bluuebunny/crossref_metadata_2025 huggingface dataset:
Cancer survival in Cixian of China, 2003–2013: a population‐based study
Authors: Li Dongfang , Li Daojuan , Song Guohui , Liang Di , Chen Chao , Zhang Yachen , Gao Zhaoyu , He Yutong
Published: March 2018

Cixian is one of the high‐risk areas for upper gastrointestinal cancer in China and the world. From 2005, comprehensive population‐based screening for upper gastrointestinal cancers has been conducted in Cixian. The aim of this study was to investigate population‐based cancer survival from 2003 to 2013 and to explore the effect of screening on upper gastrointestinal cancer survival in Cixian. Observed survival was estimated using the life table method. The expected survival from the general population was calculated using all‐cause mortality data from the population of Cixian with the EdererII method. Cixian cancer registry, with a total coverage of 6.88 million person years, recorded 19,628 cancer patients diagnosed during 2003–2013. In Cixian, from 2003 to 2013, there were 19,628 newly cancer cases and 13,984 cancer deaths, with an incidence rate of 285.37/100,000 and mortality rate of 203.31/100,000. The overall five‐year relative cancer survival for patients diagnosed in Cixian in 2003–2013 was 22.53%. The relative survival for all cancers combined in Cixian had an overall upward trend from 2003 to 2013. Among upper gastrointestinal cancer in Cixian, the five‐year relative survival for cardia gastric cancer was highest at 30.42%, followed by oesophageal cancer at 25.37% and noncardia gastric cancer at 18.93%. In 2013, the five‐year relative survival for oesophageal cancer, cardia gastric cancer, and noncardia gastric cancer patients aged 45–69 years was 39.97% (95% CI: 34.52–45.43%), 51.74% (95% CI: 42.09–60.86%), and 37.43% (95% CI: 26.93–48.17%), respectively, the absolute values increasing 14.11%, 16.71%, and 14.92% compared with that in 2003. There is an increasing trend in overall survival for upper gastrointestinal cancer with early screening and treatment of cancer in Cixian.
Population‐based differences in the outcome and presentation of lung cancer patients based upon racial, histologic, and economic factors in all lung patients and those with metastatic disease
Authors: Varlotto John Michael , Voland Richard , McKie Kerrie , Flickinger John C. , DeCamp Malcolm M. , Maddox Debra , Rava Paul , Fitzgerald Thomas J. , Graeber Geoffrey , Rassaei Negar , Oliveira Paulo , Ali Suhail , Belani Chandra , Glanzman Jonathan , Wakelee Heather A. , Patel Manali , Baima Jennifer , Zhang Jianying , Walsh William
Published: March 2018

To investigate the interrelation between economic, marital, and known histopathologic/therapeutic prognostic factors in presentation and survival of patients with lung cancer in nine different ethnic groups. A retrospective review of the SEER database was conducted through the years 2007–2012. Population differences were assessed via chi‐square testing. Multivariable analyses (MVA) were used to detect overall survival (OS) differences in the total population (TP, N = 153,027) and for those patients presenting with Stage IV (N = 70,968). Compared to Whites, Blacks were more likely to present with younger age, male sex, lower income, no insurance, single/widowed partnership, less squamous cell carcinomas, and advanced stage; and experience less definitive surgery, lower OS, and lung cancer‐specific (LCSS) survival. White Hispanics presented with younger age, higher income, lower rates of insurance, single/widowed partnership status, advanced stage, more adenocarcinomas, and lower rates of definitive surgery, but no difference in OS and LCSS than Whites. In the TP and Stage IV populations, MVAs revealed that OS was better or equivalent to Whites for all other ethnic groups and was positively associated with insurance, marriage, and higher income. Blacks presented with more advanced disease and were more likely to succumb to lung cancer, but when adjusted for prognostic factors, they had a better OS in the TP compared to Whites. Disparities in income, marital status, and insurance rather than race affect OS of patients with lung cancer. Because of their presentation with advanced disease, Black and Hispanics are likely to have increased benefit from lung cancer screening.
Exclusive and inclusive protest in Europe: Investigating values, support for democracy, and life conditions
Authors: Morselli Davide , Passini Stefano
Published: March 2018

Dissatisfaction with the economic situation and perceived governmental inefficacy in regard to the financial crisis has spawned a widespread feeling of political distrust across Europe. This distrust has been translated into protests against institutional authority that aims at either expanding democratic procedures or supporting xenophobic and populist measures. This research uses European Social Survey data to compare exclusive and inclusive protesters with regard to a number of personal and social values, attitudes toward democratic principles, and different life conditions and socio‐economic resources. It also considers contextual factors to investigate how different protesters' profiles are interwoven with socio‐economic conditions. The results of a multilevel latent profile analysis show that exclusive and inclusive protesters, despite sharing similar levels of political distrust, differ with regard to key values and political attitudes, and these differences are related to individual and collective living conditions. We argue that unfavourable living conditions play a non‐negligible role in increasing the probability of easy (i.e., populist) scapegoat political attitudes. Further support for this hypothesis is provided by the cross‐country analysis, which shows that higher levels of exclusive protest are present in countries that were characterized by worse living conditions before the economic crisis.
Photochemical Mechanism of an Atypical Algal Phytochrome
Authors: Choudry Uzma , Heyes Derren J. , Hardman Samantha J. O. , Sakuma Michiyo , Sazanovich Igor V. , Woodhouse Joyce , De La Mora Eugenio , Pedersen Martin N. , Wulff Michael , Weik Martin , Schirò Giorgio , Scrutton Nigel S.
Published: March 2018

