bluuebunny/crossref_metadata_2025 huggingface dataset:
Benzo[c]isothiazole 2‐Oxides: Three‐Dimensional Heterocycles with Cross‐Coupling and Functionalization Potential
Authors: Lamers Philip , Buglioni Laura , Koschmieder Steffen , Chatain Nicolas , Bolm Carsten
Published: November 2016

A robust method for the synthesis of benzo[c]isothiazole 2‐oxides has been developed providing a range of functionalized derivatives starting from anilines and DMSO. The reaction sequence can be performed on a gram scale and leads to products that can easily be modified by standard cross‐coupling reactions.

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Sulfonated gamma‐irradiated blend poly(styrene/ethylene‐vinyl acetate) membrane and their electrical properties
Authors: Ghobashy Mohamed Mohamady , Khozemey Ehab
Published: November 2016

A compatibilized blend membrane of polystyrene (PS)/polyethylene‐vinyl acetate (PEVA) (50: 50) wt % was produced by compression molded at 180°C after irradiated by gamma ray at 50‐kGy dose. The influence of gamma radiation on the properties of the blend (PS/PEVA) membrane was investigated. The irradiated samples showed an increase in the degree of crystallinity due to the presence of additional chemical bonds as observed by X‐ray diffraction. As a result of irradiation, the miscibility of the two polymer matrix is enhanced by interfacial adhesion between the components in the blend polymer without any voids as observed by scanning electron microscopy. Furthermore, electrical conductivity in the blend (PS/PEVA) membrane was enhanced by introducing SO3H groups. Sulfonation process converts the blend from noncontact (5 × 10−8 S cm−1) to semi‐contact (3.8 × 10−3 S cm−1) by AC current at wet condition, and this can find applications in the fuel cells.
All‐Organic Battery Composed of Thianthrene‐ and TCAQ‐Based Polymers
Authors: Wild Andreas , Strumpf Maria , Häupler Bernhard , Hager Martin D. , Schubert Ulrich S.
Published: November 2016

An all‐organic battery consisting of two redox‐polymers, namely poly(2‐vinylthianthrene) and poly(2‐methacrylamide‐TCAQ) is assembled. This all‐organic battery shows excellent performance characteristics, namely flat discharge plateaus, an output voltage exceeding 1.3 V, and theoretical capacities of both electrodes higher than 100 mA h g−1. Both organic electrode materials are synthesized in two respective three synthetic steps using the free‐radical polymerization technique. Li‐organic batteries manufactured from these polymers prove their suitability as organic electrode materials. The cathode material poly(2‐vinylthianthrene) (3) displays a discharging plateau at 3.95 V versus Li+/Li and a discharge capacity of 105 mA h g−1, corresponding to a specific energy of about 415 mW h g−1. The anode material poly(2‐methacrylamide‐TCAQ) (7) exhibits an initial discharge capacity of 130 mA h g−1, corresponding to 94% material activity. The combination of both materials results in an all‐organic battery with a discharge voltage of 1.35 V and an initial discharge capacity of 105 mA h g−1 (95% material activity).
Conductive and Stable Magnesium Oxide Electron‐Selective Contacts for Efficient Silicon Solar Cells
Authors: Wan Yimao , Samundsett Chris , Bullock James , Hettick Mark , Allen Thomas , Yan Di , Peng Jun , Wu Yiliang , Cui Jie , Javey Ali , Cuevas Andres
Published: November 2016

A high Schottky barrier (>0.65 eV) for electrons is typically found on lightly doped n‐type crystalline (c‐Si) wafers for a variety of contact metals. This behavior is commonly attributed to the Fermi‐level pinning effect and has hindered the development of n‐type c‐Si solar cells, while its p‐type counterparts have been commercialized for several decades, typically utilizing aluminium alloys in full‐area, and more recently, partial‐area rear contact configurations. Here the authors demonstrate a highly conductive and thermally stable electrode composed of a magnesium oxide/aluminium (MgOx/Al) contact, achieving moderately low resistivity Ohmic contacts on lightly doped n‐type c‐Si. The electrode, functionalized with nanoscale MgOx films, significantly enhances the performance of n‐type c‐Si solar cells to a power conversion efficiency of 20%, advancing n‐type c‐Si solar cells with full‐area dopant‐free rear contacts to a point of competitiveness with the standard p‐type architecture. The low thermal budget of the cathode formation, its dopant‐free nature, and the simplicity of the device structure enabled by the MgOx/Al contact open up new possibilities in designing and fabricating low‐cost optoelectronic devices, including solar cells, thin film transistors, or light emitting diodes.
On the 2D nature of flow dynamics in opposed jets mixers
Authors: Gonçalves Nelson D. , Salvador Hélder M. , Fonte Cláudio P. , Dias Madalena M. , Lopes José Carlos B. , Santos Ricardo J.
Published: November 2016

Confined impinging jets (CIJs) are reactors used in processes that require fast mixing. In such equipment two fluids are injected from opposite sides of a chamber, impinging into each other and forming flow structures that enable an effective mixing and reaction. The turbulence analysis shows that the energy is injected from smaller scales, having approximately the injectors width, that feed larger scale structures up to larger vortices that occupy the entire mixing chamber width. This energy distribution has an inverse energy cascade, i. e. it is an inversion of the traditional description of homogeneous 3D turbulence. The typical flow scales of 2D CIJs are clearly shown in this work to be linked to the 2D turbulence energy spectrum and to integral scales of turbulence. Moreover, the turbulence mechanisms in 3D CIJs at transitional flow regimes are shown to be similar to 2D CIJs. This is to our knowledge the first demonstration of 2D turbulence in an industrial mixer/reactor. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2335–2347, 2017
A complete understanding of the reaction kinetics for the industrial production process of expandable polystyrene
Authors: De Keer Lies , Van Steenberge Paul H. M. , Reyniers Marie‐Françoise , Marin Guy B. , Hungenberg Klaus‐Dieter , Seda Libor , D'hooge Dagmar R.
Published: November 2016

