patients who had previously received taxane in (neo)adjuvant settings. Cancer 2015. © 2015 American Cancer Society. Cancer 2015;121:3435–43. © 2015 American Cancer Society.
Radiofrequency ablation in high‐risk stage I non–small cell lung cancer
Authors: Donington Jessica S.
Published: June 2015

Dupuy et al demonstrate excellent safety, tolerability, and preservation of pulmonary function in this multi‐institutional, prospective evaluation of radiofrequency ablation for medically unresectable non–small cell lung cancer. Unfortunately, the rate of local recurrence is 40% at 2 years, and this decreases some enthusiasm for its use in patients who have a radiation or surgical option.
Radiofrequency ablation of stage IA non–small cell lung cancer in medically inoperable patients: Results from the American College of Surgeons Oncology Group Z4033 (Alliance) trial
Authors: Dupuy Damian E. , Fernando Hiran C. , Hillman Shauna , Ng Thomas , Tan Angelina D. , Sharma Amita , Rilling William S. , Hong Kelvin , Putnam Joe B.
Published: June 2015

BACKGROUND

This study evaluated the 2‐year overall survival rate, adverse event rate, local control rate, and impact on pulmonary function tests for medically inoperable patients with stage IA non–small cell lung cancer (NSCLC) undergoing computed tomography (CT)–guided radiofrequency ablation (RFA) in a prospective, multicenter trial.

METHODS

Fifty‐four patients (25 men and 29 women) with a median age of 76 years (range, 60‐89 years) were enrolled from 16 US centers; 51 patients were eligible for evaluation (they had biopsy‐proven stage IA NSCLC and were deemed medically inoperable by a board‐certified thoracic surgeon). Pulmonary function tests were performed within the 60 days before RFA and 3 and 24 months after RFA. Adverse events were recorded and categorized. Patients were followed with CT and fludeoxyglucose positron emission tomography. Local control rate and recurrence patterns were analyzed.

RESULTS

The overall survival rate was 86.3% at 1 year and 69.8% at 2 years. The local tumor recurrence–free rate was 68.9% at 1 year and 59.8% at 2 years and was worse for tumors > 2 cm. In the 19 patients with local recurrence, 11 were re‐treated with RFA, 9 underwent radiation, and 3 underwent chemotherapy. There were 21 grade 3 adverse events, 2 grade 4 adverse events, and 1 grade 5 adverse event in 12 patients within the first 90 days after RFA. None of the grade 4 or 5 adverse events were attributable to RFA. There was no significant change in the forced expiratory volume in the first second of expiration or the diffusing capacity of lung for carbon monoxide after RFA. A tumor size less than 2.0 cm and a performance status of 0 or 1 were associated with statistically significant improved survival of 83% and 78%, respectively, at 2 years.

CONCLUSIONS

RFA is a single, minimally invasive procedure that is well tolerated in medically inoperable patients, does not adversely affect pulmonary function tests, and provides a 2‐year overall survival rate that is comparable to the rate reported after stereotactic body radiotherapy in similar patients. Cancer 2015;121:3435–43. © 2015 American Cancer Society.
Patient perceptions regarding the likelihood of cure after surgical resection of lung and colorectal cancer
Authors: Kim Yuhree , Winner Megan , Page Andrew , Tisnado Diana M. , Martinez Kathryn A. , Buettner Stefan , Ejaz Aslam , Spolverato Gaya , Morss Dy Sydney E. , Pawlik Timothy M.
Published: June 2015

BACKGROUND

The objective of the current study was to characterize the prevalence of the expectation that surgical resection of lung or colorectal cancer might be curative. The authors sought to assess patient‐level, tumor‐level, and communication‐level factors associated with the perception of cure.

METHODS

Between 2003 and 2005, a total of 3954 patients who underwent cancer‐directed surgery for lung (30.3%) or colorectal (69.7%) cancer were identified from a population‐based and health system‐based survey of participants from multiple US regions.

