bluuebunny/crossref_metadata_2025 huggingface dataset:
A new cell cycle checkpoint that senses plasma membrane/cell wall damage in budding yeast
Authors: Kono Keiko , Ikui Amy E.
Published: February 2017

In nature, cells face a variety of stresses that cause physical damage to the plasma membrane and cell wall. It is well established that evolutionarily conserved cell cycle checkpoints monitor various cellular perturbations, including DNA damage and spindle misalignment. However, the ability of these cell cycle checkpoints to sense a damaged plasma membrane/cell wall is poorly understood. To the best of our knowledge, our recent paper described the first example of such a checkpoint, using budding yeast as a model. In this review, we will discuss this important question as well as provide hypothetical explanations to be tested in the future.
Exact Fundamental Functions of the Random Walk in One‐dimensional Confined System
Authors: Yoon Joung‐Hahn , Kim Hyojoon
Published: February 2017

We have found the exact discrete solutions for the one‐dimensional confined system where two outer boundaries are either absorbing or reflecting. The solution can be easily generalized to the system where one boundary is absorbing and the other is reflecting. The exact solutions are proved by the mathematical induction method analytically and by the simulations numerically. We also prove that the exact discrete solution can be reduced to the well‐known continuum solution.
Novel anticarcinoembryonic antigen antibody–drug conjugate has antitumor activity in the existence of soluble antigen
Authors: Shinmi Daisuke , Nakano Ryosuke , Mitamura Keisuke , Suzuki‐Imaizumi Minami , Iwano Junko , Isoda Yuya , Enokizono Junichi , Shiraishi Yasuhisa , Arakawa Emi , Tomizuka Kazuma , Masuda Kazuhiro
Published: February 2017

Carcinoembryonic antigen (CEA) is a classic tumor‐specific antigen that is overexpressed in several cancers, including gastric cancer. Although some anti‐CEA antibodies have been tested, to the best of our knowledge, there are currently no clinically approved anti‐CEA antibody therapies. Because of this, we have created the novel anti‐CEA antibody, 15‐1‐32, which exhibits stronger binding to membrane‐bound CEA on cancer cells than existing anti‐CEA antibodies. 15‐1‐32 also shows poor affinity for soluble CEA; thus, the binding activity of 15‐1‐32 to membrane‐bound CEA is not influenced by soluble CEA. In addition, we constructed a 15‐1‐32‐monomethyl auristatin E conjugate (15‐1‐32‐vcMMAE) to improve the therapeutic efficacy of 15‐1‐32. 15‐1‐32‐vcMMAE showed enhanced antitumor activity against gastric cancer cell lines. Unlike with existing anti‐CEA antibody therapies, antitumor activity of 15‐1‐32‐vcMMAE was retained in the presence of high concentrations of soluble CEA.
A comparison between Lynch syndrome and sporadic colorectal cancer survivors’ satisfaction with their healthcare providers
Authors: Burton‐Chase Allison M. , Parker Wendy M. , Polivka Katrina M. , Gritz Ellen R. , Amos Christopher I. , Lu Karen H. , Lynch Patrick M. , Rodriguez‐Bigas Miguel A. , Nancy You Y. , Peterson Susan K.
Published: February 2017

This study evaluated provider satisfaction in a sample of colorectal cancer (CRC) survivors with and without Lynch syndrome (LS). Participants were case–case‐matched CRC survivors with (n = 75) or without (n = 75) LS (mean age of 55; range: 27–93). Participants completed a mailed questionnaire assessing demographics, clinical characteristics, healthcare utilization, psychosocial variables, and provider satisfaction. LS CRC survivors reported lower provider satisfaction scores on three subscales of the Primary Care Assessment Survey: communication (78.14 vs. 83.96; P < 0.05), interpersonal treatment (78.58 vs. 85.30; P < 0.05), and knowledge of the patient (60.34 vs. 69.86; P < 0.01). Among LS CRC survivors, predictors for mean communication and trust subscale scores were location of treatment and socioeconomic status. Higher mean depression scores also were associated with trust, while social support predicted higher satisfaction with communication. Sporadic CRC survivor satisfaction is driven largely by age (communication, interpersonal treatment) and patient anxiety (communication), while seeing a provider more often was associated with increased satisfaction with knowledge of the patient. LS CRC survivors reported lower levels of provider satisfaction than sporadic CRC survivors. LS survivors who received care at The University of Texas MD Anderson Cancer Center, a comprehensive cancer center (CCC), reported higher satisfaction than those receiving care at other institutions. Depressive symptoms and socioeconomic status may impact provider satisfaction ratings. Exploration of other potential predictors of provider satisfaction should be examined in this population. Additionally, further research is needed to examine the potential impact of provider satisfaction on adherence to medical recommendations in LS CRC survivors, particularly those being treated outside of CCCs.
Opportunities for improving triple‐negative breast cancer outcomes: results of a population‐based study
Authors: Rapiti Elisabetta , Pinaud Kim , Chappuis Pierre O. , Viassolo Valeria , Ayme Aurélie , Neyroud‐Caspar Isabelle , Usel Massimo , Bouchardy Christine
Published: February 2017