For the industrial expandable polystyrene (EPS) process, the Predici software package is successfully applied to demonstrate that the composite kt model is the most appropriate one to accurately account for diffusional limitations on termination. For a broad range of conditions, the reported set of model parameters allows an excellent description of experimental data on monomer conversion and molar mass distribution (MMD). For low temperatures and dicumylperoxide amounts (<403 K; < 0.20 m % DCP), a bimodal log‐MMD is obtained, which can be explained by the inability of chain transfer to attenuate the gel‐effect. For the opposite conditions, a unimodal log‐MMD results as the composite kt model provides an excellent description of the termination rates of the by chain transfer formed radicals. A unimodal log‐MMD also follows by adding a sufficiently high amount of the blowing agent n‐pentane (∼20 m %). The impact of degradation reactions on the EPS product can be neglected. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2043–2059, 2017
Ethylene glycol production from glucose over W‐Ru catalysts: Maximizing yield by kinetic modeling and simulation
Authors: Zhao Guanhong , Zheng Mingyuan , Sun Ruiyan , Tai Zhijun , Pang Jifeng , Wang Aiqin , Wang Xiaodong , Zhang Tao
Published: November 2016

The kinetics of glucose conversion to ethylene glycol (EG) in the presence of ammonium paratungstate and Ru/AC catalysts was studied to model and predict the reaction performance under a range of conditions. A mathematical model was established through the rational simplification of the reaction network on the basis of a continuous stirred‐tank model. The kinetic data of six major reactions in the network were experimentally measured, and the analytical expressions of overall reaction kinetics were obtained by introducing the kinetic data to the model. Yields of EG, hexitols and gas were described as functions of the reaction temperature, the concentration of glucose in the feedstock and the feeding rate. The simulation results matched the experimental data of glucose conversion, demonstrating the validity of the model and method for studying the overall kinetics of glucose conversion to EG over W‐Ru catalysts. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2072–2080, 2017
Dynamic properties of a continuous stirred tank biofilm bioreactor for aerobic processes
Authors: Skoneczny Szymon , Tabiś Bolesław
Published: November 2016

A dynamic analysis of a continuous stirred tank bioreactor with biofilm was performed. The existence of gas, liquid, and biofilm were taken into account. The proposed heterogeneous model of such bioreactor takes into account dynamic biofilm growth and interphase transfer of substrates and biomass for a double‐substrate aerobic process. Simulations were performed to investigate the influence of important process parameters, i.e., toxic substrate concentration in the feed stream, detachment rate coefficient, mean residence time of the liquid and aeration intensity, on dynamic properties of the bioreactor. Dynamic behavior at conditions of anoxia of microorganisms were shown. A method was proposed to reduce bioreactor start‐up time significantly. The paper presents a mathematical model of the bioreactor that uses a discrete model of biofilm growth based on the theory of cellular automata. Dynamics of the bioreactor based on the continuous and discrete biofilm model was compared. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1818–1829, 2017
Father absence but not fosterage predicts food insecurity, relative poverty, and poor child health in northern Tanzania
Authors: Lawson David W. , Schaffnit Susan B. , Hassan Anushé , Ngadaya Esther , Ngowi Bernard , Mfinanga Sayoki G. M. , James Susan , Borgerhoff Mulder Monique
Published: November 2016

Objectives

The importance of fathers in ensuring child health in rural developing populations is questioned by anthropologists and population health scientists. Existing literature focuses on paternal death and child mortality. A relative lack of studies consider alternative forms of father absence and/or more subtle health outcomes. Here we determine the frequency and form of father absence in northern Tanzania, and its relationship to household food security, wealth, and child anthropometric status.

Methods

We conducted a cross‐sectional survey of 3136 children under 5 years of age from 56 villages. Using multilevel regression we contrast children residing with both parents to those that (i) have experienced paternal death, (ii) reside with their mother but not their living father and (iii) are fostered apart from both living parents.

Results

Of the total, 3.5% of children had experienced paternal death. Thirteen percent resided with their mother but away from their living father. Supporting data indicate such cases primarily reflect parental divorce/separation, extra‐marital birth, or polygynous fathers residing with an alternative cowife. Paternal death and residing apart from one's living father was associated with lower food security and/or relative poverty and there is suggestive evidence that children in such circumstances achieve lower height‐for‐age. Six percent of children were fostered, usually with grandparents, and were comparable to children residing with both parents in terms of household food security, wealth, and anthropometric status.

Conclusion

Our results highlight diversity in the form and consequences of father absence. We discuss limitations of the current study and wider literature on fatherhood and make suggestions for future research.
Determinants of disinfectant use among nurses in U.S. healthcare facilities
Authors: Dumas Orianne , Wiley Aleta S. , Henneberger Paul K. , Speizer Frank E. , Zock Jan‐Paul , Varraso Raphaëlle , Le Moual Nicole , Boggs Krislyn M. , Camargo Carlos A.
Published: November 2016

Background

Disinfectant use among healthcare workers has been associated with respiratory disorders, especially asthma. We aimed to describe disinfectants used by U.S. nurses, and to investigate qualitative and quantitative differences according to workplace characteristics and region.

Methods

Disinfectant use was assessed by questionnaire in 8,851 nurses. Hospital characteristics were obtained from the American Hospital Association database.