RESULTS

Approximately 80.0% of patients with lung cancer and 89.7% of those with colorectal cancer responded that surgery would cure their cancer. Even 57.4% and 79.8% of patients with stage IV lung and colorectal cancer, respectively, believed surgery was likely to be curative. On multivariable analyses, the odds ratio (OR) of the perception of curative intent was found to be higher among patients with colorectal versus lung cancer (OR, 2.27). Patients who were female, with an advanced tumor stage, unmarried, and having a higher number of comorbidities were less likely to believe that surgery would cure their cancer; educational level, physical function, and insurance status were not found to be associated with perception of cure. Patients who reported optimal physician communication scores (reference score, 0‐80; score of 80‐100 [OR, 1.40] and score of 100 [OR, 1.89]) and a shared role in decision‐making with their physician (OR, 1.16) or family (OR, 1.17) had a higher odds of perceiving surgery would be curative, whereas patients who reported physician‐controlled (OR, 0.56) or family‐controlled (OR, 0.72) decision‐making were less likely to believe surgery would provide a cure.

CONCLUSIONS

Greater focus on patient‐physician engagement, communication, and barriers to discussing goals of care with patients who are diagnosed with cancer is needed. Cancer 2015;121:3564–3573. © 2015 American Cancer Society.
Circulating human papillomavirus DNA as a marker for disease extent and recurrence among patients with oropharyngeal cancer
Authors: Dahlstrom Kristina R. , Li Guojun , Hussey Caroline S. , Vo Jenny T. , Wei Qingyi , Zhao Chong , Sturgis Erich M.
Published: June 2015

BACKGROUND

Circulating Epstein‐Barr virus DNA is a predictor of disease recurrence in patients with nasopharyngeal carcinoma. Circulating human papillomavirus (HPV) DNA has been detected in the sera of some patients with HPV‐positive squamous cell carcinoma of the oropharynx (OPC). The goal of the current study was to determine whether pretreatment serum HPV DNA is a useful biomarker for disease recurrence in patients with HPV‐positive OPC.

METHODS

The study included patients with newly diagnosed, previously untreated OPC. Tumor HPV status was determined by polymerase chain reaction; serum HPV DNA was detected using real‐time polymerase chain reaction. Differences in clinical characteristics between patients who were positive and negative for pretreatment serum HPV DNA were described using standard descriptive statistical methods. Kaplan‐Meier curves were generated and log‐rank tests were used to detect statistically significant differences in progression‐free survival (PFS).

RESULTS

A total of 262 patients were included. Patients with high N category and those with TNM stage IV disease were found to have higher rates of detectable pretreatment serum HPV DNA. Patients with HPV‐positive tumors had better PFS than patients with HPV‐negative tumors. Among patients with HPV‐positive tumors, those who were negative for pretreatment serum HPV DNA had better PFS than those who were positive for pretreatment serum HPV DNA, but this result was not statistically significant.

CONCLUSIONS

Pretreatment serum HPV DNA was associated with higher N category and overall disease stage. However, pretreatment serum HPV DNA does not appear to have clinical usefulness as a marker for disease recurrence among patients with OPC. Cancer 2015;121:3435–43. © 2015 American Cancer Society.
Pharmacokinetics of aclidinium bromide/formoterol fumarate fixed‐dose combination compared with individual components: A phase 1, open‐label, single‐dose study
Authors: Fuhr Rainard , Leselbaum Anne , Aubets Jordi
Published: June 2015

Inhaled, long‐acting bronchodilators represent a cornerstone of maintenance treatment for chronic obstructive pulmonary disease (COPD). Aclidinium bromide/formoterol fumarate 400/12 μg fixed‐dose combination (FDC) has recently been licensed for use in adults with COPD in the European Union. This phase 1, randomized, open‐label, 3‐way, complete crossover, single‐dose study assessed the pharmacokinetics, safety, and tolerability of an FDC, aclidinium bromide 400 μg, and formoterol fumarate 12 μg, all administered via Genuair™ to 30 healthy subjects. The rate and extent of absorption were comparable for aclidinium/formoterol FDC and individual monotherapies; aclidinium/formoterol FDC and aclidinium alone: Cmax, 270 and 215 pg/mL, respectively; AUC0–t, 229 and 222 pg · h/mL, respectively; aclidinium/formoterol FDC and formoterol alone: Cmax, 11 and 9.3 pg/mL, respectively; AUC, 36 and 32.4 pg · h/mL, respectively. There were no major differences in relative bioavailability between the combination and monotherapies: the aclidinium Cmax and AUC0–t were 26% and 3% higher, respectively, with aclidinium/formoterol FDC compared with aclidinium alone, and 18% and 11% higher, respectively, compared with formoterol alone. Aclidinium/formoterol FDC was well tolerated; the incidence of adverse events was low and similar to the monotherapies. Aclidinium/formoterol FDC was not associated with any major differences in rate and extent of absorption or relative bioavailability compared with monotherapies.
A single‐ and multiple‐dose study to investigate the pharmacokinetics of epelsiban and its metabolite, GSK2395448, in healthy female volunteers
Authors: Mahar Kelly M. , Stier Brendt , Fries Michael , McCallum Stewart W.
Published: June 2015