Phytochromes are bilin‐containing photoreceptors that are typically sensitive to the red/far‐red region of the visible spectrum. Recently, phytochromes from certain eukaryotic algae have become attractive targets for optogenetic applications because of their unique ability to respond to multiple wavelengths of light. Herein, a combination of time‐resolved spectroscopy and structural approaches across picosecond to second timescales have been used to map photochemical mechanisms and structural changes in this atypical group of phytochromes. The photochemistry of an orange/far‐red light‐sensitive algal phytochrome from Dolihomastix tenuilepis has been investigated by using a combination of visible, IR and X‐ray scattering probes. The entire photocycle, correlated with accompanying structural changes in the cofactor/protein, are reported. This study identifies a complex photocycle for this atypical phytochrome. It also highlights a need to combine outcomes from a range of biophysical approaches to unravel complex photochemical and macromolecular processes in multi‐domain photoreceptor proteins that are the basis of biological light‐mediated signalling.
Impact of pacemaker mode in patients with atrioventricular conduction disturbance after trans‐catheter aortic valve implantation
Authors: Takahashi Masao , Badenco Nicolas , Monteau Jacques , Gandjbakhch Estelle , Extramiana Fabrice , Urena Marina , Karam Nicole , Marijon Eloi , Algalarrondo Vincent , Teiger Emmanuel , Lellouche Nicolas
Published: March 2018

Objectives

This study aimed to assess the impact of pacemaker mode programming on clinical outcomes in patients with high‐degree atrioventricular conduction disturbance (AVCD) after transcatheter aortic valve implantation (TAVI).

Background

Although high‐degree AVCD after TAVI can receive pacemaker, recovery of the AVCD is often observed. Specific pacemaker algorithms (AAI‐DDD mode switch) are available which favor spontaneous atrioventricular conduction.

Methods

Of 1,621 consecutive multi‐center TAVI patients, 269 (16.4%) received pacemaker. We retrospectively included 91 patients with persistent high‐degree AVCD at hospital discharge. Pacemaker dependency was defined as absence, inadequate intrinsic ventricular rhythm, or ventricular pacing time > 95% on pacemaker interrogation during follow‐up. Comparison of heart failure hospitalization and death between conventional DDD (cDDD) and other modes was examined (AAI‐DDD and VVI).

Results

During a mean follow‐up duration of 13 months, the pacemaker dependency rate was 52.8%. Patients with cDDD mode (N = 36: 40.0%) had significantly more pacemaker dependency. Multivariate analysis showed that cDDD mode was independently associated with pacemaker dependency (odds ratio = 3.63, P = 0.03). Moreover, cDDD patients had a significant higher incidence of heart failure hospitalization (Hospitalization: cDDD vs. others = 45.4% vs. 18.2%, P = 0.03) and had a higher incidence of mortality (Death: cDDD vs. the others = 27.0% vs. 4.4%, P = 0.06).

Conclusions

Up to half of patients implanted for high‐degree AVCD after TAVI had conduction recovery. Patients with cDDD programming at hospital discharge had more pacemaker dependency and a worse cardiac prognosis. Thus, pacemaker mode should be systematically set to promote spontaneous atrioventricular conduction in patients with pacemaker implantation after TAVI.
Boosting the Catalytic Performance of Organic Salts for the Fast and Selective Synthesis of α‐Alkylidene Cyclic Carbonates from Carbon Dioxide and Propargylic Alcohols
Authors: Grignard Bruno , Ngassamtounzoua Charlène , Gennen Sandro , Gilbert Bernard , Méreau Raphaël , Jerome Christine , Tassaing Thierry , Detrembleur Christophe
Published: March 2018

The synthesis of α‐alkylidene cyclic carbonates (αCCs) by the carboxylative coupling of CO2 with propargylic alcohols is receiving increasing interest but requires the use of catalysts that are most often added in large quantities and/or lack selectivity. Herein, we describe the fine‐tuning of the structure of organocatalysts of the ammonium‐type that enables us to identify the important structural parameters that dictate their catalytic performance. Tetrabutylammonium oxalate was revealed to be one of the most attractive organocatalysts with a remarkably fast, complete and selective production of αCCs at a low catalyst loading (2.5 mol %) under solvent‐free conditions. This study opens new avenues for the facile and selective synthesis of libraries of αCCs from CO2 and propargylic alcohol by using simple organocatalysts.
Ru@PsIL‐Catalyzed Synthesis of N‐Formamides and Benzimidazole by using Carbon Dioxide and Dimethylamine Borane
Authors: Saptal Vitthal B. , Sasaki Takehiko , Bhanage Bhalchandra M.
Published: March 2018

This work reports the synthesis and characterization of ruthenium nanoparticles (Ru NPs) supported on polymeric ionic liquids (PILs). This catalyst shows high catalytic activity towards the N‐formylation of amines and synthesis of benzimidazoles from 1,2‐diamines and carbon dioxide (CO2) by reductive dehydrogenation of dimethylamine borane. This methodology shows excellent functional group tolerance with broad substrate scope towards the synthesis of N‐formamides and benzimidazoles. Interestingly, this protocol also provides the tandem reduction of 2‐nitroamines and CO2 to synthesize benzimidazoles. It was proposed that the ionic liquid phase of the polymer plays pivotal roles such as assisting the stabilization of nanoparticles electrostatically, providing an ionic environment, and controlling the easy access of the substrates/reagents to the active sites. The developed methodology utilizes CO2 as a C1 source and water/ethanol as a green solvent system. Additionally, the catalyst was found to be recyclable in nature and shows five consecutive recycling runs without significant loss in its activity.
Racemization of Secondary‐Amine‐Containing Natural Products Using Heterogeneous Metal Catalysts
Authors: Kovács Barbara , Savela Risto , Honkala Karoliina , Murzin Dmitry Yu. , Forró Enikő , Fülöp Ferenc , Leino Reko
Published: March 2018