Results

Working in a hospital was associated with higher disinfectant use (OR: 2.06 [95%CI: 1.89–2.24]), but lower spray use (0.74 [0.66–0.82]). Nurses working in smaller hospitals (<50 beds vs. ≥200 beds) were more likely to use disinfectants (1.69 [1.23–2.32]) and sprays (1.69 [1.20–2.38]). Spray use was lower in the West than in the Northeast (0.75 [0.58–0.97]).

Conclusion

Disinfectant use was more common among nurses working in smaller hospitals, possibly because they perform more diverse tasks. Variations in spray use by hospital size and region suggest additional targets for future efforts to prevent occupational asthma. Am. J. Ind. Med. 60:131–140, 2017. © 2016 Wiley Periodicals, Inc.
The new ANSI nail gun standard: A lost opportunity for safety
Authors: Howard John , Branche Christine M. , Earnest G. Scott
Published: November 2016

Pneumatic nail guns have been shown in published studies to cause injury and death to both workers and consumers, but those equipped with sequential trigger mechanisms provide much greater safety protection against unintentional discharge than those equipped with contact triggers. In 2015 the American National Standards Institute (ANSI) approved a revision to its 2002 nail gun standard, but failed to require sequential triggers. Substantive and procedural deficiencies in the ANSI standard's development process resulted in a scientifically unsound nail gun safety standard, detracting from its use as the basis for a mandatory national safety standard and ultimately from its ability to protect worker and consumer users. Am. J. Ind. Med. 60:147–151, 2017. © 2016 Wiley Periodicals, Inc.
Homozygous LIPE mutation in siblings with multiple symmetric lipomatosis, partial lipodystrophy, and myopathy
Authors: Zolotov Sagit , Xing Chao , Mahamid Riad , Shalata Adel , Sheikh‐Ahmad Mohammed , Garg Abhimanyu
Published: November 2016

Despite considerable progress in identifying causal genes for lipodystrophy syndromes, the molecular basis of some peculiar adipose tissue disorders remains obscure. In an Israeli–Arab pedigree with a novel autosomal recessive, multiple symmetric lipomatosis (MSL), partial lipodystrophy and myopathy, we conducted exome sequencing of two affected siblings to identify the disease‐causing mutation. The 41‐year‐old female proband and her 36‐year‐old brother reported marked accumulation of subcutaneous fat in the face, neck, axillae, and trunk but loss of subcutaneous fat from the lower extremities and progressive distal symmetric myopathy during adulthood. They had increased serum creatine kinase levels, hypertriglyceridemia and low levels of high‐density lipoprotein cholesterol. Exome sequencing identified a novel homozygous NC_000019.9:g.42906092C>A variant on chromosome 19, leading to a NM_005357.3:c.3103G>T nucleotide change in coding DNA and corresponding p.(Glu1035*) protein change in hormone sensitive lipase (LIPE) gene as the disease‐causing variant. Sanger sequencing further confirmed the segregation of the mutation in the family. Hormone sensitive lipase is the predominant regulator of lipolysis from adipocytes, releasing free fatty acids from stored triglycerides. The homozygous null LIPE mutation could result in marked inhibition of lipolysis from some adipose tissue depots and thus may induce an extremely rare phenotype of MSL and partial lipodystrophy in adulthood associated with complications of insulin resistance, such as diabetes, hypertriglyceridemia and hepatic steatosis. © 2016 Wiley Periodicals, Inc.
Neuroligin 2 nonsense variant associated with anxiety, autism, intellectual disability, hyperphagia, and obesity
Authors: Parente Daniel J. , Garriga Caryn , Baskin Berivan , Douglas Ganka , Cho Megan T. , Araujo Gabriel C. , Shinawi Marwan
Published: November 2016

Neuroligins are post‐synaptic, cellular adhesion molecules implicated in synaptic formation and function. NLGN2 is strongly linked to inhibitory, GABAergic signaling and is crucial for maintaining the excitation‐inhibition balance in the brain. Disruption of the excitation‐inhibition balance is associated with neuropsychiatric disease. In animal models, altered NLGN2 expression causes anxiety, developmental delay, motor discoordination, social impairment, aggression, and sensory processing defects. In humans, mutations in NLGN3 and NLGN4 are linked to autism and schizophrenia; NLGN2 missense variants are implicated in schizophrenia. Copy number variants encompassing NLGN2 on 17p13.1 are associated with autism, intellectual disability, metabolic syndrome, diabetes, and dysmorphic features, but an isolated NLGN2 nonsense variant has not yet been described in humans. Here, we describe a 15‐year‐old male with severe anxiety, obsessive‐compulsive behaviors, developmental delay, autism, obesity, macrocephaly, and some dysmorphic features. Exome sequencing identified a heterozygous, de novo, c.441C>A p.(Tyr147Ter) variant in NLGN2 that is predicted to cause loss of normal protein function. This is the first report of an NLGN2 nonsense variant in humans, adding to the accumulating evidence that links synaptic proteins with a spectrum of neurodevelopmental phenotypes. © 2016 Wiley Periodicals, Inc.
Analysis of copy number variants in 11 pairs of monozygotic twins with neurofibromatosis type 1
Authors: Sites Emily R. , Smolarek Teresa A. , Martin Lisa J. , Viskochil David H. , Stevenson David A. , Ullrich Nicole J. , Messiaen Ludwine M. , Schorry Elizabeth K.
Published: November 2016