An open‐label single‐ and repeat‐dose study was conducted to investigate the pharmacokinetics, safety, and tolerability of ascending doses of epelsiban in healthy female volunteers (n = 48). The pharmacokinetics of the epelsiban metabolite, GSK2395448, were also assessed. Epelsiban was readily absorbed and parent and metabolite readily appeared in plasma. The parent drug's median tmax was approximately 0.5 hours, and the metabolite's median tmax ranged from 0.5 to 1.0 hours post–parent dosing. Both epelsiban and GSK2395448 had rapid elimination half‐lives, ranging between 2.66 and 4.85 hours. The metabolite:parent ratios for exposure (AUC and Cmax) ranged from approximately 70% to greater than 100%, and therefore, GSK2395448 is considered a major metabolite of epelsiban. Mean epelsiban and GSK2395448 AUC values increased in a dose‐proportional manner following both single‐dose administration from 10 to 200 mg and repeat administration from 10 to 150 mg following twice daily or 4‐times‐daily dosing. Single‐dose epelsiban pharmacokinetics in women was similar to single‐dose pharmacokinetics previously observed in men. Epelsiban was generally well tolerated, and no events of clinical concern were observed in volunteers dosed in this study. The safety findings were consistent with the previous study in men, with headache the most commonly reported adverse effect.
Attribution of Guilt to Offspring of Perpetrators of the Genocide: Rwandan People's Perspectives
Authors: Mukashema Immaculée , Mullet Etienne
Published: June 2015

This study, conducted in Rwanda, examined the attribution of guilt to offspring of people who were directly involved in mass atrocities: To what extent can the son or grandson of a small farmer who participated in the genocide be considered as guilty of his father's or grandfather's deeds? Two qualitatively different views were found. The majority view was that offspring were totally free of guilt. The minority view was that perpetrators’ offspring inherited at least part of their genitors’ guilt, especially that of their fathers.
Distinguishing 2N gamete nuclei from doublets in pollen using flow cytometry and pulse analysis
Authors: Kron Paul , Husband Brian C.
Published: June 2015

The value of flow cytometry for quantifying unreduced (2N) pollen production in plants is well recognized; however, the approach has been limited by technical obstacles to obtaining high quality nuclei fluorescence histograms and the difficulty in distinguishing 2N nuclei from 1N doublets. Here, we use mathematical arguments and observations of fluorescence properties of angiosperm pollen nuclei to generate guidelines for applying pulse analysis to correct for doublets in pollen nuclei data. We show that the theoretical requirements for applying pulse analysis for doublet correction are met when nucleus fluorescence height and/or width measures in the unreduced gamete (2C DNA content) region exhibit bimodality (reflecting singlets and doublets) in combination with unimodal distributions of the same parameters in the reduced gamete (1C) region. These conditions are regularly met in the family Brassicaceae but not in the Asteraceae and Poaceae. We further show that when these requirements are met, pulse analysis estimates of doublet proportions are well correlated with estimates obtained with microscopy. We propose guidelines for doublet correction when estimating frequencies of unreduced male gametes. © 2015 International Society for Advancement of Cytometry
An incremental intrusion detection system using a new semi‐supervised stream classification method
Authors: Noorbehbahani Fakhroddin , Fanian Ali , Mousavi Rasoul , Hasannejad Homa
Published: June 2015

In recent years, the utilization of machine learning and data mining techniques for intrusion detection has received great attention by both security research communities and intrusion detection system (IDS) developers. In intrusion detection, the most important constraints are the imbalanced class distribution, the scarcity of the labeled data, and the massive amounts of network flows. Moreover, because of the dynamic nature of the network flows, applying static learned models degrades the detection performance significantly over time. In this article, we propose a new semi‐supervised stream classification method for intrusion detection, which is capable of incremental updating using limited labeled data. The proposed method, called the incremental semi‐supervised flow network‐based IDS (ISF‐NIDS), relies on an incremental mixed‐data clustering, a new supervised cluster adjustment method, and an instance‐based learning. The ISF‐NIDS operates in real time and learns new intrusions quickly using limited storage and processing power. The experimental results on the KDD99, Moore, and Sperotto benchmark datasets indicate the superiority of the proposed method compared with the existing state‐of‐the‐art incremental IDSs.
SGDD: self‐managed grid‐based data dissemination protocol for mobile sink in wireless sensor network
Authors: Majma Mohammad Reza , Almassi Sanaz , Shokrzadeh Hamid
Published: June 2015