Heterogeneously catalyzed racemization reactions of the secondary amines (S)‐1‐methyl‐6,7‐dimethoxy‐1,2,3,4‐tetrahydroisoquinoline (salsolidine) and (S)‐1‐methyl‐1,2,3,4‐tetrahydro‐ß‐carboline were investigated using Pd, Pt, and Ir on carbon or Al2O3 supports. A comparison of kinetics and deactivation on selected platinum and iridium catalysts was performed. Furthermore, the relative stabilities of (S)‐salsolidine and the corresponding imine on Pt(1 1 1) and Ir(1 1 1) surfaces were analyzed by density functional theory calculations. The racemization was faster on platinum and took place without detectable byproduct formation. Iridium, however, proved reusable and, in contrast to the platinum catalyst, deactivation at low catalyst concentration was not observed. Also, the physisorption of (S)‐salsolidine and the imine was stronger on platinum than on iridium.
Soft Template‐Directed Reactions: One‐Pot Synthetic Route for Bimetallic Core–Satellite–Shell Structured Electrocatalytic Nanospheres
Authors: He Yue , Wang Qin , Wei Zhen , Xu Ling , Wang Zenglin , Huang Hao , Jiao Huan
Published: March 2018

A one‐pot synthesis strategy, which retards nanoparticle (NP) agglomeration in the initiation of reaction and prevents the combination of the core and small species, is reported. In the present study, we synthesize bimetallic core–shell structures of single Au cores and satellites‐like Pt NPs. The core was generated by using HAuCl4; thus, providing the unique conductive ability for electrons. The entire evolution process of Pt NPs during the whole reaction was confined within the SiO2 nanospheres. Through strong electrostatic attraction, the Pt NPs in a tight H3O+ packing accordingly increased the adsorbed hydrogen (Had) rate. The comparative investigation of electrocatalytic activities of the products and commercial Pt/C‐20 % in the hydrogen evolution reaction (HER) revealed that the Au@SiO2‐Pt, with a strong metal interaction effect in the electrolyte, exhibits a low Tafel slope of 52 mV dec−1, with its catalytic activity being maintained for at least 10 h. Impressively, it also demonstrates a high turnover frequency (TOF) value of 0.11 s−1.
Selective Glucose‐to‐Fructose Isomerization over Modified Zirconium UiO‐66 in Alcohol Media
Authors: de Mello Matheus Dorneles , Tsapatsis Michael
Published: March 2018

Modulated zirconium metal–organic framework UiO‐66 is shown to catalyze the isomerization of d‐glucose to d‐fructose in alcohol media. Fructose selectivity can change depending on solvent choice. We hypothesize that the difference in selectivity is related to a combined effect of adsorption and solvation effects, which may lead to the high formation of alkylglucosides in depletion of fructose if methanol or ethanol are used. A fructose selectivity of 72 % at 82 % glucose conversion in 1‐PrOH was achieved. The reaction mechanism was investigated using nuclear magnetic resonance spectroscopy. We demonstrate that UiO‐66 isomerizes glucose to fructose through an intramolecular C2–C1 hydride transfer. In addition, we show that modulated UiO‐66 is a highly active and stable catalyst at the reaction conditions, showing great potential for other sugar reactions.
Preparation of γ‐Fe2O3 Catalysts and their deNOx Performance: Effects of Precipitation Conditions
Authors: Wang Dong , Yang Qilei , Li Xiansheng , Peng Yue , Li Bing , Si Wenzhe , Lu Chunmei , Gan Lina
Published: March 2018

Magnetic γ‐Fe2O3 catalysts were prepared by microwave‐assisted coprecipitation utilizing the direct‐titrate and back‐titrate precipitation technique with different precipitants, namely, (NH4)2CO3, NaOH, Na2CO3, and NH4OH, which were evaluated in the selective catalytic reduction of NOx with NH3. The optimum γ‐Fe2O3 catalyst preparation method was direct titration with NH4OH as the precipitant, which exhibits high deNOx efficiency. This direct titration was effective to maintain the proper crystallization degree of γ‐Fe2O3, improve the pore structure, and suppress the formation of α‐Fe2O3 phase, being advantageous to get tiny and uniform discrete γ‐Fe2O3 particles with high activity in selective catalytic reduction. NH4+‐based precipitants in direct titration leads to an increase of the surface O/Fe atom ratio, and more lattice oxygen sites are exposed to the crystal surface.
Modification of a Mercury Electrode with Different Thioalkanes: Structure‐Sensitive Bovine Serum Albumin Analysis
Authors: Ostatná Veronika , Černocká Hana , Hasoň Stanislav , Paleček Emil
Published: March 2018

Chronopotentiometric stripping (CPS) in combination with mercury electrodes is convenient for structure‐sensitive protein analysis. By using this method, we tested the discrimination between native and denatured bovine serum albumin (BSA) at various alkanethiol self‐assembled monolayers (SAMs). Our results showed that alkanethiol SAMs with different headgroups or different chain lengths had different influences on the efficiency of CPS in protecting BSA from the electric field‐induced denaturation. SAMs with longer alkanethiol chain lengths were more efficient in protecting BSA from denaturation at negatively charged electrode surface than those formed by short‐chain alkanethiols. Short alkanethiol SAMs could be prepared by co‐adsorption with the protein on the electrode surface, which was not possible with the long‐chain alkanethiols. CPS data were supported by impedance analysis. We believe that our work will be useful in the electrochemical sensing of nucleic acid‐protein and protein‐protein binding.
Template‐Free Synthesis of Hierarchical SSZ‐13 Microspheres with High MTO Catalytic Activity
Authors: Bing Liancheng , Tian Aixiu , Wang Fang , Yi Kaifeng , Sun Xingyuan , Wang Guangjian
Published: March 2018