Triple‐negative breast cancer (TNBC) is associated with a poor prognosis. Surgery, radiotherapy, chemotherapy, and referral for genetic counseling are the standard of care. We assessed TNBC prevalence, management, and outcome using data from the population‐based Geneva cancer registry. 2591 women had a first invasive stage I‐III breast cancer diagnosed between 2003 and 2011. We compared TNBC to other breast cancers (OBC) by χ2‐test and logistic regression. Kaplan–Meier survival curves, up to 31‐12‐2014, were compared using log‐rank test. TNBC risk of mortality overall (OS) and for breast cancer (BCSS) was evaluated through Cox models. Linkage with the Oncogenetics and Cancer Prevention Unit (OCPU) database of the Geneva University Hospitals provided genetic counseling information. TNBC patients (n = 192, 7.4%) were younger, more often born in Africa or Central‐South America than OBC, had larger and more advanced tumors. 18% of TNBC patients did not receive chemotherapy. Thirty‐one (17%) TNBC women consulted the OCPU, 39% among those aged <40 years. Ten‐year survival was lower in TNBC than OBC (72% vs. 82% for BCSS; P < 0.001; 80% vs. 91% for OS; P < 0.001). The mortality risks remained significant after adjustment for other prognostic variables. The strongest determinants of mortality were age, place of birth, and lymph node status. A substantial proportion of TNBC patients in Geneva did not receive optimal care. Over 60% of eligible women did not receive genetic counseling and 18% did not receive chemotherapy. To improve TNBC prognosis, comprehensive care as recommended by standard guidelines should be offered to all patients.
Follow 5 steps to create elegant and accessible web design
Authors: Sutton Halley
Published: February 2017

ANAHEIM, Calif. — Your unit's website provides valuable information about campus safety and about what to do in an emergency. A site that is inaccessible to students and others with disabilities could lead to a crisis escalating even to the point of lost lives.
End‐stage renal disease and severe aortic stenosis: Does valve replacement improve one‐year outcomes?
Authors: Condado Jose F. , Maini Aneel , Leshnower Bradley , Thourani Vinod , Forcillo Jessica , Devireddy Chandan , Mavromatis Kreton , Sarin Eric L. , Stewart James , Guyton Robert , Simone Amy , Keegan Patricia , Lerakis Stamatios , Block Peter C. , Babaliaros Vasilis
Published: February 2017

Background

Treatment for patients with end‐stage renal disease (ESRD) and severe aortic stenosis (AS) includes balloon aortic valvuloplasty (BAV), surgical (SAVR), or transcatheter (TAVR) aortic valve replacement. We compared outcomes among these strategies.

Methods

A retrospective review of patients with ESRD undergoing treatment for severe AS between 07/2007 and 06/2015 was performed at our center. Patients were classified based on treatment: BAV‐only, TAVR, or SAVR. Baseline characteristics and 30‐day outcomes were compared among groups. A 1‐year survival analysis was performed.

Results

Of 85 patients, 25 (29.4%) underwent BAV, 30 (35.3%) TAVR, and 30 (35.3%) SAVR. Patients in the SAVR group, compared to the BAV or TAVR patients, were younger (63 vs. 74 vs. 71 years, P = 0.02) and had less prior stroke (3.3% vs. 12.0% vs. 30.0%, P = 0.008). While all BAV patients had NYHA class III/IV, 93.3% and 76.7% of patients had NYHA class III/IV in the TAVR and SAVR group, respectively (P = 0.001). BAV patients were less likely to have atrial fibrillation than TAVR or SAVR patients (16.0% vs. 43.3% vs. 50.0%, P = 0.03). All patients were high risk, but there was a statistical trend to lower STS scores in the SAVR group (8.6% vs. 13.5% vs. 13.5%, P = 0.08). There was no significant difference in 30‐day mortality (16.7% vs. 10.0% vs. 10.0%, P = 0.74), but BAV treated patients had an increased 1‐year mortality compared to those treated with TAVR or SAVR (87.0% vs. 32.0%, vs. 36.7%, P=<0.001). Independent predictors of 1‐year mortality were a higher STS score (HR 1.026, 95%CI 1.002–1.051) and BAV‐only strategy (BAV vs. TAVR: HR 3.961, 95%CI 1.595–9.840), but dialysis duration and type, and SAVR versus TAVR were not.

Conclusions

Patients with ESRD and severe AS have a similar and higher survival with TAVR or SAVR when compared to BAV at 1‐year. These results may influence patient care decisions favoring valve replacement in AS patients with ESRD. © 2016 Wiley Periodicals, Inc.
Selective Oxidation of Methanol to Dimethoxymethane at Low Temperatures through Size‐controlled VTiOx Nanoparticles
Authors: Sima Rui , Liu Guojuan , Wang Qiyan , Wu Ping , Qin Tingting , Zeng Gaofeng , Chen Xinqing , Liu Ziyu , Sun Yuhan
Published: February 2017

A vanadium/titanium mixed‐oxide catalyst with a narrow particle‐size distribution, large BET surface area, high dispersion of vanadium, and enhanced acidity and redox capabilities was prepared by a cetyltrimethylammonium bromide (CTAB) surfactant‐associated vanadium oxide and titanium oxide co‐precipitation route. The impact of the CTAB content on the catalyst properties, including structure, chemical states, and acidity and redox activities, was investigated by X‐ray diffraction, BET surface area, high‐resolution transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, X‐ray photoelectron spectroscopy, Raman spectroscopy, H2 temperature‐programmed reduction, and temperature‐programmed desorption of ammonia. Relative to the catalyst prepared without CTAB, the resultant catalyst exhibited significantly improved low‐temperature activity for the oxidation of methanol to dimethoxymethane (DMM). A maximum methanol conversion of 53 % with 93 % selectivity to DMM were achieved over the VTiS–CTAB catalyst at 120 °C, and this optimized reaction temperature is 25 °C lower than that needed for the reference catalysts and the yield of DMM is comparable.
Electrochemiluminescence of a Vinyl‐Functionalized Ruthenium Complex and Its Monolayer Formed through the Photoinduced Thiol‐Ene Click Reaction
Authors: Guo Weiliang , Cao Zhiyuan , Liu Yanhuan , Su Bin
Published: February 2017