The reduction of energy consumption in order to increase network lifetime is one of the most major challenges in the design of wireless sensor networks. During data dissemination, the sensors that are located in the sink's neighborhood are responsible to relay data to the other nodes; hence, their energy is exhausted expeditiously. Therefore, the idea of utilizing mobile sinks can be so advantageous to decrease energy consumption during data dissemination process. In this paper, we propose self‐managed grid‐based data disseminating protocol for mobile sink in wireless sensor networks by using the idea of constructing a virtual grid. In self‐managed grid‐based data disseminating protocol, sink and nodes map their geographical position to a virtual location. In order to increase the performance, we have employed a cell head for each grid cell. Cell heads are selected based on two parameters, centralization and residual energy. Our data dissemination protocol is simple and has low overhead to construct and maintain. Also, we have presented a new method for sink location update, which leads to the least cost in data transfer. Simulation results illustrate that by utilizing hierarchical functionality and determining an optimal size for grid cells, energy consumption is decreased, which leads to increasing network lifetime. Copyright © 2015 John Wiley & Sons, Ltd.
Criterions of designing codebooks and a relay selection scheme for a relay network
Authors: Wang Haiquan , Zhao Baofeng , Hong Lei
Published: June 2015

For a relay network system with amplify and forward protocol, in this paper, analysis of performance is conducted, and an upper bound of pairwise error probability is obtained. Moreover, a scheme of relay selection is analyzed under assumptions that (i) the relays amplify and forward received signals without any signal processing; (ii) the receiver only knows channel state information from the relays to the receiver; and (iii) the transmitter and the relays do not have any channel state information. Based on the upper bound, a criterion of designing codebook is proposed. Surprisingly, this bound shows that increasing the number of relays can hardly improve performance. Furthermore, the error probability is decreasing with a speed of P−1, no matter how large the relay number is, where P is the total energy. Also, for the relay selection, the optimal selecting way is to select only one relay with the largest channel gain, which is very different from existing schemes. These results are all confirmed by simulations. Copyright © 2015 John Wiley & Sons, Ltd.
ZFIN, The zebrafish model organism database: Updates and new directions
Authors: Ruzicka Leyla , Bradford Yvonne M. , Frazer Ken , Howe Douglas G. , Paddock Holly , Ramachandran Sridhar , Singer Amy , Toro Sabrina , Van Slyke Ceri E. , Eagle Anne E. , Fashena David , Kalita Patrick , Knight Jonathan , Mani Prita , Martin Ryan , Moxon Sierra A.T. , Pich Christian , Schaper Kevin , Shao Xiang , Westerfield Monte
Published: June 2015

The Zebrafish Model Organism Database (ZFIN; http://zfin.org) is the central resource for genetic and genomic data from zebrafish (Danio rerio) research. ZFIN staff curate detailed information about genes, mutants, genotypes, reporter lines, sequences, constructs, antibodies, knockdown reagents, expression patterns, phenotypes, gene product function, and orthology from publications. Researchers can submit mutant, transgenic, expression, and phenotype data directly to ZFIN and use the ZFIN Community Wiki to share antibody and protocol information. Data can be accessed through topic‐specific searches, a new site‐wide search, and the data‐mining resource ZebrafishMine (http://zebrafishmine.org). Data download and web service options are also available. ZFIN collaborates with major bioinformatics organizations to verify and integrate genomic sequence data, provide nomenclature support, establish reciprocal links, and participate in the development of standardized structured vocabularies (ontologies) used for data annotation and searching. ZFIN‐curated gene, function, expression, and phenotype data are available for comparative exploration at several multi‐species resources. The use of zebrafish as a model for human disease is increasing. ZFIN is supporting this growing area with three major projects: adding easy access to computed orthology data from gene pages, curating details of the gene expression pattern changes in mutant fish, and curating zebrafish models of human diseases. genesis 53:498–509, 2015. © 2015 Wiley Periodicals, Inc.
Cross‐organism analysis using InterMine
Authors: Lyne Rachel , Sullivan Julie , Butano Daniela , Contrino Sergio , Heimbach Joshua , Hu Fengyuan , Kalderimis Alex , Lyne Mike , N. Smith Richard , Štěpán Radek , Balakrishnan Rama , Binkley Gail , Harris Todd , Karra Kalpana , A. T. Moxon Sierra , Motenko Howie , Neuhauser Steven , Ruzicka Leyla , Cherry Mike , Richardson Joel , Stein Lincoln , Westerfield Monte , Worthey Elizabeth , Micklem Gos
Published: June 2015