Hierarchical SSZ‐13 microspheres, with abundant mesoporous channels, have been successfully synthesized by addition of calcined SSZ‐13 crystals in the starting gel in the absence of any organic templates. This strategy not only remarkably reduces the production cost and environmental pollution, but also significantly decreases the crystallization time as well as evidently reducing the zeolite crystal sizes in many cases. The synthesized sample was characterized by XRD, BET, ICP, SEM, TEM, TG, and NH3‐TPD, which indicates that the organic template free synthesized SSZ‐13 exhibits high crystallinity, textural properties, and acidity. Moreover, the synthesized hierarchical SSZ‐13 catalyst shows outstanding performance in the methanol‐to‐olefin (MTO) reaction, with slightly higher ethylene plus propylene selectivity and prolonged catalyst lifetime as compared to the templated SSZ‐13 catalyst.
2D and 3D Coordination Networks of Polynuclear Bismuth Oxido/Hydroxido Sulfonato Clusters from Low Temperature Solid‐State Metathesis Reactions
Authors: Senevirathna Dimuthu C. , Werrett Melissa V. , Blair Victoria L. , Mehring Michael , Andrews Philip C.
Published: March 2018

Solid‐state metathesis (SSM) reactions between Bi(NO3)3⋅5 H2O and potassium benzene‐1,2‐disulfonate (=1,2‐BDSK2), sodium benzene‐1,3‐disulfonate (=1,3‐BDSNa2) allows access to the first 2D, {[Bi6O4(OH)4(1–2BDS)2(NO3)2⋅4 H2O]⋅11 H2O}∞ and {[Bi22O24(OH)6(1,3‐BDS)6⋅12 DMSO]⋅3 DMSO⋅4 H2O}∞, and 3D, {[Bi6O4(OH)4(1,3‐BDS)3⋅4 H2O]⋅6 H2O}∞, polymeric networks of sulfonato encapsulated polynuclear bismuth oxido/hydroxido clusters.
Cyclic Seleninate Esters, Spirodioxyselenuranes and Related Compounds: New Classes of Biological Antioxidants That Emulate Glutathione Peroxidase
Authors: Sands Kai N. , Tuck Tyler A. , Back Thomas G.
Published: March 2018

Selenium compounds play an important role in redox homeostasis in living organisms. One of their major functions is to suppress the harmful effects of hydrogen peroxide, hydroperoxides and downstream reactive oxygen species that lead to oxidative stress, which has in turn been implicated in many diseases and degenerative conditions. The glutathione peroxidase (GPx) family of selenoenzymes plays a key protective role by catalyzing the reduction of peroxides with glutathione. Considerable effort has been expended toward the discovery of small‐molecule selenium compounds that mimic GPx. To date, ebselen has been the most widely studied such compound, including in several clinical trials. However, despite its proven lack of significant toxicity, it displays only moderate catalytic activity and very poor aqueous solubility. The cyclic seleninate esters and spirodioxyselenuranes have recently been investigated as potential next generation GPx mimetics, along with structurally related selenenate esters, diazaselenuranes and pincer selenuranes. Their catalytic activities, redox mechanisms and structure–activity relationships are described in this Review, along with a description and discussion of the relative merits of assays for measuring their activities.
Gold(I)‐Catalysed Hydroarylation of 1,3‐Disubstituted Allenes with Efficient Axial‐to‐Point Chirality Transfer
Authors: Sutherland Daniel R. , Kinsman Luke , Angiolini Stuart M. , Rosair Georgina M. , Lee Ai‐Lan
Published: March 2018

Hydroarylation of enantioenriched 1,3‐disubstituted allenes has the potential to proceed with axial‐to‐point chirality transfer to yield enantioenriched allylated (hetero)aryl compounds. However, the gold‐catalysed intermolecular reaction was previously reported to occur with no chirality transfer owing to competing allene racemisation. Herein, we describe the development of the first intermolecular hydroarylations of allenes to proceed with efficient chirality transfer and summarise some of the key criteria for achieving high regio‐ and stereoselectivity.
Recent Trends in Metallopolymer Design: Redox‐Controlled Surfaces, Porous Membranes, and Switchable Optical Materials Using Ferrocene‐Containing Polymers
Authors: Gallei Markus , Rüttiger Christian
Published: March 2018

Metallopolymers with metal functionalities are a unique class of functional materials. Their redox‐mediated optoelectronic and catalytic switching capabilities, their outstanding structure formation and separation capabilities have been reported recently. Within this Minireview, the scope and limitations of intriguing ferrocene‐containing systems will be discussed. In the first section recent advances in metallopolymer design will be given leading to a plethora of novel metallopolymer architectures. Discussed synthetic pathways comprise controlled and living polymerization protocols as well as surface immobilization strategies. In the following sections, we focus on recent advances and new applications for side‐chain and main‐chain ferrocene‐containing polymers as (i) remote‐switchable materials, (ii) smart surfaces, (iii) redox‐responsive membranes, and some recent trends in (iv) photonic structures and (v) other optical applications.
Synthesis, Structures, and Optical Properties of Azahelicene Derivatives and Unexpected Formation of Azahepta[8]circulenes
Authors: Chen Fengkun , Tanaka Takayuki , Mori Tadashi , Osuka Atsuhiro
Published: March 2018