Vinyl‐functionalized bipyridine ruthenium complex, bis(2,2′‐bipyridine)(4,4′‐di(4‐vinylphenyl)‐2,2′‐bipyridine)ruthenium(II) hexaflurophosphate [Ru(bpy)2(dvbpy)](PF6)2, was synthesized and the electrochemiluminescence (ECL) generated in the presence of co‐reactant, namely tri‐n‐propylamine (TPrA), was investigated by using an ECL spooling technique. This complex was then covalently attached to the indium tin oxide electrode surface through photoinduced thiol‐ene click chemistry to prepare a solid‐state ECL sensor. The covalently immobilized [Ru(bpy)2(dvbpy)]2+ monolayer film exhibited excellent stability toward ECL generation. The analytical sensitivity of the solid‐state ECL sensor was evaluated through the detection of TPrA in the aqueous solution. A low limit of detection (LOD) of 0.25 μM and a wide linear range (ca. 10−7–10−4 M) were obtained, indicating its potential usefulness in chemical and biochemical analysis.
Formation of Organometallic Intermediate States in On‐Surface Ullmann Couplings
Authors: Barton Dennis , Gao Hong‐Ying , Held Philipp Alexander , Studer Armido , Fuchs Harald , Doltsinis Nikos L. , Neugebauer Johannes
Published: February 2017

Possible origins of the formation of organometallic intermediates in on‐surface Ullmann couplings have been investigated by surface tunneling microscopy (STM) and density functional theory (DFT) calculations. We consider the case of iodobenzenes on the coinage metals copper, silver, and gold. We found experimental evidence for the formation of surface vacancies and the presence of metal adatoms in these coupling reactions, which are taken as a hint for the reactive extraction of surface atoms by adsorbates. In a second step, we demonstrate by ab initio molecular dynamics calculations for aryl–iodides on copper that metal atoms can be pulled out of the surface to form metal‐organic species. By contrast, a thermally activated provision of a metal atom from the surface to form an adatom is energetically unfavorable. Finally, we investigate the mechanism and energetics of the reactive extraction of surface metal atoms by means of (climbing‐image) nudged elastic band density‐functional theory calculations for iodobenzene on copper, silver, and gold, and analyze our results in the light of the experimental findings.
Design, Synthesis, and Biological Evaluation of Chalcone‐Containing Shikonin Derivatives as Inhibitors of Tubulin Polymerization
Authors: Qiu Han‐Yue , Wang Fang , Wang Xue , Sun Wen‐Xue , Qi Jin‐Liang , Pang Yan‐Jun , Yang Rong‐Wu , Lu Gui‐Hua , Wang Xiao‐Ming , Yang Yong‐Hua
Published: February 2017

The biological importance of microtubules in mitosis makes them an interesting target for the development of anticancer agents. In this study, a series of novel chalcone‐containing shikonin derivatives was designed, synthesized, and evaluated for biological activities. Among them, derivative PMMB‐259 [(R)‐1‐(5,8‐dihydroxy‐1,4‐dioxo‐1,4‐dihydronaphthalen‐2‐yl)‐4‐methylpent‐3‐en‐1‐yl (E)‐2‐(4‐(3‐oxo‐3‐(3‐(trifluoromethoxy)phenyl)prop‐1‐en‐1‐yl)phenoxy)acetate] was identified as a potent inhibitor of tubulin polymerization. Further investigation confirmed that PMMB‐259 can induce MCF‐7 cell apoptosis, reduce the mitochondrial transmembrane potential, and arrest the cell cycle at the G2/M phase. Moreover, the morphological variation of treated cells was visualized by confocal microscopy. The results, along with docking simulations, further indicated that PMMB‐259 can bind well to tubulin at the colchicine site. Overall, these studies may provide a new molecular scaffold for the further development of antitumor agents that target tubulin.
Prostatic Specific Antigen and the Prediction of Prognosis in Metastatic Prostatic Cancer
Authors: Cooper E. H. , Armitage T. G. , Robinson M. R. G. , Newling D. W. W. , Richards B. R. , Smith P. H. , Denis L. , Sylvester R.
Published: February 2017

Serum prostate‐specific antigen (PSA) levels were studied in the EORTC trial of zoladex plus flutamide versus orchidectomy in metastatic prostatic cancer. Forty‐four of 60 patients had a decrease of PSA to ≤10 ng/ml at 3 to 6 months after treatment. The combination of a PSA > 10 ng/ml after 3 to 6 months treatment and less than 15 spots on the bone scintigram at entry gave the highest probability of not having progressed by 24 months. A rising PSA anticipated bone progression by 6 to 12 months in 13 of 28 patients (46%). The PSA at entry to the trial was related to survival; a discriminant of 300 ng/ml distinguished a poor and better risk group. The lowest level of PSA reached during the first 6 months of treatment was also a univariate survival factor.
Comparability of EORTC and DAPROCA Studies in Advanced Prostatic Cancer
Authors: Suciu S. , Sylvester R. , Iversen P. , Christensen I. , Denis L.
Published: February 2017

Very often not enough patients are entered and/or the follow‐up is insufficient to be able to draw valid conclusions in cancer clinical trials. In this article, we discuss the possibility of pooling the data from two or more trials asking the same or similar questions in order to overcome such problems. How comparable the studies should be for combining their data, in terms of design, patient population, followup, and end‐points, is discussed in the first part of this paper. Whether these general considerations were completely or partially fulfilled in the two prostatic studies of the EORTC and DAPROCA is the subject of the second part of this article. Problems of interpreting apparently contradictory results, like the superiority of zoladex and flutamide over orchidectomy in terms of time to progression with no clear superiority in terms of overall duration of survival, is also discussed.
Leuprolide With and Without Flutamide in Advanced Prostate Cancer
Authors: Crawford E. David , Blumenstein Brent A. , Goodman Phyllis J. , Davis Marilyn A. , Eisenberger Mario A. , McLeod David G. , Spaulding Joseph T. , Benson Ralph , Dorr F. Andrew
Published: February 2017