InterMine is a data integration warehouse and analysis software system developed for large and complex biological data sets. Designed for integrative analysis, it can be accessed through a user‐friendly web interface. For bioinformaticians, extensive web services as well as programming interfaces for most common scripting languages support access to all features. The web interface includes a useful identifier look‐up system, and both simple and sophisticated search options. Interactive results tables enable exploration, and data can be filtered, summarized, and browsed. A set of graphical analysis tools provide a rich environment for data exploration including statistical enrichment of sets of genes or other entities. InterMine databases have been developed for the major model organisms, budding yeast, nematode worm, fruit fly, zebrafish, mouse, and rat together with a newly developed human database. Here, we describe how this has facilitated interoperation and development of cross‐organism analysis tools and reports. InterMine as a data exploration and analysis tool is also described. All the InterMine‐based systems described in this article are resources freely available to the scientific community. genesis 53:547–560, 2015. © 2015 Wiley Periodicals, Inc.
Differences in style length confer prezygotic isolation between two dioecious species ofSilenein sympatry
Authors: Nista Phil , Brothers Amanda N. , Delph Lynda F.
Published: June 2015

One fundamental signature of reinforcement is elevated prezygotic reproductive isolation between related species in sympatry relative to allopatry. However, this alone is inadequate evidence for reinforcement, as traits conferring reproductive isolation can occur as a by‐product of other forces. We conducted crosses betweenSilene latifoliaandS. diclinis, two closely related dioecious flowering plant species. Crosses withS. latifoliamothers from sympatry exhibited lower seed set than mothers from five allopatric populations whenS. dicliniswas the father. However, two other allopatric populations also exhibited low seed set. A significant interaction between style length and sire species revealed that seed set declined as style length increased when interspecific, but not intraspecific, fathers where used. Moreover, by varying the distance pollen tubes had to traverse, we found interspecific pollen placement close to the ovary resulted in seed set in both long‐ and short‐styledS. latifoliamothers. Our results reveal that the long styles ofS. latifoliain sympatry withS. dicliniscontribute to the prevention of hybrid formation. We argue that forces other than reinforcing selection are likely to be responsible for the differences in style length seen in sympatry.
Groundwater connectivity controls peat burn severity in the boreal plains
Authors: Hokanson K. J. , Lukenbach M. C. , Devito K. J. , Kettridge N. , Petrone R. M. , Waddington J. M.
Published: June 2015

Wildfire is the largest disturbance affecting peatland ecosystems and can typically result in the combustion of 2–3 kg C m−2 of near‐surface peat. We hypothesized that organic soil burn severity, as well as the associated carbon emissions, varies significantly as a function of hydrogeological setting due to groundwater impacts on peat bulk density and moisture content. We measured depth of burn (DOB) in three peatlands located along a hydrogeological and topographic gradient in Alberta's Boreal Plains. Peatland margins across all hydrogeological settings burned significantly deeper (0.245 ± 0.018 m) than peatland middles (0.057 ± 0.002 m). Further, hydrogeological setting strongly impacted DOB. A bog with an ephemeral groundwater connection in a coarse‐textured glaciofluvial outwash experienced the greatest DOB at its margins (0.514 ± 0.018 m) due to large water table fluctuations, while a low‐lying oligotrophic groundwater flow‐through bog in a coarse‐textured glaciofluvial outwash experienced limited water table fluctuations and had the lowest margin burn severity (0.072 ± 0.002 m). In an expansive peatland in a lacustrine clay plain, DOB at the margins bordering an isolated domed bog portion (0.186 ± 0.003 m, range: 0.0–0.748 m) was considerably greater than the DOB observed at fen margins with a longer groundwater flow path (<0.05 m). Our research indicates that groundwater connectivity can have a dominant control on soil carbon combustion across and within hydrogeological settings. We suggest that hydrogeological setting be used to identify potential deep burning ‘hotspots’ on the landscape to increase the efficacy of wildfire management and mitigation strategies. Copyright © 2015 John Wiley & Sons, Ltd.
Rainfall infiltration and soil hydrological characteristics below ancient forest, planted forest and grassland in a temperate northern climate
Authors: Archer Nicole A. L. , Otten Wilfred , Schmidt Sonja , Bengough A. Glyn , Shah Nadeem , Bonell Mike
Published: June 2015