Polycyclic heteroaromatic compounds including pyrrole units are promising functional scaffolds owing to their electron‐rich nature, bright fluorescence, and applicability to anion recognition at the pyrrolic hydrogen atom. We report herein the effective synthesis of pseudo‐aza[5]helicene and aza[7]helicene derivatives, and unexpected formation of azahepta[8]circulenes by oxidative fusion reactions. By choosing reaction conditions and peripheral substituents attached at the terminal indole moieties, we obtained aza[7]helicenes 10 a–c and azahepta[8]circulenes 11 a,c selectively in moderate to good yields. Their solid‐state structures have been revealed by X‐ray diffraction analysis. UV/Vis absorption, emission, and cyclic voltammetry of these compounds were studied in comparison with those of previously reported tetraaza[8]circulene (TA8C), a symmetric and planar molecule. Furthermore, the enantiomeric separation of dimethyl‐substituted aza[7]helicene 10 b was achieved, and the racemization kinetics have been elucidated both theoretically and experimentally. This work illustrates a wealth of advantages of pyrrole incorporation into the polycyclic aromatic scaffolds in terms of synthetic aspects, structural variation, and optical tuning.
Computational Screening of New Orthogonal Metal‐Free Dipolar Cycloadditions of Mesomeric Betaines
Authors: de la Concepción Juan García , Ávalos Martín , Cintas Pedro , Jiménez José Luis
Published: March 2018

Computational strategies have gained increasing impact in the de novo design of large molecular sets targeted to a desired application. Herein, DFT‐assisted theoretical analyses of cycloadditions, involving mesoionic dipoles and strained cycloalkynes, unveil a series of unexplored mesomeric betaines as vastly superior candidates for orthogonal applications. Thus, isosydnones; thiosydnones; and a six‐membered homolog, 6‐oxo‐1,3‐oxazinium‐4‐olate, exhibit enhanced reactivity with respect to sydnone, which is the archetypal mesoionic ring employed so far in orthogonal chemistry. These compounds were found by assessing energy barriers and transition structures, which are largely governed by electron fluxes from dipolarophile to dipole and noncovalent interactions. Charge‐transfer analysis also accounts for previous experimental and theoretical results gathered in the literature, and provides a rationale for further substitution variations. The above naked dipoles release only CO2 as a byproduct through retro‐Diels–Alder of the resulting cycloadducts. These results should invite practitioners to look at such underestimated dipoles and could also help to minimize the number of experiments.
Assembly of Tetrahydropyran Derivatives from Aldehydes, Allylboronates, and Syngas by Asymmetric Relay Catalytic Cascade Reaction
Authors: Li Lu‐Lu , Su Yong‐Liang , Han Zhi‐Yong , Gong Liu‐Zhu
Published: March 2018

An efficient synthesis of highly enantio‐enriched tetrahydropyrans from readily available aldehydes, allylboronates, and syngas has been established by multiply relay catalysis of rhodium and chiral phosphoric acid. The cascade reaction integrates the asymmetric allylboration of aldehydes and alkene hydroformylation, providing a structurally diverse range of products with different workup procedures. The concise synthesis of key chiral building blocks to access herboxidiene and leucascandrolide A demonstrates the high synthetic utility of this method. The cascade reaction employing alkenes to replace aldehydes was also successful.
Catalytic C−C Bond Formation Using a Simple Nickel Precatalyst System: Base‐ and Activator‐Free Direct C‐Allylation by Alcohols and Amines
Authors: Sweeney Joseph B. , Ball Anthony K. , Smith Luke J.
Published: March 2018

A “totally catalytic” nickel(0)‐mediated method for base‐free direct alkylation of allyl alcohols and allyl amines is reported. The reaction is selective for monoallylation, uses an inexpensive NiII precatalyst system, and requires no activating reagents to be present.
Effects of hydrothermal dewatering of lignite on rheology of coal water slurry
Authors: Li Qiang , Yang Dingzheng , Liu Qingxia , Zhang Jiansheng
Published: March 2018

Maximizing the dry‐based solid loading of coal particles in water is essential in increasing the burning efficiency of coal water slurry, which has been widely used as a liquid fuel. Understanding the rheology of coal water slurry could provide fundamental guidance on designing and optimizing coal water slurry formulation. The rheological studies have shown that coal water slurries made with lignite samples after hydrothermal dewatering (HTD) exhibit a stronger shear thinning behaviour as compared with those made with raw lignite samples. The viscosity of coal water slurry at the shear rate of 100 s−1 decreases with an increasing HTD temperature, which is probably due to the decrease of volume of lignite particles caused by the permanent reduction of both bound and non‐freezable water (inherent moisture) after the HTD process. The reduction of the inherent moisture of lignite samples after HTD treatment was elucidated by differential scanning calorimetry (DSC) under the temperature well below the freezing point. A lignite water slurry with a solid loading of 62 wt% db (dry basis) is obtained after hydrothermal dewatering at 300 °C with the addition of 1.2 wt% of polycarboxylate ether (PCE). Our findings indicated that hydrothermal dewatering of lignite has profound impacts on the inherent moisture of lignite and the rheological properties of coal water slurry.
Dithionated Nucleobases as Effective Photodynamic Agents against Human Epidermoid Carcinoma Cells
Authors: Pollum Marvin , Lam Minh , Jockusch Steffen , Crespo‐Hernández Carlos E.
Published: March 2018

