bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamische Verformungsmessungen an Eisenbahnbrücken mittels Mikrowelleninterferometrie
Authors: Firus Andrei , Schneider Jens , Becker Matthias , Grunert Günther , Pullamthara Jiny Jose
Published: October 2016

Die terrestrische Mikrowelleninterferometrie ist ein im Bauwesen noch wenig bekanntes Messverfahren, das die berührungslose Erfassung von Verformungen einer Struktur mit einer Genauigkeit bis in den Submillimeterbereich und einer Abtastrate von bis zu 4 kHz ermöglicht. Darüber hinaus bietet die Mikrowelleninterferometrie die Möglichkeit, das Bewegungsverhalten mehrerer Punkte entlang eines Profils zeitsynchron zu beobachten. Aufgrund der hohen Messrate kann auch die dynamische Strukturantwort aufgezeichnet werden, die unmittelbar zur Ableitung modaler Strukturkennwerte (Eigenfrequenzen, Dämpfungsmaße) genutzt werden kann, während die Entfernungsauflösung die direkte Ermittlung von Eigenformen ermöglicht. Dieser Beitrag gibt eine kurze Einführung in die Funktionsweise des Messverfahrens und erläutert Randbe dingungen und Grenzen der Messmethode hinsichtlich ihrer Anwendbarkeit bei dynamischen Messungen an Eisenbahn brücken. Die Erkenntnisse wurden anhand umfangreicher und systematischer experimenteller Untersuchungen in Zusammenarbeit mit der Deutschen Bahn AG gewonnen. Hieraus wurde eine Bewertungsmatrix erstellt, die die Eignung der Mikrowelleninterferometrie für unterschiedliche bahnspezifische Mess aufgaben an Baustrukturen veranschaulicht. In Teil 2 werden ausgewählte Messergebnisse im Vergleich mit konventionellen Messverfahren und dynamischen Strukturberechnungen gezeigt, die an Eisenbahnbrücken ermittelt und zur Validierung des Messverfahrens genutzt wurden.
Identification of non‐reported bupropion metabolites in human plasma
Authors: Connarn Jamie N. , Luo Ruijuan , Windak Jim , Zhang Xinyuan , Babiskin Andrew , Kelly Marisa , Harrington Gloria , Ellingrod Vicki L. , Kamali Masoud , McInnis Melvin , Sun Duxin
Published: October 2016

Bupropion and its three active metabolites exhibit clinical efficacy in the treatment of major depression, seasonal depression and smoking cessation. The pharmacokinetics of bupropion in humans is highly variable. It is not known if there are any non‐reported metabolites formed in humans in addition to the three known active metabolites. This paper reports newly identified and non‐reported metabolites of bupropion in human plasma samples. Human subjects were dosed with a single oral dose of 75 mg of an immediate release bupropion HCl tablet. Plasma samples were collected and analysed by LC–MS/MS at 0, 6 and 24 h. Two non‐reported metabolites (M1 and M3) were identified with mass‐to‐charge (m/z) ratios of 276 (M1, hydration of bupropion) and 258 (M3, hydroxylation of threo/erythrohydrobupropion) from human plasma in addition to the known hydroxybupropion, threo/erythrohydrobupropion and the glucuronidation products of the major metabolites (M2 and M4–M7). These new metabolites may provide new insight and broaden the understanding of bupropion's variability in clinical pharmacokinetics. © 2016 The Authors Biopharmaceutics & Drug Disposition Published by John Wiley & Sons Ltd.
Estimation of dielectric values for tissue water in the Terahertz range
Authors: Lajevardipour Alireza , Wood Andrew W. , McIntosh Robert L. , Iskra Steve
Published: October 2016

As the availability of Terahertz (THz) sources and their application expands, interaction with biological material needs to be well‐understood. In order to accurately estimate the energy absorption pattern in skin and other tissues in the THz and far Infrared regions, values of dielectric parameters ϵ and σ are required. We present an approach for tissue water, which uses literature values of complex refractive index for pure water together with some considerations regarding the effects of dissolved salts. The approach also involves modeling of Debye and Lorentz absorption parameters, which provides a method for the estimation of ϵ and σ in other tissues. Bioelectromagnetics. 37:563–567, 2016. © 2016 Wiley Periodicals, Inc.
Fluorescence spectra, fluorescence quantum yield and dissociation constant of sarafloxacin
Authors: Li Tongtong , Liu Baosheng , Duan Shaotong , Cui Mengmeng
Published: October 2016

In this study, the fluorescence spectra of sarafloxacin (SAR) under different pH conditions were investigated to determine the structural changes due to protonation that result from change in pH. At pH < 1.02, SAR exists in the H3L2+ form for which the maximum fluorescence emission wavelength was about 455 nm. At pH 1.87–4.94, SAR exists in the H2L+ form in which H3L2+ loses one proton in the nitrogen molecule at the 1‐position in the quinoline ring. Fluorescence intensity was strong and steady and the maximum emission wavelength was 458 nm. At pH 7.14–9.30, the maximum emission wavelengths were gradually blue shifted to 430 nm with increase in pH, here SAR exists in the form of a bipolar ion HL in which H2L+ loses a carboxyl group proton. At pH > 11.6, HL transforms into anionic L− in which HL loses one proton from the piperazine ring, leading to a decrease in fluorescence intensity, and the maximum emission wavelength was red shifted to approximately 466 nm. The two‐step dissociation constant pKa for SAR was calculated, pKa1 was 6.06 ± 0.37 and pKa2 for SAR was 10.53 ± 0.19. In a pH 3.62 buffer solution with quinine sulfate as the reference, the fluorescence quantum yield of SAR at the maximum excitation wavelength of 276 nm was 0.09.
Ex vivo culture of circulating tumor cells using magnetic force‐based coculture on a fibroblast feeder layer
Authors: Yamamoto Shuhei , Shimizu Kazunori , Fei Jiahui , Iwata Hiroji , Okochi Mina , Nakanishi Hayao , Honda Hiroyuki
Published: October 2016