In a randomized, double‐blind trial for metastatic prostate cancer (Stage D2), 603 men received leuprolide, a gonadotropin‐releasing hormone analog that inhibits the release of gonadotropins, coupled with either placebo or flutamide, a nonsteroidal antiandrogen that inhibits the binding of androgens to the cell nucleus. The 303 men receiving androgen blockade with leuprolide and flutamide demonstrated a longer progression‐free survival (16.9 vs. 13.9 months, P = 0.039) and an increased median length of survival (35.0 vs. 27.9 months, P = 0.035). In the subgroup of men with minimal disease and good performance status, the advantages of maximal androgen blockade were more pronounced. It is concluded that combined androgen blockade with leuprolide and flutamide was more effective than leuprolide alone for patients with metastatic cancer of the prostate. The therapeutic benefits, although greatest in patients with minimum disease, need to be evaluated in a prospective, randomized fashion in trials specifically designed for men with minimal disease and good performance status. Exploratory analyses using the black race as an explanatory variable were also performed. Black race is associated with shorter survival times and is also associated with other prognostic factors, including recent weight loss, anemia, elevated phosphatase levels, and pain. These findings suggest the need for future studies of the relationship of black race and response to prostate cancer therapy.
Zoladex and Flutamide Versus Bilateral Orchiectomy
Authors: Keuppens F. , Denis L. , Smith P. , Carvalho A. Pinto , Newling D. , Bond A. , Sylvester R. , De Pauw M. , Vermeylen K. , Ongena P.
Published: February 2017

A total of 327 patients with metastatic prostatic cancer were randomized to either bilateral orchiectomy or treatment with zoladex depot supplemented by flutamide 250 mg 3 qid. Statistically significant increases in time to subjective and objective progression were recorded in favor of the combination treatment. No differences in time to death by cancer or overall death were recorded. The clinical significance of these differences will be reassessed once additional follow‐up is available and further analysis of the overall clinical material has been carried out. Cancer 66:1045–1057, 1990.
A Phase III Trial of Zoladex and Flutamide Versus Orchiectomy in the Treatment of Patients With Advanced Carcinoma of the Prostate
Authors: Iversen P. , Christensen M. G. , Friis E. , Hornbøl P. , Hvidt V. , Iversen H. G. , Klarskov P. , Krarup T. , Lund F. , Mogensen P. , Pedersen T. , Rasmussen F. , Rose C. , Skaarup P. , Wolf H.
Published: February 2017

In a multicenter Phase III trial 264 patients with advanced prostatic cancer were randomized to either bilateral orchiectomy or treatment with zoladex supplemented by flutamide. Presently, median follow‐up time is 30 months. A small difference in objective response was recorded in favor of the combination therapy, whereas no statistically significant difference was found in subjective response to therapy, time to progression, and overall survival. Adverse effects were more commonly encountered in the pharmacologically treated patients. It is concluded that the combination of zoladex plus flutamide is not clinically superior to orchiectomy in the treatment of patients with advanced carcinoma of the prostate.
Upfront window vincristine/irinotecan treatment of high‐risk hepatoblastoma: A report from the Children's Oncology Group AHEP0731 study committee
Authors: Katzenstein Howard M. , Furman Wayne L. , Malogolowkin Marcio H. , Krailo Mark D. , McCarville M. Beth , Towbin Alexander J. , Tiao Greg M. , Finegold Milton J. , Ranganathan Sarangarajan , Dunn Stephen P. , Langham Max R. , McGahren Eugene D. , Rodriguez‐Galindo Carlos , Meyers Rebecka L.
Published: February 2017

BACKGROUND

The identification of new therapies for high‐risk (HR) hepatoblastoma is challenging. Children's Oncology Group study AHEP0731 included a HR stratum to explore the efficacy of novel agents. Herein, the authors report the response rate to the combination of vincristine (V) and irinotecan (I) and the outcome of patients with high‐risk hepatoblastoma.

METHODS

Patients with newly diagnosed metastatic hepatoblastoma or those with a serum α‐fetoprotein (AFP) level <100 ng/mL were eligible. Patients received 2 cycles of V at a dose of 1.5 mg/m2/day intravenously on days 1 and 8 and I at a dose of 50 mg/m2/day intravenously on days 1 to 5. Patients were defined as responders if they had either a 30% decrease in tumor burden according to Response Evaluation Criteria In Solid Tumors (RECIST) or a 90% (>1 log10) decline in their AFP level. Responders were to receive 2 additional cycles of VI intermixed with 6 cycles of the combination of cisplatin, doxorubicin, 5‐fluorouracil, and vincristine (C5VD). Nonresponders were to receive 6 cycles of C5VD alone.

RESULTS

A total of 32 patients with a median age at diagnosis of 26 months (range, 11‐159 months) were enrolled between September 2009 and February 2012. Fourteen of 30 evaluable patients were responders (RECIST and AFP in 6 patients, RECIST only in 3 patients, and AFP only in 5 patients). The median AFP decline after 2 cycles of VI for the entire group was 345,565 ng/mL (85% of the initial AFP). The 3‐year event‐free and overall survival rates were 49% (95% confidence interval, 30%‐65%) and 62% (95% confidence interval, 42%‐77%), respectively.