Phenotypic variability among individuals with neurofibromatosis type 1 (NF1) has long been a challenge for clinicians and an enigma for researchers. Members of the same family and even identical twins with NF1 often demonstrate variable disease expression. Many mechanisms for this variability have been proposed. We have performed an exploratory study of copy number variants (CNVs) as a possible source of phenotypic variability in NF1. We enrolled 11 pairs of monozygotic (MZ) twins with NF1 and their parents, catalogued their clinical characteristics, and utilized a single nucleotide polymorphism (SNP) microarray to identify CNVs in blood and saliva. The 11 twin pairs showed high concordance for presence and number of café‐au‐lait spots, cutaneous neurofibromas, IQ, and ADHD. They were more likely to be discordant for optic pathway glioma, plexiform neurofibromas, skeletal manifestations, and malignancy. Microarray analysis identified a total of 81 CNVs meeting our conservative criteria, 37 of which overlap known genes. Of interest, three CNVs were previously unreported. Microarray analysis failed to ascertain any CNV differences within twin pairs, between twins and parents, or between tissues in any one individual. Results of this small pilot study did not demonstrate any de novo CNV events in our MZ twin pairs, nor were de novo CNVs overrepresented in these individuals with NF1. A much larger sample size would be needed to form any conclusions about the role of CNVs in NF1 variable expressivity. Alternative explanations for discordant phenotypes include epigenetic changes, smaller genetic alterations, or environmental factors. © 2016 Wiley Periodicals, Inc.
Alternative designs for clinical trials in rare diseases
Authors: Abrahamyan Lusine , Feldman Brian M. , Tomlinson George , Faughnan Marie E. , Johnson Sindhu R. , Diamond Ivan R. , Gupta Samir
Published: November 2016

Evidence‐based medicine requires strong scientific evidence upon which to base treatment. In rare diseases, study populations are often small, and thus this evidence is difficult to accrue. Investigators, though, should be creative and develop a flexible toolkit of methods to deal with the problems inherent in the study of rare disease. This narrative review presents alternative clinical trial designs for studying treatments of rare diseases, including cross‐over and n‐of‐1 trials, randomized placebo‐phase design, enriched enrollment, randomized withdrawal design, and classes of adaptive designs. Examples of applications of these designs are presented along with their advantages and disadvantages. Additional analytical considerations such as Bayesian analysis, internal pilots, and use of biomarkers as surrogate outcomes are further discussed. A framework for selecting appropriate clinical trial design is proposed to guide investigators in the process of selecting alternative designs for rare diseases. © 2016 Wiley Periodicals, Inc.
Synthesis of Thermally Robust, Photostable Aza‐Dipyrromethene Ligands Substituted with Nitro Groups
Authors: Gut Arkadiusz , Łapok Łukasz , Jamróz Dorota , Nowakowska Maria
Published: November 2016

We report herein synthesis of four novel nitro‐substituted aza‐BODIPY (boron‐dipyrromethene) ligands. Two methods are proposed and compared for the synthesis of aza‐BODIPY. Direct conversion of 1,3‐diaryl‐4‐nitrobutan‐1‐ones into aza‐dipyrromethenes usually gives higher reaction yields, however, this method depends on the substitution pattern of the substrate. An efficient synthesis of four 2,4‐diarylpyrroles and four 2,4‐diaryl‐5‐nitrosopyrroles was achieved. Both 2,4‐diarylpyrroles and their nitroso derivatives served as building blocks for the synthesis of aza‐BODIPY. The compounds studied exhibit a broad absorption band from around 500 nm to 700 nm, with λmax located at approximately 620 nm. Differential pulse voltammetry (DPV) was used to study the frontier orbital energy levels. Depending on the substitution pattern, three to four reduction peaks were detected. The value of the first reduction potential (Ered1) and, as a result of it, the value of the ELUMO remained relatively constant across all aza‐BODIPYs studied. However, the value of the first oxidation potential (Eox1), the number of oxidation peaks, the EHOMO, and the electrochemical gap (Eg) were sensitive to the substitution pattern on the ligand. Thermogravimetric (TGA) analysis revealed that the aza‐BODIPYs studied were stable up to approximately 260 °C. All compounds studied exhibited extremely high photostability in THF solution. DFT analysis showed that substitution of the phenyl rings with the NO2 group resulted in the lowering of the energies of both frontiers orbitals and narrowing of the HOMO–LUMO energy gap.
Sinonasal adenoid cystic carcinoma: a population‐based analysis of 694 cases
Authors: Unsal Aykut A. , Chung Sei Y. , Zhou Albert H. , Baredes Soly , Eloy Jean Anderson
Published: November 2016

Background

Currently, limited literature exists about sinonasal adenoid cystic carcinoma (SNACC). In this study, we analyze the demographics, survival, and treatment efficacy of this rare entity.

Methods

Our study was a retrospective population‐based analysis of SNACC in the Surveillance, Epidemiology, and End Results (SEER) database assessing the 40‐year time‐frame of 1973 to 2013.

Results

Six hundred ninety‐four SNACC patients were identified; 53.2% were female and 46.8% were male. Caucasians were most commonly affected (77.1%). SNACC most often arose from the maxillary sinuses, followed by the nasal cavity. The majority of SNACC cases presented as stage IV disease. Nodal and distant metastases were present in 3.6% and 7.1% of all cases, respectively. Overall 5‐, 10‐, and 20‐year disease‐specific survival (DSS) rates were 66.5%, 41.1%, and 17.6%, respectively. The presence of distant metastasis dropped the 5‐year DSS rate from 64.5% to 20.0%. Cases treated with combined surgery and adjuvant radiotherapy had a slightly improved 5‐year DSS rate compared with surgery alone (73.5% vs 72.5%). Surgery alone resulted in higher 10‐ and 20‐year DSS rates (54.2% and 36.8%, respectively) when compared with combined therapy (44.2% and 15.5%), radiotherapy alone (10.8% and 0%), and no surgery or radiotherapy (9.3% and 0%).