How rainfall infiltration rate and soil hydrological characteristics develop over time under forests of different ages in temperate regions is poorly understood. In this study, infiltration rate and soil hydrological characteristics were investigated under forests of different ages and under grassland. Soil hydraulic characteristics were measured at different scales under a 250‐year‐old grazed grassland (GL), 6‐year‐old (6yr) and 48‐year‐old (48yr) Scots pine (Pinus sylvestris) plantations, remnant 300‐year‐old individual Scots pine (OT) and a 4000‐year‐old Caledonian Forest (AF). In situ field‐saturated hydraulic conductivity (Kfs) was measured, and visible root:soil area was estimated from soil pits. Macroporosity, pore structure and macropore connectivity were estimated from X‐ray tomography of soil cores, and from water‐release characteristics.

At all scales, the median values for Kfs, root fraction, macroporosity and connectivity values tended to AF > OT > 48yr > GL > 6yr, indicating that infiltration rates and water storage increased with forest age. The remnant Caledonian Forest had a huge range of Kfs (12 to >4922 mm h−1), with maximum Kfs values 7 to 15 times larger than those of 48‐year‐old Scots pine plantation, suggesting that undisturbed old forests, with high rainfall and minimal evapotranspiration in winter, may act as important areas for water storage and sinks for storm rainfall to infiltrate and transport to deeper soil layers via preferential flow. The importance of the development of soil hydrological characteristics under different aged forests is discussed. Copyright 2015 British Geological Survey. Ecohydrology © 2015 John Wiley & Sons, Ltd.
Flow‐disturbance considered simulation for algae growth in a river–lake system
Authors: Wang Hua , Zhou Yiyi , Xia Kun , Yang Rui , Liu Xiaodong
Published: June 2015

A 1‐D–2‐D coupled numerical model embedded with the impact of hydrodynamic conditions on algae growth was developed to simulate the algae concentration for a river–lake system. Based on the laboratory experiment and field investigation, the ‘flow‐disturbance parameter α’ was presented to improve the algae growth formula. By numerical simulation, the algae growth processes in a river–lake system were simulated, and the temporal and spatial distributions of Chl‐a concentration in the area were analysed. Our results show the following: (1) Hydrodynamic conditions play an apparent effect on algae growth. A suitable turbulence is more beneficial for algal proliferation than the static or intense mixing. (2) In the studied area, the flow disturbances in the east–west rivers are generally stronger than that in the north–south rivers, while the Chl‐a concentration is oppositely distributed in the river networks. (3) As a result of the different flow disturbance intensities during periods, the algae cell density in all investigated sections also alters evidently along with the seasons. The average Chl‐a concentration in the dry seasons (November–April) increased by 9.22% than that in the flood seasons (May–October). (4) From the point of the whole river–lake system, the dynamic conditions in the lake inlet areas are more suitable for algae growth than that in the river networks. The Chl‐a concentrations of S2 and S4 are averagely increased by 18.5% than that in the river networks. Copyright © 2015 John Wiley & Sons, Ltd.
The Use of Malonate Coordination Polymers with CuII and BaII Atoms for Barium Cuprate Preparation
Authors: Dobrokhotova Zhanna V. , Gogoleva Natalya V. , Zorina‐Tikhonova Ekaterina N. , Kiskin Mikhail A. , Chernyshev Vladimir V. , Emelina Anna L. , Bukov Mikhail A. , Goloveshkin Alexander S. , Bushmarinov Ivan S. , Sidorov Aleksey A. , Bogomyakov Artem S. , Kovba Maksim L. , Novotortsev Vladimir M. , Eremenko Igor L.
Published: June 2015