CONCLUSIONS

The VI combination appears to have substantial activity against HR hepatoblastoma. The ultimate impact of this regimen in improving the outcomes of children with HR hepatoblastoma remains to be determined. Cancer 2017;123:2360–2367. © 2017 American Cancer Society.
Context‐dependent functional dispersion across similar ranges of trait space covered by intertidal rocky shore communities
Authors: Valdivia Nelson , Segovia‐Rivera Viviana , Fica Eliseo , Bonta César C. , Aguilera Moisés A. , Broitman Bernardo R.
Published: February 2017

Functional diversity is intimately linked with community assembly processes, but its large‐scale patterns of variation are often not well understood. Here, we investigated the spatiotemporal changes in multiple trait dimensions (“trait space”) along vertical intertidal environmental stress gradients and across a landscape scale. We predicted that the range of the trait space covered by local assemblages (i.e., functional richness) and the dispersion in trait abundances (i.e., functional dispersion) should increase from high‐ to low‐intertidal elevations, due to the decreasing influence of environmental filtering. The abundance of macrobenthic algae and invertebrates was estimated at four rocky shores spanning ca. 200 km of the coast over a 36‐month period. Functional richness and dispersion were contrasted against matrix‐swap models to remove any confounding effect of species richness on functional diversity. Random‐slope models showed that functional richness and dispersion significantly increased from high‐ to low‐intertidal heights, demonstrating that under harsh environmental conditions, the assemblages comprised similar abundances of functionally similar species (i.e., trait convergence), while that under milder conditions, the assemblages encompassed differing abundances of functionally dissimilar species (i.e., trait divergence). According to the Akaike information criteria, the relationship between local environmental stress and functional richness was persistent across sites and sampling times, while functional dispersion varied significantly. Environmental filtering therefore has persistent effects on the range of trait space covered by these assemblages, but context‐dependent effects on the abundances of trait combinations within such range. Our results further suggest that natural and/or anthropogenic factors might have significant effects on the relative abundance of functional traits, despite that no trait addition or extinction is detected.
Full and effective participation of indigenous peoples in forest monitoring for reducing emissions from deforestation and forest degradation (REDD+): trial in Panama's Darién
Authors: Mateo‐Vega Javier , Potvin Catherine , Monteza José , Bacorizo José , Barrigón Joselito , Barrigón Raúl , López Nakibeler , Omi Lupita , Opua Mariano , Serrano Juan , Cushman K. C. , Meyer Chris
Published: February 2017

A primary technical requirement of the climate change mitigation mechanism, reducing emissions from deforestation and forest degradation (REDD+), is to calculate emissions factors, that is, the amount of CO2 emissions or removals per hectare from land use and land‐use change. Emissions factors are calculated from baseline estimates of the aboveground biomass (AGB) stored in different vegetation types. Ground‐based methods for estimating AGB, such as forest inventories, despite being relatively accurate and necessary for calibrating remotely sensed data such as satellite or airborne Light Detection and Ranging, tend to be expensive and time‐consuming. Thus, calls have been made to improve the cost‐efficiency of these methods within the context of REDD+. Also as part of REDD+, there have been calls for the legitimate inclusion of indigenous peoples and rural communities in various aspects of the mechanism. To address both of these issues, we devised a participatory, rapid, forest inventorying method and tested it across the heterogeneous forest landscape of Darién, Panama. This effort took place within a project that was administratively and logistically managed entirely by an indigenous organization working in collaboration with indigenous authorities in Darién, with funding from the World Bank. A group of 24 indigenous technicians were trained on forest inventorying methods. They established and measured thirty 1‐ha plots under our direct supervision. We tested for various sources of error in tree diameter and height measurements. We also tested the scalability of our tree‐level biomass estimates to the plot level by comparing our results with simulations conducted on the Barro Colorado Island 50‐ha permanent plot data. Results indicate that our rapid, participatory, forest inventorying method effectively captures plot‐level AGB, while guaranteeing the full and effective participation of indigenous peoples. The benefits of our method in terms of cost‐efficiency and access to remote forest areas are discussed, as well as those accrued by indigenous peoples.
Reaction of Copper Halides with Dafone and Halogens – Magnetic Exchange in Dibromine Linked Chains of Cu(dafone)2X2
Authors: Babu Ramavath , Bhargavi Govindugari , Rajasekharan Melath V.
Published: February 2017

The reaction of CuII halides with 4,5‐diazaflouren‐9‐one (dafone) in acetonitrile and in the presence of halogens gave four novel compounds: [Cu(dafone)2Cl2]Br2 (1), [Cu(dafone)2Br2]Br2 (2), [Cu(dafone)2(CH3CN)2](IBr2)2 (3), and [Cu(dafone)2(CH3CN)2](Br3)2(Br2)2 (4). The well‐known preference of dafone to form an unsymmetrical chelate with Cu2+ directs the halide ion and acetonitrile to the equatorial plane of the octahedral complex. In 1 and 2, dibromine links the neutral halo complex molecules to form infinite chains of the previously known neutral molecules. The acetonitrile complex in 3 has the symmetrical mixed trihalide (IBr2–) as a counterion, while in 4 the cation is surrounded by a tribromide‐dibromine network. Raman, EPR, optical absorption, and luminescence characteristics are discussed. The dibromine molecules in 1 and 2 provide a pathway for weak magnetic coupling along the chain polymer.
Operationally Convenient and Scalable Asymmetric Synthesis of (2S)‐ and (2R)‐α‐(Methyl)cysteine Derivatives through Alkylation of Chiral Alanine Schiff Base NiII Complexes
Authors: Yamamoto Junya , Kawashima Aki , Kawamura Akie , Abe Hidenori , Moriwaki Hiroki , Shibata Norio , Soloshonok Vadim A.
Published: February 2017

This research demonstrates that the methylation of N‐benzyl cysteine Schiff base derived NiII complexes leads to the formation of the corresponding dehydroalanine‐containing products and cannot be used for preparation of the target α‐(methyl)cysteine. In sharp contrast, the alternative strategy that involves thiomethylation of NiII complexes of alanine Schiff bases is a viable and practically attractive approach to afford the desired α‐(methyl)cysteine containing derivatives. This work also reveals a significant, and rather unexpected, difference in the stereochemical performance of proline and 3,5‐dihydro‐4H‐dinaphth[2,1‐c:1′,2′‐e]azepine derived chiral ligands, the former of which shows superior performance in terms of chemical yields and diastereoselectivity of the α‐(methyl)cysteine products formed.
Palladium‐Catalyzed 3‐Aryl‐5‐acyl‐1,2,4‐thiadiazole Formation from Ketones, Amidines, and Sulfur Powder
Authors: Wang Zilong , Xie Hao , Xiao Fuhong , Guo Yanjun , Huang Huawen , Deng Guo‐Jun
Published: February 2017