Sulfur‐substituted nucleobases (i.e., thiobases) are a prospective class of compounds for clinical and cosmetic topical phototherapies. Recent investigations of several thiobases have revealed the ultrafast and efficient population of reactive triplet states upon ultraviolet‐A (UVA) irradiation and the subsequent generation of singlet oxygen in high yield. In this contribution, we examine the photosensitizing activities of three of the most promising thiobase derivatives discovered to date: 2,4‐dithiothymine, 2,4‐dithiouracil, and 2,6‐dithiopurine. These derivatives are shown to decrease the proliferation of human epidermoid carcinoma cells by up to 63 % in vitro, only upon activation with a low dose of UVA radiation (5 J cm−2). The generation of reactive oxygen species plays a minor role in the mode of action, suggesting these dithiobases may be effective within oxygen‐deficient environments. Importantly, the photosensitized activity correlates with the magnitude of the triplet lifetime, which should guide the molecular design of next‐generation photodynamic agents.
Efficacy and safety results of depatuxizumab mafodotin (ABT‐414) in patients with advanced solid tumors likely to overexpress epidermal growth factor receptor
Authors: Goss Glenwood D. , Vokes Everett E. , Gordon Michael S. , Gandhi Leena , Papadopoulos Kyriakos P. , Rasco Drew W. , Fischer JuDee S. , Chu Katharine L. , Ames William W. , Mittapalli Rajendar K. , Lee Ho‐Jin , Zeng Jiewei , Roberts‐Rapp Lisa A. , Loberg Lise I. , Ansell Peter J. , Reilly Edward B. , Ocampo Christopher J. , Holen Kyle D. , Tolcher Anthony W.
Published: March 2018

BACKGROUND

Epidermal growth factor receptor (EGFR) alterations are associated with multiple cancers. Current EGFR‐directed therapies have led to increased efficacy but are associated with specific side effects. The antibody‐drug conjugate depatuxizumab mafodotin (depatux‐m) targets EGFR with a monoclonal antibody linked to a cytotoxin, and is highly tumor‐specific.

METHODS

This phase 1/2 study evaluated the safety, pharmacokinetics, and efficacy of depatux‐m in patients who had advanced solid tumors with known wild‐type EGFR overexpression, amplification, or mutated EGFR variant III. A 3 + 3 dose escalation was used, and 2 dosing schedules were evaluated. Depatux‐m also was manufactured under an alternate process to reduce the drug load and improve the safety profile, and it was tested at the maximum tolerated dose (MTD). In another cohort, prolonged infusion time of depatux‐m was evaluated; and a cohort with confirmed EGFR amplification also was evaluated at the MTD.

RESULTS

Fifty‐six patients were treated. The MTD and the recommended phase 2 dose for depatux‐m was 3.0 mg/kg. Common adverse events (AEs) were blurred vision (48%) and fatigue (41%). A majority of patients (66%) experienced 1 or more ocular AEs. Grade 3 or 4 AEs were observed in 43% of patients. One patient with EGFR‐amplified, triple‐negative breast cancer had a partial response. Stable disease was observed in 23% of patients. Pharmacokinetics revealed that depatux‐m exposures were approximately dose‐proportional.

CONCLUSIONS

Depatux‐m resulted in infrequent nonocular AEs but increased ocular AEs. Patient follow‐up confirmed that ocular AEs were reversible. Lowering the drug‐antibody ratio did not decrease the number of ocular AEs. A partial response in 1 patient with EGFR‐amplified disease provides the opportunity to study depatux‐m in diseases with a high incidence of EGFR amplification. Cancer 2018;124:2174‐83. © 2018 The Authors. Cancer published by Wiley Periodicals, Inc. on behalf of American Cancer Society. This is an open access article under the terms of the Creative Commons Attribution NonCommercial License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
Pilot study of a multimodal intervention to enhance sexual function in survivors of hematopoietic stem cell transplantation
Authors: El‐Jawahri Areej , Fishman Sarah R. , Vanderklish Julie , Dizon Don S. , Pensak Nicole , Traeger Lara , Greer Joseph A. , Park Elyse R. , Markovitz Netana , Waldman Lauren , Hunnewell Chrisa , Saylor Meredith , Driscoll Jessica , Li Zhigang , Spitzer Thomas R. , McAfee Steven , Chen Yi‐Bin , Temel Jennifer S.
Published: March 2018

BACKGROUND

Although sexual dysfunction is common after hematopoietic stem cell transplantation (HCT), interventions to address sexual function are lacking.

METHODS

We conducted a pilot study to assess the feasibility and preliminary efficacy of a multimodal intervention to address sexual dysfunction in allogeneic HCT survivors. Transplant clinicians screened HCT survivors ≥3 months post‐HCT for sexual dysfunction causing distress. Those who screened positive attended monthly visits with a trained transplant clinician who: 1) performed an assessment of the causes of sexual dysfunction; 2) educated and empowered the patient to address his or her sexual concerns; and 3) implemented therapeutic interventions targeting the patient's needs. Feasibility was defined as having approximately 75% of patients who screened positive agreeing to participate and 80% attending at least 2 intervention visits. We administered the Patient‐Reported Outcomes Measurement Information System (PROMIS) sexual function and satisfaction measure, the Functional Assessment of Cancer Therapy–Bone Marrow Transplant (FACT‐BMT), and the Hospital Anxiety and Depression Scale (HADS) to evaluate sexual function, quality of life (QOL), and mood, respectively, at baseline and 6 months postintervention.

RESULTS

Approximately 33.1% of patients (50 of 151 patients) screened positive for sexual dysfunction causing distress and 94.0% (47 of 50 patients) agreed to participate, with 100% attending 2 intervention visits. Participants reported improvements in satisfaction (P<.0001) and interest in sex (P<.0001), as well as orgasm (P<.0001), erectile function (P<.0001), vaginal lubrication (P = .0001), and vaginal discomfort (P = .0005). At baseline, approximately 32.6% of participants were not sexually active, compared with 6.5% after the intervention (P = .0005). Participants reported improvement in their QOL (P<.0001), depression (P = .0002), and anxiety (P = .0019).