The reactions of CuSO4·5H2O and Ba(R2mal) [R2mal2– is the dianion of 1,1‐cyclopropanedicarboxylic acid (H2Cpdc), 1,1‐cyclobutanedicarboxylic acid (H2Cbdc), or butylmalonic (H2Bumal) acid] in water give crystals of the 3D coordination polymers [BaCu(Cpdc)2]n (1), [BaCu(Cbdc)2(H2O)]n (2) and [Ba3Cu3(Bumal)6(H2O)11]n·2n(H2O) (3). The heating of 2 in air to 200 °C for 60 min results in the removal of the coordinated water molecules to give anhydrous [BaCu(Cbdc)2]n (4). The structures of 1–3 were determined by single‐crystal XRD, and that of 4 was derived from powder XRD (XPRD) data. It was assumed that the crystal structures of the polymer complexes that we isolated were determined, to a considerable extent, by the nature of the substituent of the dicarboxylic acid. For 2, the dicarboxylic acid contains closed cyclic moieties, which are retained during dehydration to give 4. A comparative study of the thermal decomposition processes and thermal kinetics of 1–3 showed that the dehydration proceeds by a single scheme, and the bonds between the structural moieties in the anhydrous intermediates become stronger. The thermal destruction of the anhydrous compounds 1, 4 and {3} [the dehydrated intermediate of the thermal decomposition of 3, as proved by thermogravimetric analysis (TGA) data] occurs above 170 °C. The phase compositions of their solid products are determined by the thermolysis conditions, and the formation of BaCuO2 from 3 can be realized under milder conditions than those for the formation from 1 and 2.
Synthesis, Characterization, Crystal Structures, and Catalytic C–C Coupling and Hydrosilylation Reactions of Palladium(II) Complexes Derived from CNC Pincer‐Type N‐Heterocyclic Carbenes
Authors: Haque Rosenani A. , Asekunowo Patrick O. , Budagumpi Srinivasa , Shao Linjun
Published: June 2015

A series of pyridine linker containing bis(benz)imidazolium salts serving as precursors to CNC pincer‐type N‐heterocyclic carbene (NHC) ligands were prepared by successive N‐alkylation of the azole core. Binuclear NHC complexes of silver(I) were synthesized by in situ deprotonation of the corresponding (benz)imidazolium salt with silver(I) oxide in acetonitrile at elevated temperature in the dark. Subsequently, pincer‐type palladium(II)–NHC complexes were prepared by transmetalation using silver(I)–NHC complexes in acetonitrile at elevated temperatures. All compounds were fully characterized by elemental analysis, FTIR spectroscopy, and 1H and 13C NMR spectroscopy. X‐ray diffraction studies on single crystals of three compounds confirmed the distorted square‐planar geometry around the palladium(II) center. All complexes are monomeric in nature, and the bis‐NHC ligand chelates in the CNC mode. The effective catalytic potentials of the palladium complexes were demonstrated by their high activities in aqueous‐phase Suzuki–Miyaura and Heck–Mizoroki cross‐coupling reactions of phenylboronic acid and n‐butyl acrylate with a range of functionalized bromobenzene derivatives. The former coupling reaction afforded biphenyls in yields of 71–99 %, whereas the latter reaction evidenced low yields of the n‐butyl cinnamates. Further, all the palladium complexes were studied for their potential in a catalytic hydrosilylation reaction.
Ionic and Neutral Half‐Sandwich Guanidinatoruthenium(II) Complexes and Their Solution Behavior
Authors: Kishan Ram , Kumar Robin , Baskaran Sambath , Sivasankar Chinnappan , Thirupathi Natesan
Published: June 2015

Ionic and neutral half‐sandwich guanidinatoruthenium(II) complexes [(η6‐C10H14)RuL(κ2(N,N′){(ArN)2C‐N(H)Ar})][OTf] [Ar = 4‐MeC6H4, L = 2‐methylimidazole (1); Ar = 2‐MeC6H4, L = 1,3,5‐triaza‐7‐phosphaadamantane (PTA; 2)], [(ArNH)3C][(η6‐C10H14)RuCl3] [Ar = 2‐ClC6H4 (3)] and [(η6‐C10H14)RuCl(κ2(N,N′){(ArN)2C‐N(H)Ar})] [Ar = 2‐ClC6H4 (4), 2‐FC6H4 (5), 4‐ClC6H4 (6), and 4‐(NO2)C6H4 (7)] have been isolated and the molecular structures of all but 6 were determined by single‐crystal X‐ray diffraction. VT 31P{1H} NMR spectroscopy of complex 2 revealed the presence of a mixture of four isomers in a ratio of appproximately 1.4:11.0:1.6:0.1. Theoretical calculations were performed on the syn‐syn, syn‐anti, anti‐syn, and anti‐anti conformers of 2, which revealed syn‐anti to be the most stable conformer, both in the gas phase and in solution. Furthermore, the energies relating to the interactions between the lone pairs of the nitrogen atoms of the CN3 unit and the antibonding orbital of the central carbon atom in the syn‐anti conformer of 2 were investigated by NBO analysis. The 1H NMR spectrum of 3 reveals the presence of two species and their ratio is dependent upon the concentration of 3 in CDCl3 and on the amount of D2O in CD3CN. The two species have been ascribed to the presence of a monomer and a water‐bridged dimer. The new complexes 1–7 were screened as pre‐catalysts in the transfer hydrogenation of acetophenone and complex 3 was tested as a pre‐catalyst in the transfer hydrogenation of a variety of ketones to explore the scope of the reaction.
Thiocyanato Coordination Polymers with Isomeric Coordination Networks – Synthesis, Structures, and Magnetic Properties
Authors: Werner Julia , Runčevski Tomče , Dinnebier Robert , Ebbinghaus Stefan G. , Suckert Stefan , Näther Christian
Published: June 2015