An efficient strategy for the preparation of 3,5‐disubstituted 1,2,4‐thiadiazoles from ketones, amidines, and sulfur powder under palladium‐catalyzed conditions was developed. In this transformation, aromatic ketones act as both the carbon and acyl sources. The reaction provided efficient access to 3‐aryl‐5‐acyl‐1,2,4‐thiadiazoles from readily available starting materials.
Photoredox‐Induced Radical 6‐exo‐trig Cyclizations onto the Indole Nucleus: Aromative versus Dearomative Pathways
Authors: Alpers Dirk , Brasholz Malte , Rehbein Julia
Published: February 2017

The investigation of photoredox‐induced intra‐ and intermolecular radical [4+2] annulations of indoles confronted us with a puzzling dichotomous behavior of structurally closely related intermediate 3‐indolyl radicals, which either undergo exclusive oxidation to tricyclic tetrahydropyridoindoles or reduction to benzindolizidine products under identical reaction conditions. A combined experimental and computational study revealed that only very subtle structural changes in the substrate–reactant complexes of the key radical intermediates with amine radical cations steer the divergent product selectivities, instead of the usual reactivity parameters such as ionization potentials or partial charges.
Use of peak sharpening effects to improve the separation of chiral compounds with molecularly imprinted porous polymer layer open‐tubular capillaries
Authors: Kulsing Chadin , Yang Yuanzhong , Chowdhury Jamil M. , Boysen Reinhard I. , Hearn Milton T. W.
Published: February 2017

This investigation demonstrates the application of a new peak sharpening technique to improve the separation of difficult‐to‐resolve racemic mixtures in capillary electro‐chromatography. Molecularly imprinted porous layer open tubular (MIP‐PLOT) capillaries, prepared by a layer‐on‐layer polymerization approach with Z‐l‐Asp‐OH as the template, were selected to validate the approach. SEM revealed that the polymer film thickness can be varied by changes in both the polymer composition and the layer‐on‐layer regime. Capillaries made with methacrylic acid as the functional monomer could not separate the Z‐Asp‐OH racemate, due to weak interactions between the MIP‐PLOT material and the target analytes. In contrast, MIP‐PLOT capillaries prepared with 4‐vinylpyridine as the functional monomer resulted in increased ionic interactions with the target analytes. Separation of the enantiomers could be enhanced when a peak zone sharpening effect was exploited through the use of specific BGE compositions and by taking advantage of eigenpeak phenomena. In this manner, the position of a sharpening zone and the peak shape of the sample analytes could be fine‐tuned, so that when the sharpening zone and the target analyte co‐migrated the separation of the Z‐l‐Asp‐OH enantiomer from its d‐enantiomer in a racemic mixture could be achieved under overloading conditions.
Improved Performance of Polymer Electrolyte Membrane Fuel Cells with Modified Microporous Layer Structures
Authors: Alrwashdeh Saad S. , Manke Ingo , Markötter Henning , Haußmann Jan , Arlt Tobias , Hilger André , Al‐Falahat A. M. , Klages Merle , Scholta Joachim , Banhart John
Published: February 2017

A possible method to improve membrane humidity conditions in polymer electrolyte membrane fuel cells and, therefore, the cell performance is the optimization of microporous layer (MPL) structures. In this work, water transport in modified MPL materials in polymer electrolyte membrane fuel cells (PEMFCs) was investigated by in operando synchrotron X‐ray tomography. Three different types of MPLs are compared: A reference standard MPL material, an MPL material with a special wavy structure, and an MPL with randomly distributed holes. We found a strong impact of the modified MPL structure on the water distribution at operating temperatures of 40 and 55 °C and an increase of cell performance up to 14 % compared to the reference cell. We assume the water distribution at the membrane to be responsible for the performance increase and provide a detailed discussion.
Social Cognition and Emotional Functioning in Patients with Binge Eating Disorder
Authors: Aloi Matteo , Rania Marianna , Caroleo Mariarita , De Fazio Pasquale , Segura‐García Cristina
Published: February 2017

Objective

This study aims to evaluate the theory of mind ability in a sample of obese patients with and without binge eating disorder (BED) and to explore the correlations between emotional and clinical assessments.

Methods

Overall, 20 non‐BED, 16 under‐threshold BED and 22 BED obese patients completed a battery of tests assessing social cognition and eating disorder psychopathology.

Results

Binge eating disorder, non‐BED and under‐threshold‐BED obese patients showed similar ability to recognise others' emotions, but BED obese patients exhibited a deficit in recognising their own emotions as demonstrated by more impaired levels of alexithymia and interoceptive awareness and were more depressed. High positive correlations were evident between binging, depression, interoceptive awareness and alexithymia.