Conclusion

This study represents the largest cohort of SNACC patients to date. Factors that confer a survival benefit in SNACC include M0 disease, and presentation primarily in the nasal cavity. Overall low rates of nodal metastasis may not warrant the use of elective neck dissections, unless there is clinical suspicion. Modalities of therapy that include surgery greatly improve survival. Adjuvant radiotherapy appears to slightly improve 5‐year disease‐free survival but does not impact long‐term survival.
Fluorescein‐guided intraoperative endoscopy in patients with hereditary hemorrhagic telangiectasia: first impressions
Authors: Pagella Fabio , Pusateri Alessandro , Zaccari Dario , Bongetta Daniele , Zoia Cesare , Spinozzi Giuseppe , Olivieri Carla , Matti Elina
Published: November 2016

Background

Hereditary hemorrhagic telangiectasia (HHT) is a rare genetic disease that results in mucocutaneous telangiectasias and arteriovenous visceral malformations. Nasal telangiectasias lead to recurrent epistaxis, which affects up to 96% of patients. Different morphologic classifications and methods of visualization of nasal lesions have been described in the literature. We developed a new method of intraoperative endoscopy based on the intravenous administration of fluorescein. Preliminary data of this technique are reported.

Methods

After the intravenous administration of sodium fluorescein, an intraoperative fluorescein‐guided endoscopy was carried out using photographic customized yellow filters on top of a 0‐degree, 4‐mm endoscope.

Results

In 2015, 65 HHT patients underwent surgery for their epistaxis in our institution, and in 7 patients (3 males, 4 females; mean age, 54 years) an intraoperative fluorescein‐guided intraoperative nasal endoscopy was performed. No adverse events or complications were observed.

Conclusion

First impressions regarding the usage of this technique in HHT patients seem to be promising and positive in terms of efficacy and safety. However, further studies with larger cohorts of patients should be performed in order to better investigate the use of this method for diagnostic and surgical purposes in HHT.
Influence of interpersonal traits on patient outcomes in the treatment of chronic rhinosinusitis
Authors: Levy Joshua M. , Mace Jess C. , Smith Timothy L. , Soler Zachary M.
Published: November 2016

Background

Patient‐reported outcome measures (PROMs) measure health states in chronic rhinosinusitis (CRS) and have become the dominant metrics of treatment outcomes. Interpersonal traits (IPTs) are patient‐specific factors that include personality type, perceived social support, and trust in physicians. The association of IPTs on treatment outcomes among patients with CRS has not been described previously, and IPTs may represent major clinical factors influencing treatment outcomes.

Methods

Adult patients electing medical or surgical treatment for recalcitrant CRS were prospectively enrolled into a multi‐institutional, observational outcomes study. Validated measures of IPTs, including the Big Five Inventory‐10 Short Version (BFI‐10), Multidimensional Scale of Perceived Social Support (MSPSS), and the Trust in Physician Scale (TPS), were completed and compared with PROMs, which included the 22‐item SinoNasal Outcome Test (SNOT‐22), the Medical Outcomes Study Short Form‐6D (SF‐6D), and the Patient Health Questionnaire‐2 (PHQ‐2).

Results

Three hundred fifty‐four participants were included and followed for an average (± standard deviation) of 16.3 (±4.8) months. Significant within‐subject improvement in mean PROM scores was reported (all p <0.001). No association was detected between PROM score improvement and baseline BFI‐10 or MSPSS scores (p > 0.050). Significant, but weak, absolute correlations were reported between baseline TPS scores and improvement in SNOT‐22, SF‐6D, and PHQ‐2 total scores (p < 0.050; r ≤ 0.138).

Conclusion

Personality type and perceived social support do not associate with improvement after treatment for CRS. However, increased trust in physicians is weakly associated with greater posttreatment improvement. Further study is needed to examine the relationship between physician trust, patient satisfaction, and treatment outcomes among patients with CRS.
Entwicklung Pyrrolobenzodiazepin(PBD)‐haltiger Antikörper‐Wirkstoff‐Konjugate (ADCs) ausgehend von Anthramycin
Authors: Mantaj Julia , Jackson Paul J. M. , Rahman Khondaker M. , Thurston David E.
Published: November 2016

Die Pyrrolo[2,1‐c][1,4]benzodiazepine (PBDs) sind eine Familie sequenzselektiver Wirkstoffe, die an die kleine Furche der DNA binden und eine kovalente Aminalbindung zwischen der C11‐Position und den C2‐NH2‐Gruppen der Guaninbasen bilden. Anthramycin ist das erste Beispiel eines PBD‐Monomers und wurde in den 1960er Jahren entdeckt. In den 1990er Jahren wurde das bekannteste PBD‐Dimer SJG‐136 entwickelt und hat jetzt bereits die klinischen Studien der Phase II in Patienten mit Leukämie und Eierstockkrebs durchlaufen. Seit kurzem werden aus PBD‐Dimeranaloga und spezifisch an Tumorzellen bindenden Antikörpern Antikörper‐Wirkstoff‐Konjugate (ADCs) hergestellt. Von diesen befinden sich derzeit mehrere in klinischen Studien und viele andere in der präklinischen Entwicklung. Dieser Aufsatz zeigt die Entwicklung der PBDs ausgehend von Anthramycin über die ersten PBD‐Dimere bis hin zu PBD‐haltigen ADCs und behandelt sowohl die Struktur‐Wirkungs‐Beziehungen und die Biologie der PBDs als auch die Strategien für ihre Verwendung als Wirkstoffkomponente in ADCs.
Ein zweikerniges Quecksilber(II)‐vermitteltes Basenpaar in DNA
Authors: Mandal Soham , Hebenbrock Marian , Müller Jens
Published: November 2016