CONCLUSIONS

A multimodal intervention to address sexual dysfunction integrated within the transplant clinic is feasible with encouraging preliminary efficacy for improving sexual function, QOL, and mood in HCT survivors. Cancer 2018;124:2438‐46. © 2018 American Cancer Society.
Laser‐Assisted Synthesis of Colloidal FeWxOy and Fe/FexOy Nanoparticles in Water and Ethanol
Authors: Lasemi Niusha , Bomatí Miguel Oscar , Lahoz Ruth , Lennikov Vassili. V. , Pacher Ulrich , Rentenberger Christian , Kautek Wolfgang
Published: March 2018

Homogeneous polycrystalline FexOy nanoparticles were generated by ablation of iron targets in water by nanosecond laser pulses at 532 nm. In ethanol, crystalline core‐shell Fe/FexOy structures with size medians around 20 nm were produced. The ablation of FeWxOy targets in water resulted in crystalline hollow shells and homogeneous FeWxOy nanoparticles. In contrast, amorphous core‐shell FeWxOy nanoparticles with a median size of 17 nm were produced in ethanol. The size distribution of both the FexOy and the FeWxOy particles showed a slight dependence on fluence and pulse number. This may be related to primary and secondary ablation and modification mechanisms.
Adaptive Materials Based on Iron Oxide Nanoparticles for Bone Regeneration
Authors: Li Yan , Ye Dewen , Li Mingxi , Ma Ming , Gu Ning
Published: March 2018

The paper provides a brief overview of the use of iron oxide nanoparticles (IONPs) in the areas of bone regenerative medicine. Reconstruction of bone defects caused by trauma, non‐union, and bone tumor excision, still faces many challenges despite the intense investigations and advancement in bone‐tissue engineering and bone regeneration over the past decades. IONPs have promising prospects in this field due to their controlled responsive characteristics in specific external magnetic fields and have been of great interest during the last few years. This Minireview aims to summarize the relevant progress and describes the following five aspects: (i) The general introduction of IONPs, with a focus on the magnetic properties as the base of application; (ii) using IONPs as tools to study and control stem cells for better treatment efficacy in stem‐cell‐based bone defect repair; (iii) the use of IONPs and their complexes in the delivery of therapeutic agents, including chemical drug molecules, growth factors, and genetic materials, to promote osteogenesis‐related cell function and differentiation, healthy bone tissue growth, and functional reconstruction; (iv) magneto‐mechanical actuation in the regulation of cells distribution, mechano‐transduction membrane receptors activation, and mechanosensitive signaling pathways regulation, and (v) fabrication, characteristics, and in vitro and in vivo osteogenic effects of magnetic composite bone scaffolds. Ongoing prospects are also discussed.
The Schwann Cell as an Active Synaptic Partner
Authors: Hyung Sujin , Jung Kyuhwan , Cho Sung‐Rae , Jeon Noo Li
Published: March 2018

The schwann cells of the peripheral nervous system are indispensable for the formation, maintenance, and modulation of synapses over the life cycle. They not only recognize neuron‐glia signaling molecules, but also secrete gliotransmitters. Through these processes, they regulate neuronal excitability and thus the release of neurotransmitters from the nerve terminal at the neuromuscular junction. Gliotransmitters strongly affect nerve communication, and their secretion is mainly triggered by synchronized Ca2+ signaling, implicating Ca2+ waves in synapse function. Reciprocally, neurotransmitters released during synaptic activity can evoke increases in intracellular Ca2+ levels. A reconsideration of the interplay between the two main types of cells in the nervous system is due, as the concept of nervous system activity comprising only neuron‐neuron and neuron‐muscle action has become untenable. A more precise understanding of the roles of schwann cells in nerve‐muscle signaling is required.
Nucleophilic Substitution (SN2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent
Authors: Hamlin Trevor A. , Swart Marcel , Bickelhaupt F. Matthias
Published: March 2018

The reaction potential energy surface (PES), and thus the mechanism of bimolecular nucleophilic substitution (SN2), depends profoundly on the nature of the nucleophile and leaving group, but also on the central, electrophilic atom, its substituents, as well as on the medium in which the reaction takes place. Here, we provide an overview of recent studies and demonstrate how changes in any one of the aforementioned factors affect the SN2 mechanism. One of the most striking effects is the transition from a double‐well to a single‐well PES when the central atom is changed from a second‐period (e. g. carbon) to a higher‐period element (e.g, silicon, germanium). Variations in nucleophilicity, leaving group ability, and bulky substituents around a second‐row element central atom can then be exploited to change the single‐well PES back into a double‐well. Reversely, these variations can also be used to produce a single‐well PES for second‐period elements, for example, a stable pentavalent carbon species.
Modelling Charge Transfer in Weak Chemical Bonds: Insights from the Chemistry of Helium
Authors: Nunzi Francesca , Cesario Diego , Pirani Fernando , Belpassi Leonardo , Tarantelli Francesco
Published: March 2018

We studied the nature of the interaction of the weakly bound Be−He adduct by means of an integrated theoretical approach based on high‐level quantum chemical calculations for the characterization of the potential energy surfaces and charge displaced upon adduct formation, together with the development of a semi‐empirical analytical formulation of the interaction potential. Our results show that Be is able to form a stable adduct with He when the Be(1D) (1s2 2s2→1s2 2s0 2p2) excited state is involved, with a binding energy of as much as 10.2 kcal/mol, an astonishingly large value for He in neutral systems. The analysis of the leading interaction components in the Be*−He adduct proves the relevance of the charge transfer to the overall stability, which contributes to decreasing the intermolecular distance, thus strengthening the induction‐energy component.
Quantifying the Polymeric Capping of Nanoparticles with X‐Ray Photoelectron Spectroscopy
Authors: Tanner Eden E. L. , Sokolov Stanislav V. , Ngamchuea Kamonwad , Palgrave Robert G. , Compton Richard G.
Published: March 2018