Conclusions

Binge eating disorder patients have a comparable ability to understand others' emotions but a more impaired capacity to understand and code their own emotions compared with non‐BED obese patients. This impairment is highly correlated with depression. Copyright © 2017 John Wiley & Sons, Ltd and Eating Disorders Association.
Viscous regularization of the full set of nonequilibrium‐diffusion Grey Radiation‐Hydrodynamic equations
Authors: Delchini Marc O. , Ragusa Jean C. , Ferguson Jim
Published: February 2017

A viscous regularization technique, based on the local entropy residual, was proposed by Delchini et al. (2015) to stabilize the nonequilibrium‐diffusion Grey Radiation‐Hydrodynamic equations using an artificial viscosity technique. This viscous regularization is modulated by the local entropy production and is consistent with the entropy minimum principle. However, Delchini et al. (2015) only based their work on the hyperbolic parts of the Grey Radiation‐Hydrodynamic equations and thus omitted the relaxation and diffusion terms present in the material energy and radiation energy equations. Here, we extend the theoretical grounds for the method and derive an entropy minimum principle for the full set of nonequilibrium‐diffusion Grey Radiation‐Hydrodynamic equations. This further strengthens the applicability of the entropy viscosity method as a stabilization technique for radiation‐hydrodynamic shock simulations. Radiative shock calculations using constant and temperature‐dependent opacities are compared against semi‐analytical reference solutions, and we present a procedure to perform spatial convergence studies of such simulations. Copyright © 2017 John Wiley & Sons, Ltd.
Sensitivity of seismic response for monitoring storage in a low porosity reservoir of the St Lawrence Lowlands, Québec, Canada: Part 2 – Synthetic modeling
Authors: Perozzi Lorenzo , Giroux Bernard , Schmitt Douglas R. , Gloaguen Erwan
Published: February 2017

Deployment of carbon capture and storage on a large scale poses many challenges. One is the availability of reservoirs with suitable characteristics (high porosity and permeability, matched large emitters, etc.). Such a challenge might lead to the selection of reservoirs with relatively low porosity. In those environments, the rock matrix is often stiff and questions arise regarding the capabilities of seismic methods to monitor injection. An illustrative modeling of seismic reflectivities within a hypothetical geological formation with physical properties equal to that of the low‐porosity reservoir in the St. Lawrence Lowlands sedimentary basin, suggests that a liquid‐water contact is a potentially good seismic reflector despite a priori unfavorable conditions. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd.
Preparation and characterization of a silk fibroin/calcium sulfate bone cement
Authors: Zhang Fuzhan , Zhu Hai , Wang Genlin , Xie Jile , Tao Yunxia , Xia Wei , Yang Huilin
Published: February 2017

This study aimed to prepare and characterize a silk fibroin/calcium sulfate (SF/CS) bone cement. SF solutions of the following concentrations 3, 4.5, 6, 7.5, and 9 g/L were used to prepare bone cement samples with SF‐to‐CS ratios of 0.35, 0.40, 0.45, 0.50, and 0.55 mL of SF solutions (or water as control) per g of CS. Compressive strength, setting time, degradation when immersed in phosphate‐buffered saline, X‐ray diffraction, Fourier infrared spectroscopy, and scanning electron microscopy were used to characterize the SF/CS bone cement. Biocompatibility was determined using rat bone mesenchymal stem cells (rBMSCs) and the 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide assay. The optimal bone cement was obtained with 0.4 mL of 6 g/L SF solution per g of α‐hemihydrate CS powder. Compared with CS bone cement, compressive strength of SF/CS bone cement was 19.7% higher (p = 0.003). Samples prepared with SF had less degradation in phosphate‐buffered saline than the ones prepared with deionized water. Using SF solution as the solidifying liquid increases the initial setting and final setting time of CS compared with deionized water. Using extracts from SF/CS bone cement, all cell relative proliferation rates were >100%, showing no cytotoxicity for any sample. In conclusion, using the 6 g/L SF solution at 0.40 mL/g of CS increased the cement compressive strength. SF solution added to CS achieved a bone cement with increased durability compared with CS bone cement. The SF/CS cement had no cytotoxicity on rBMSCs. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 512–519, 2018.
ForConX: A forcefield conversion tool based on XML
Authors: Lesch Volker , Diddens Diddo , Bernardes Carlos E. S. , Golub Benjamin , Dequidt Alain , Zeindlhofer Veronika , Sega Marcello , Schröder Christian
Published: February 2017

The force field conversion from one MD program to another one is exhausting and error‐prone. Although single conversion tools from one MD program to another exist not every combination and both directions of conversion are available for the favorite MD programs Amber, Charmm, Dl‐Poly, Gromacs, and Lammps. We present here a general tool for the force field conversion on the basis of an XML document. The force field is converted to and from this XML structure facilitating the implementation of new MD programs for the conversion. Furthermore, the XML structure is human readable and can be manipulated before continuing the conversion. We report, as testcases, the conversions of topologies for acetonitrile, dimethylformamide, and 1‐ethyl‐3‐methylimidazolium trifluoromethanesulfonate comprising also Urey–Bradley and Ryckaert–Bellemans potentials. © 2017 Wiley Periodicals, Inc.
Gating energetics of a voltage‐dependent K+ channel pore domain
Authors: Starek Greg , Freites J. Alfredo , Bernèche Simon , Tobias Douglas J.
Published: February 2017

We used targeted molecular dynamics, informed by experimentally determined inter‐atomic distances defining the pore region of open and closed states of the KvAP voltage‐gated potassium channel, to generate a gating pathway of the pore domain in the absence of the voltage‐sensing domains. We then performed umbrella sampling simulations along this pathway to calculate a potential of mean force that describes the free energy landscape connecting the closed and open conformations of the pore domain. The resulting energetic landscape displays three minima, corresponding to stable open, closed, and intermediate conformations with roughly similar stabilities. We found that the extent of hydration of the interior of the pore domain could influence the free energy landscape for pore opening/closing. © 2017 Wiley Periodicals, Inc.
Accurate, robust, and reliable calculations of Poisson–Boltzmann binding energies
Authors: Nguyen Duc D. , Wang Bao , Wei Guo‐Wei
Published: February 2017