Erstmals konnte ein zweikerniges metallvermitteltes Basenpaar mit zweiwertigen Metallionen erzeugt werden. Dies gelang durch Kombination des neutralen Purinderivats 1,N6‐Ethenoadenin (ϵA), das als doppelt einzähniger Ligand bevorzugt zwei Metallionen über parallel ausgerichtete N‐M‐Bindungen bindet, mit der kanonischen Nucleobase Thymin (T), die in Gegenwart von HgII deprotoniert wird und so die angehäufte positive Ladung der in geringem Abstand zueinander lokalisierten zweiwertigen Metallionen teilweise kompensiert, so dass das zweikernige T‐HgII2‐ϵA‐Basenpaar gebildet wird. Das metallvermittelte Basenpaar erhöht die Schmelztemperatur des untersuchten DNA‐Oligonucleotidduplexes um 8 °C. Die Bildung des Basenpaars wurde durch temperaturabhängige UV‐Spektroskopie sowie in Titrationsexperimenten mittels UV‐ und CD‐Spektroskopie gezeigt.
CpPEt2As4 – eine organosubstituierte As4‐Butterfly‐Verbindung
Authors: Heinl Sebastian , Balázs Gábor , Stauber Andreas , Scheer Manfred
Published: November 2016

CpPEt2As4 (CpPEt=C5(4‐EtC6H4)5) (1) wird durch die Reaktion von CpPEt.‐Radikalen mit gelbem Arsen (As4) synthetisiert. Dabei lässt sich ein Gleichgewicht der Ausgangsstoffe mit dem Produkt in Lösung beobachten. Jedoch kann 1 isoliert und als Feststoff ohne Zersetzung gelagert werden. As4 wird aus 1 unter thermischen oder photochemischen Bedingungen leicht abgegeben. Aus pulvrigen Proben von CpPEt2As4 kann gelbes Arsen unter relativ milden Bedingungen (T=125 °C) sublimiert werden. Ein ähnliches Verhalten wurde auch bei der verwandten Phosphorverbindung CpBIG2P4 (2; CpBIG=C5(4‐nBuC6H4)5) als P4‐abgebendes Reagenz festgestellt. Dichtefunktionalrechnungen zeigen, wie wichtig Dispersionskräfte für die Stabilität der Produkte sind.
Aryl(triethyl)silanes for Biaryl and Teraryl Synthesis by Copper(II)‐Catalyzed Cross‐Coupling Reaction
Authors: Komiyama Takeshi , Minami Yasunori , Hiyama Tamejiro
Published: November 2016

Aryl(triethyl)silanes are found to undergo cross‐coupling with iodoarenes in the presence of catalytic amounts of CuBr2 and Ph‐Davephos, as well as cesium fluoride as a stoichiometric base. Because the silicon reagents are readily accessible through catalytic C−H silylation of aromatic substrates, the net transformation allows coupling of aromatic hydrocarbons with iodoarenes via triethylsilylation.
Self‐Powered Multimodal Temperature and Force Sensor Based‐On a Liquid Droplet
Authors: Liu Kang , Zhou Yishu , Yuan Fang , Mo Xiaobao , Yang Peihua , Chen Qian , Li Jia , Ding Tianpeng , Zhou Jun
Published: November 2016

Herein we report a self‐powered multimodal temperature and force sensor based on the reverse electrowetting effect and the thermogalvanic effect in a liquid droplet. The deformation of the droplet and the temperature difference across the droplet can induce an alternating pulse voltage and a direct voltage, respectively, which is easy to separate/analyze and can be utilized to sense the external force and temperature simultaneously. In addition, an integral display system that can derive information from external temperature/force concurrently is constructed. Combined with advantages of excellent sensing properties and a simple structure, the droplet sensor has promising applications in a wide range of intelligent electronics.
Eine monoanionische Arsenid‐Quelle: Decarbonylierung des 2‐Arsaethinolat‐Anions bei der Reaktion mit Stannylenen
Authors: Hinz Alexander , Goicoechea Jose M.
Published: November 2016

Wir berichten über eine fundamentale Studie zur Reaktivität des 2‐Arsaethinolat‐Anions (AsCO−), einer Spezies, die erst kürzlich synthetisch zugänglich wurde. Die Reaktion von AsCO− gegenüber dem Stannylen Ter2Sn (Ter=Bis‐2,6‐(2,4,6‐trimethylphenyl)phenyl), die zur unerwarteten Bildung eines [Ter3Sn2As2]−‐Clusters führt, ist beschrieben. Auf dem Reaktionspfad zu diesem Cluster wurden verschiedene Intermediate identifiziert und charakterisiert. Nach der anfänglichen Assoziierung von AsCO− an Ter2Sn tritt Decarbonylierung ein, wodurch ein Anion mit einfach koordiniertem Arsen, [Ter2SnAs]−, gebildet wird. Diese beiden Spezies sind bei Raumtemperatur nicht stabil, und [Ter2SnAs]− durchläuft eine Umlagerung zu [TerSnAsTer]−, einem präzedenzlosen anionischen gemischten Gruppe‐14/15‐Alkenanalogon.
Modelling a Linker Mix‐and‐Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks
Authors: Grau‐Crespo Ricardo , Aziz Alex , Collins Angus W. , Crespo‐Otero Rachel , Hernández Norge C. , Rodriguez‐Albelo L. Marleny , Ruiz‐Salvador A. Rabdel , Calero Sofia , Hamad Said
Published: November 2016