X‐ray photoelectron spectroscopy was used to characterise silver nanoparticles capped with poly(ethylene) glycol (PEG) in a room‐temperature ionic liquid (RTIL), 1‐butyl‐3‐methylimidazolium tetrafluoroborate ([Bmim][BF4]). The amounts of oxygen and silver present in nanoparticles capped with different molecular weight thiolated PEG chains were monitored, and the number of thiolated PEG chains per nanoparticle was calculated, an in situ characterisation not previously possible.
A Simple Device Based on Smart Hollow Microgels for Facile Detection of Trace Lead(II) Ions
Authors: Wang Yuan , Liu Zhuang , Peng Han‐Yu , He Fan , Zhang Lei , Faraj Yousef , Wang Wei , Ju Xiao‐Jie , Xie Rui , Chu Liang‐Yin
Published: March 2018

A simple device, which is equipped with a non‐woven fabric filter medium immobilized with ion‐recognizable smart hollow microgels, is developed for facile detection of trace lead(II) ions (Pb2+). The ion‐recognizable smart microgels are made of poly(N‐isopropylacrylamide‐co‐benzo‐18‐crown‐6‐acrylamide) (PNB), in which the 18‐crown‐6 groups act as the sensors of Pb2+ and the N‐isopropylacrylamide groups act as the actuators. The PNB hollow microgels can isothermally change from a shrunk state to a swollen state in response to recognizing Pb2+ in the aqueous environment due to the electrostatic repulsion among the charged 18‐crown‐6/Pb2+ complex groups and the enhancement of hydrophilicity of the microgels. Due to the hollow structures, the PNB microgels show remarkable isothermal swelling ratio. Thus, the flux of solution pass through the non‐woven fabric filter medium decreases significantly because of the remarkable reduction in the space for liquid flowing upon recognizing Pb2+. The Pb2+ concentration can be detected quantitatively by simply and easily measuring the change of solution flux using the proposed device, which is operated without external power supply or spectroscopic measurements. The strategy proposed in this study provides a promising method for facile detection of trace Pb2+ in aqueous environments.
Uncovering Periodicity and Hidden Trends Responsible for Predicting the Magnetic Moment of Body Centered Cubic Crystal
Authors: Takahashi Keisuke
Published: March 2018

Prediction of the magnetic moment of binary body centered cubic (BCC) is explored in terms of first principle calculations and data science. A dataset of 1,541 binary BCC materials constructed by first principle calculations is implemented for data mining. Descriptors for determining the magnetic moment are explored using machine learning, where classification and regression models are both implemented. Data mining reveals that two descriptors are responsible for classifying whether the materials have zero or nonzero magnetic moments and can also classify which groups of magnetic moments they belong to (μB<1, 1≤μB<2, or 2≤μB<3) where the average scores produced in cross validation indicate 80 % and 91 % accuracy, respectively. Furthermore, the direct prediction of magnetic moments is performed using a regression model where eight descriptors are revealed with an average score of 74 % accuracy. The inverse problem – from a given magnetic moment to corresponding material – is successfully addressed where the stability of the predicted materials are confirmed by further first principle calculations. Thus, descriptors for the magnetic moment in BCC materials are revealed and can be seen as the base descriptor set for the magnetic moments of further complex materials.
Effect of Deuterium Content on the Optical Properties of DKDP Crystals
Authors: Xu Mingxia , Zhang Lisong , Liu Fafu , Wang Shaoyan , Lian Yafei , Wang Fang , Wang Zhengping , Xu Xinguang , Sun Xun , Sun Shaotao
Published: March 2018

In this paper, the optical properties of deuterated potassium dihydrogen phosphate (DKDP) crystals with deuterium content of 55, 65 and 70% grown by traditional temperature‐reduction method are studied, including weak absorption, non‐uniformities of refractive indices, 3ω conversion efficiency and the 3ω laser damage threshold (3ω LDT). The results indicate that the weak absorption of 70% DKDP crystal is smaller than that of 55 and 65% DKDP. The result of non‐uniformities of refractive indices is further confirmed that the variation of deuterium content has little effect on the homogeneity of DKDP crystals. The 3ω conversion efficiency is measured under the optimum phase matching angle and 3ω conversion efficiency of 70% DKDP crystal is the highest, which achieved 50%. The results indicate that 3ω LDT of 70% DKDP crystal is slightly higher than that of 55 and 65% DKDP.
CSR and green economy: Determinants and correlation of firms’ sustainable development
Authors: Marco‐Fondevila Miguel , Moneva Abadía José M. , Scarpellini Sabina
Published: March 2018

The determinants of accountability and their links to environmental performance have been extensively studied, but without reaching solid conclusions, especially among SMEs. The once promising approaches of CSR and green economy are subject to mistrust, partly derived from a lack of awareness and understanding of what companies really do and why.

This paper examines the determinants and empirical interrelations between accountability standards and environmental proactivity within a comprehensive group of companies. From a regional focus reflecting the transversal cultural and socioeconomic circumstances linked to the context, an empirical research for 297 companies in the region of Aragon (Spain) was conducted, studying their environmental disclosure and performance, as well as the managerial determinant factors.

The findings confirm the relevance of companies’ internal factors as determinants for accountability, but also the significance of geographical factors in green companies’ relationship with stakeholders. The positive correlation between accountability and environmental proactivity suggests distinctive business strategies towards compliance and stakeholder engagement.