The reactions of M(NCS)2 (M = Mn, Fe, and Ni) with 4‐acetylpyridine (4‐Acpy) in water lead to the formation of discrete complexes of composition M(NCS)2(4‐Acpy)2(H2O)2, in which the metal cations are coordinated only N‐terminally to the thiocyanato anions. When heated, these precursors dehydrate, and some of them transform into compounds of composition [M(NCS)2(4‐Acpy)2]n, in which the metal cations are linked by pairs of μ‐1,3‐bridging anionic ligands into chains (1D isomer). In contrast, the thermal decomposition of Ni(NCS)2(4‐Acpy)4 or crystallization from solution leads to the formation of an isomeric 2D network of the same composition, which is thermodynamically more stable than the 1D isomer. Temperature‐dependent magnetic measurements of the 1D isomer [Fe(NCS)2(4‐Acpy)2]n at 200 Oe reveal antiferromagnetic ordering at TN = 4.5 K. Field‐dependent measurements show a metamagnetic transition into a saturated paramagnetic phase at a critical field of ca. 700 Oe. In contrast, magnetic measurements of the 2D isomer [Ni(NCS)2(4‐Acpy)2]n at 1000 Oe show a ferromagnetic transition at TC = 8.6 K, whereas only paramagnetic behavior is observed for the Ni 1D isomer.
A Family of Dinuclear Iron(II) SCO Compounds Based on a 1,3,4‐Thiadiazole Bridging Ligand
Authors: Herold Christian F. , Carrella Luca M. , Rentschler Eva
Published: June 2015

A new family of dinuclear iron(II) spin‐crossover (SCO) compounds with the formula [Fe2(μ‐L)2]X4, with three different counteranions [X = BF4– (1), ClO4– (2) and F3CSO3– (3)], was prepared and characterized by single‐crystal X‐ray diffraction, variable‐temperature magnetic susceptibility and Mössbauer measurements. These are the first dinuclear iron(II) SCO complexes with a 1,3,4‐thiadiazole bridging ligand L {with L = 2,5‐bis[(2‐pyridylmethyl)amino]methyl‐1,3,4‐thiadiazole}. The magnetic measurements reveal a gradual and incomplete SCO of the three compounds around room temperature, starting from a diamagnetic [LS–LS] state. The diamagnetic ground state is in agreement with the single‐crystal X‐ray diffraction and Mössbauer data.
A ground motion selection procedure for enforcing hazard consistency and estimating seismic demand hazard curves
Authors: Kwong N. Simon , Chopra Anil K. , McGuire Robin K.
Published: June 2015

This paper develops a procedure to select unscaled ground motions for estimating seismic demand hazard curves (SDHCs) in performance‐based earthquake engineering. Currently, SDHCs are estimated from a probabilistic seismic demand analysis, where several ensembles of ground motions are selected and scaled to a user‐specified scalar conditioning intensity measure (IM). In contrast, the procedure developed herein provides a way to select a single ensemble of unscaled ground motions for estimating the SDHC. In the context of unscaled motions, the proposed procedure requires three inputs: (i) database of unscaled ground motions, (ii) IM, the vector of IMs for selecting ground motions, and (iii) sample size, n; in the context of scaled motions, two additional inputs are needed: (i) a maximum acceptable scale factor, SFmax, and (ii) a target fraction of scaled ground motions, γ. Using a recently developed approach for evaluating ground motion selection and modification procedures, the proposed procedure is evaluated for a variety of inputs and is demonstrated to provide accurate estimates of the SDHC when the vector of IMs chosen to select ground motions is sufficient for the response quantity of interest. Copyright © 2015 John Wiley & Sons, Ltd.