Tuning the electronic structure of metal–organic frameworks is the key to extending their functionality to the photocatalytic conversion of absorbed gases. Herein we discuss how the band edge positions in zeolitic imidazolate frameworks (ZIFs) can be tuned by mixing different imidazole‐based linkers within the same structure. We present the band alignment for a number of known and hypothetical Zn‐based ZIFs with respect to the vacuum level. Structures with a single type of linker exhibit relatively wide band gaps; however, by mixing linkers of a low‐lying conduction edge with linkers of a high‐lying valence edge, we can predict materials with ideal band positions for visible‐light water splitting and CO2 reduction photocatalysis. By introducing copper in the tetrahedral position of the mixed‐linker ZIFs, it would be possible to increase both photo‐absorption and the electron–hole recombination times.
From Anthramycin to Pyrrolobenzodiazepine (PBD)‐Containing Antibody–Drug Conjugates (ADCs)
Authors: Mantaj Julia , Jackson Paul J. M. , Rahman Khondaker M. , Thurston David E.
Published: November 2016

The pyrrolo[2,1‐c][1,4]benzodiazepines (PBDs) are a family of sequence‐selective DNA minor‐groove binding agents that form a covalent aminal bond between their C11‐position and the C2‐NH2groups of guanine bases. The first example of a PBD monomer, the natural product anthramycin, was discovered in the 1960s, and the best known PBD dimer, SJG‐136 (also known as SG2000, NSC 694501 or BN2629), was synthesized in the 1990s and has recently completed Phase II clinical trials in patients with leukaemia and ovarian cancer. More recently, PBD dimer analogues are being attached to tumor‐targeting antibodies to create antibody–drug conjugates (ADCs), a number of which are now in clinical trials, with many others in pre‐clinical development. This Review maps the development from anthramycin to the first PBD dimers, and then to PBD‐containing ADCs, and explores both structure–activity relationships (SARs) and the biology of PBDs, and the strategies for their use as payloads for ADCs.
Microemulsions: Options To Expand the Synthesis of Inorganic Nanoparticles
Authors: Wolf Silke , Feldmann Claus
Published: November 2016

Microemulsions (MEs) are ideal for obtaining high‐quality inorganic nanoparticles. As thermodynamically stable systems with a nanometer‐sized droplet phase that serves as a nanoreactor, MEs have obvious advantages for the synthesis of nanoparticles. MEs also have disadvantages, such as their complexity as multicomponent systems, the low amount of obtainable nanoparticles, their limited thermal stability, the fact that hydrolyzable or oxidizable compounds are often excluded from synthesis, the partly elaborate separation of nanoparticles, as well as the removal of surface‐adhered surfactants subsequent to synthesis. This Review presents some strategies to further expand the options of ME‐based synthesis of inorganic nanoparticles. This comprises the crystallization of nanoparticles in “high‐temperature MEs”, the synthesis of hollow nanospheres, the use of hydrogen peroxide or liquid ammonia as the polar droplet phase, and the synthesis of base metals and nitrides in MEs.
NMR Spectroscopic Assignment of Backbone and Side‐Chain Protons in Fully Protonated Proteins: Microcrystals, Sedimented Assemblies, and Amyloid Fibrils
Authors: Stanek Jan , Andreas Loren B. , Jaudzems Kristaps , Cala Diane , Lalli Daniela , Bertarello Andrea , Schubeis Tobias , Akopjana Inara , Kotelovica Svetlana , Tars Kaspars , Pica Andrea , Leone Serena , Picone Delia , Xu Zhi‐Qiang , Dixon Nicholas E. , Martinez Denis , Berbon Mélanie , El Mammeri Nadia , Noubhani Abdelmajid , Saupe Sven , Habenstein Birgit , Loquet Antoine , Pintacuda Guido
Published: November 2016

We demonstrate sensitive detection of alpha protons of fully protonated proteins by solid‐state NMR spectroscopy with 100–111 kHz magic‐angle spinning (MAS). The excellent resolution in the Cα‐Hα plane is demonstrated for 5 proteins, including microcrystals, a sedimented complex, a capsid and amyloid fibrils. A set of 3D spectra based on a Cα–Hα detection block was developed and applied for the sequence‐specific backbone and aliphatic side‐chain resonance assignment using only 500 μg of sample. These developments accelerate structural studies of biomolecular assemblies available in submilligram quantities without the need of protein deuteration.
One‐Pot Synthesis of Unprotected Anomeric Glycosyl Thiols in Water for Glycan Ligation Reactions with Highly Functionalized Sugars
Authors: Köhling Sebastian , Exner Matthias P. , Nojoumi Saba , Schiller Jürgen , Budisa Nediljko , Rademann Jörg
Published: November 2016

Chemical synthesis of oligosaccharide conjugates is essential for studying the functional relevance of carbohydrates, and this task would be facilitated considerably if reliable methods for the anomeric ligation of unprotected sugars in water were available. Here, a method for the preparation of anomeric glycosyl thiols from complex unprotected mono‐, di‐, and oligosaccharides is presented. By exploiting the neighboring‐group effect of the 2‐acetamido‐group, 1,2‐oxazolines are generated and converted into 1‐glycosyl thioesters through treatment with 1‐thioacids. The unprotected anomeric glycosyl thiolates released in situ were conjugated to Michael acceptors, aliphatic halogenides, and aziridines to furnish versatile glycoconjugates. Conjugation of amino acids and proteins was accomplished using the thiol–ene reaction with terminal olefins. This method gives efficient access to anomeric glycosyl thiols and thiolates, which enables anomeric ligations of complex unprotected glycans in water.
Highly Intact and Pure Oxo‐Functionalized Graphene: Synthesis and Electron‐Beam‐Induced Reduction
Authors: Butz Benjamin , Dolle Christian , Halbig Christian E. , Spiecker Erdmann , Eigler Siegfried
Published: November 2016