Poisson–Boltzmann (PB) model is one of the most popular implicit solvent models in biophysical modeling and computation. The ability of providing accurate and reliable PB estimation of electrostatic solvation free energy,
, and binding free energy,
, is important to computational biophysics and biochemistry. In this work, we investigate the grid dependence of our PB solver (MIBPB) with solvent excluded surfaces for estimating both electrostatic solvation free energies and electrostatic binding free energies. It is found that the relative absolute error of
obtained at the grid spacing of 1.0 Å compared to
at 0.2 Å averaged over 153 molecules is less than 0.2%. Our results indicate that the use of grid spacing 0.6 Å ensures accuracy and reliability in
calculation. In fact, the grid spacing of 1.1 Å appears to deliver adequate accuracy for high throughput screening. © 2017 Wiley Periodicals, Inc.
The Analysis of Electronic Structures, NBO, EDA, and QTAIM of trans‐(H3P)2(η2‐BH4)W(≡C‐para‐C6H4X)(CO) Complexes
Authors: Shamami Mostafa Khademi , Ghiasi Reza , Asli Maryam Daghighi
Published: February 2017

In the present research, the impact of substitution on the dipole moment, electronic structure, and frontier orbital energy in trans‐(H3P)2(η2‐BH4
)W(≡C‐para‐C6H4X)(CO) complexes (X = H, F, SiH3
, CN, NO2
, SiMe3
, CMe3
, NH2
, NMe2
) was studied with mpw1pw91 quantum chemical computations. The nature of the chemical bond between the trans‐[Cl(η2‐BH4
)(H3P)
2W]− and [C‐para‐C6H4X]+ fragments was demonstrated through energy decomposition analysis (EDA). The percentage composition in terms of the specified groups of frontier orbitals was examined for these complexes to investigate the feature in metal–ligand bonds. Quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis were applied to elucidate these complexes’ metal–ligand bonds.
Intravoxel incoherent motion diffusion‐weighted imaging of bone marrow in patients with acute myeloid leukemia: a pilot study of prognostic value
Authors: Niu Jinliang , Li Wenjin , Wang Hongwei , Wu Wenqi , Gong Tong , Huang Ning , Wang Jun , Qi Yan
Published: February 2017

Purpose

To investigate the value of intravoxel incoherent motion (IVIM) parameters in evaluation of prognosis in patients with acute myeloid leukemia (AML) before treatment.

Materials and Methods

Fifty‐three patients before standard chemotherapy underwent MRI scans at 1.5 Tesla using conventional diffusion weighted imaging (DWI) and IVIM (b = 0, 10, 25, 50, 100, 200, 400, 600, 800, 1000, 1200 s/mm2) in the sagittal plane covering the lumbar bone marrow. The IVIM parameters (perfusion fraction [f], molecular diffusion coefficient [D], and perfusion‐related D [D*] and apparent diffusion coefficient (ADC) were extracted from the bone marrow images. All patients were divided into complete remission (CR) and nonremission (NR) group according to the treatment response.

Results

All patients underwent the first remission induction chemotherapy, with 33 patients achieved CR and 20 patients achieved NR. The ADC values were not significant different between the two groups (P = 0.118). However, D value of CR group was significantly higher (P = 0.010), and f value of CR group was significantly lower (P = 0.021) than those of NR group. D* values had no significant differences between the two groups (P = 0.955). The D and f values were significant prognostic factors of AML after controlling for potential confounding factors (age, gender and smoking). Using receiver operator characteristic analysis, the area under the curve of D and f were 0.759 and 0.666, respectively, in evaluating prognosis of AML before treatment.

Conclusion

There were significant differences in IVIM parameters between CR and NR patients of AML before treatment, and the D and f could play a potential role in prognosticating patients with AML.

Level of Evidence: 1

Technical Efficacy: Stage 2

J. MAGN. RESON. IMAGING 2017;46:476–482
Yield and cold storage of Trichoderma conidia is influenced by substrate pH and storage temperature
Authors: Steyaert Johanna M. , Chomic Anastasia , Nieto‐Jacobo Maria , Mendoza‐Mendoza Artemio , Hay Amanda J. , Braithwaite Mark , Stewart Alison
Published: February 2017

In this study we examined the influence of the ambient pH during morphogenesis on conidial yield of Trichoderma sp. “atroviride B” LU132 and T. hamatum LU593 and storage at low temperatures. The ambient pH of the growth media had a dramatic influence on the level of Trichoderma conidiation and this was dependent on the strain and growth media. On malt‐extract agar, LU593 yield decreased with increasing pH (3–6), whereas yield increased with increasing pH for LU132. During solid substrate production the reverse was true for LU132 whereby yield decreased with increasing pH. The germination potential of the conidia decreased significantly over time in cold storage and the rate of decline was a factor of the strain, pH during morphogenesis, growth media, and storage temperature.
Violaxanthin cycle kinetics analysed in vivo with resonance Raman spectroscopy
Authors: Koch Matthias , Zagermann Serge , Kniggendorf Ann‐Kathrin , Meinhardt‐Wollweber Merve , Roth Bernhard
Published: February 2017

Measuring the kinetics of the violaxanthin cycle imposes an experimental challenge. Traditionally, carotenoid analysis was carried out laboriously with high‐performance liquid chromatography. In this work, we present the first in vivo approach to directly measure the kinetics of the violaxanthin cycle, using resonance Raman spectroscopy in combination with baseline correction and principal component analysis. Applying the new approach allows measuring thousands of data points as opposed to the few possible with chemical analysis over the course of a violaxanthin cycle kinetics experiment. In vivo analysis of the violaxanthin cycle is necessary to fully understand adaptation kinetics to varying light conditions, the knowledge of which is especially important for assessing the stress tolerance of plants in the wake of the increasing climate change. Three experiments on the green alga Dunaliella salina were performed, featuring both the light‐to‐dark and dark‐to‐light transitions response of the algae. Copyright © 2017 John Wiley & Sons, Ltd.