Controlling the chemistry of graphene is necessary to enable applications in materials and life sciences. Research beyond graphene oxide is targeted to avoid the highly defective character of the carbon framework. Herein, we show how to optimize the synthesis of oxo‐functionalized graphene (oxo‐G) to prepare high‐quality monolayer flakes that even allow for direct transmission electron microscopy investigation at atomic resolution (HRTEM). The role of undesired residuals is addressed and sources are eliminated. HRTEM provides clear evidence for the exceptional integrity of the carbon framework of such oxo‐G sheets. The patchy distribution of oxo‐functionality on the nm‐scale, observed on our highly clean oxo‐G sheets, corroborates theoretical predictions. Moreover, defined electron‐beam irradiation facilitates gentle de‐functionalization of oxo‐G sheets, a new route towards clean graphene, which is a breakthrough for localized graphene chemistry.
Modified poly(vinyl alcohol)/chitosan blended membranes for isopropanol dehydration via pervaporation: Synthesis optimization and modeling by response surface methodology
Authors: Ghobadi Nakisa , Mohammadi Toraj , Kasiri Norollah , Kazemimoghadam Mansoor
Published: November 2016

Box–Behnken (BB) design of response surface methodology (RSM) was effectively applied to optimize fabrication conditions of modified poly(vinyl alcohol) (PVA) and chitosan (CS) blended pervaporation (PV) membranes. The PVA/CS membranes were crosslinked either by chemical reaction with glutaraldehyde (GA) or by heat‐treating at different temperatures. The main objectives were to determine the optimal levels of fabricating parameters and also to investigate interactions among the variables. CS content in the blended membranes, concentration of crosslinking agent and heat‐treating temperature were the fabrication parameters, the main effects and interaction effects of which on membrane structure and PV performance toward isopropanol (IPA)/water dehydration were investigated, and for which regression models were established. The modified PVA/CS blended membranes were characterized by means of scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR) as well as X‐ray diffraction (XRD). It was found that the CS content is the most significant factor influencing flux and separation factor among the three studied variables and the experimental results are in excellent accordance with predicted values from the developed RSM regression models. The RSM results indicated that under preparation conditions of 80 wt % CS in the blended membrane, 0.58 wt % GA concentration, and 77 °C heat‐treating temperature, the maximum separation factor of 5222.8 and the normalized flux of 9.407 kg µm/m2h can be acquired with feed content of 85 wt % IPA at 25 °C, showing that the prepared membrane is highly efficient for PV dehydration of IPA. The models were satisfactorily validated against experimental data. Furthermore, the optimum membrane presents excellent separation performance at different feed compositions and temperatures. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44587.
The Periosteum of the Zygomatic Arch: Vascularization and Growth
Authors: Herring Susan W. , Ochareon Pannee
Published: November 2016

In addition to conveying the forces of attaching muscles and ligaments to the zygomatic and temporal bones, the arch periosteum is responsible for lateral apposition and medial resorption during the growth period. In this contribution, we describe the vasculature of the zygomatic arch in young pigs (Sus scrofa dom.) in order to understand the relationship of osseous and periosteal vessels to each other, to surrounding tissues, and to patterns of modeling. Subjects 2–6 weeks of age were perfused with vascular fill; some also received the vital bone label calcein. Whole mounts were prepared of the decalcified bony arch and of its lateral periosteum. Undecalcified arches were plastic‐embedded and thick‐sectioned. Additional observations on cell replication were made using material from a previous study. The osseous and periosteal vascular supplies were largely independent, joined only by a fine network at the tissue interface. Osseous vessels entered the medial side of the arch through clusters of nutrient foramina. The intraosseous branching pattern resembled the direction of appositional growth, which in turn describes the disposition of bony trabeculae in older pigs. In contrast, vessels arrived at the periosteum via muscles and ligaments and thus its perfusion may partially depend on functional activity. The open weave of periosteal vessels bore little similarity to bone architecture, especially for the temporal bone, but the appositional lateral periosteum showed indications of angiogenesis, whereas the thinner, resorptive periosteum on the medial side featured composite, possibly fusing vessels at the bone surface. Anat Rec, 299:1661–1670, 2016. © 2016 Wiley Periodicals, Inc.
Review of In Vivo Bone Strain Studies and Finite Element Models of the Zygomatic Complex in Humans and Nonhuman Primates: Implications for Clinical Research and Practice
Authors: Prado Felippe Bevilacqua , Freire Alexandre Rodrigues , Cláudia Rossi Ana , Ledogar Justin A. , Smith Amanda L. , Dechow Paul C. , Strait David S. , Voigt Tilman , Ross Callum F.
Published: November 2016

The craniofacial skeleton is often described in the clinical literature as being comprised of vertical bony pillars, which transmit forces from the toothrow to the neurocranium as axial compressive stresses, reinforced transversely by buttresses. Here, we review the literature on bony microarchitecture, in vivo bone strain, and finite‐element modeling of the facial skeleton of humans and nonhuman primates to address questions regarding the structural and functional existence of facial pillars and buttresses. Available bone material properties data do not support the existence of pillars and buttresses in humans or Sapajus apella. Deformation regimes in the zygomatic complex emphasize bending and shear, therefore conceptualizing the zygomatic complex of humans or nonhuman primates as a pillar obscures its patterns of stress, strain, and deformation. Human fossil relatives and chimpanzees exhibit strain regimes corroborating the existence of a canine‐frontal pillar, but the notion of a zygomatic pillar has no support. The emerging consensus on patterns of strain and deformation in finite element models (FEMs) of the human facial skeleton corroborates hypotheses in the clinical literature regarding zygomatic complex function, and provide new insights into patterns of failure of titanium and resorbable plates in experimental studies. It is suggested that the “pillar and buttress” model of human craniofacial skeleton function be replaced with FEMs that more accurately and precisely represent in vivo function, and which can serve as the basis for future research into implants used in restoration of occlusal function and fracture repair. Anat Rec, 299:1753–1778, 2016. © 2016 Wiley Periodicals, Inc.