Phenotype‐based analysis of circulating tumor cells (CTCs) is a promising approach to identification of new therapeutic targets and to elucidation of the biological properties. Nonetheless, ex vivo culturing of CTCs is still a technical challenge. Here, we develop a novel ex vivo culture method for CTCs using a fibroblast feeder layer and a magnetic coculture protocol. CTCs in the blood of a mouse metastasis model are labeled magnetically with magnetite nanoparticles. The labeled CTCs are isolated by a magnetic capture column and a size‐selective capture filter. The isolated CTCs are positioned on a fibroblast feeder layer by the magnetic force. As a result, we observe adhesion and proliferation of the CTCs under the conditions of the fibroblast feeder layer and the magnetic force, whereas no adhesion or proliferation is observed without the feeder layer. After that, we culture the CTCs and obtain three CTC‐derived cell lines. Using these cell lines, we perform phenotype‐based analyses of invasiveness and drug resistance and find that the CTC‐derived cell lines are more malignant than the original cells. Thus, the proposed method would be a promising approach to ex vivo culture of CTCs for phenotype‐based analysis, and possibly used in cancer treatment.
A droplet‐merging platform for comparative functional analysis of m1 and m2 macrophages in response to e. coli‐induced stimuli
Authors: Hondroulis Evangelia , Movila Alexandru , Sabhachandani Pooja , Sarkar Saheli , Cohen Noa , Kawai Toshihisa , Konry Tania
Published: October 2016

Microfluidic droplets are used to isolate cell pairs and prevent crosstalk with neighboring cells, while permitting free motility and interaction within the confined space. Dynamic analysis of cellular heterogeneity in droplets has provided insights in various biological processes. Droplet manipulation methods such as fusion and fission make it possible to precisely regulate the localized environment of a cell in a droplet and deliver reagents as required. Droplet fusion strategies achieved by passive mechanisms preserve cell viability and are easier to fabricate and operate. Here, we present a simple and effective method for the co‐encapsulation of polarized M1 and M2 macrophages with Escherichia coli (E. coli) by passive merging in an integrated droplet generation, merging, and docking platform. This approach facilitated live cell profiling of effector immune functions in situ and quantitative functional analysis of macrophage heterogeneity. Biotechnol. Bioeng. 2017;114: 705–709. © 2016 Wiley Periodicals, Inc.
Symmetry Breaking Nuclear Quadrupole Coupling Tensor Orientation for Cesium‐133 Nuclei Located in a Mirror Plane
Authors: Kim Tae Ho , Lee Kang Yeol , Kim Jineun
Published: October 2016

Simultaneous multiple data set fits of all transition peaks of
133Cs nuclei enabled us to obtain accurate cesium‐133 nuclear magnetic resonance (NMR) parameters and Euler angles between the principal axis systems of the chemical shift (CS) and quadrupole coupling (Q) tensors of
133Cs nuclei in Cs2CrO4
. Although in a previous study of Cs2CrO4
by Power et al. (W. P. Power, S. Mooibroek, R. E. Wasylishen, T. S. Cameron, J. Phys. Chem. 1994, 98, 1552), one central transition was observed for cesium sites 1 and 2 in the
133Cs NMR spectra and one Euler angle between the CS tensors and Q tensors was obtained as 52° and 7° for cesium sites 1 and 2, respectively, the present single‐crystal
133Cs NMR measurements found two Euler angles (10(2)°, 51.9(1)°, 0°) for site 1 and two central transition peaks for site 2. Three principal components of the CS tensor for Cs1 are oriented along the crystallographic a, b, and c axes, whereas none of the principal components of the Q tensor for Cs1 are oriented along the crystal axes. The principal component V
22 of the Q tensor for Cs1 is tilted 10° from the b axis in the bc plane, and the other two components are not located in the ac plane. Therefore, we have found that the requirement that “the quadrupole coupling tensor for a nucleus located in a mirror plane has one principal axis perpendicular to the mirror plane” cannot be applied to Cs1. On the other hand, δ11 and V
22 for Cs2 are aligned along the b axis, and the other components of the CS and Q tensors deviate at an angle of 1.4(1)° and 10.1(1)°, respectively, from the a and c axes in the ac plane. A distortion‐free powder 133Cs NMR spectrum of Cs2CrO4 was measured using a solid‐state spin echo technique.
The great importance of normalization of LC–MS data for highly‐accurate non‐targeted metabolomics
Authors: Mizuno Hajime , Ueda Kazuki , Kobayashi Yuta , Tsuyama Naohiro , Todoroki Kenichiro , Min Jun Zhe , Toyo'oka Toshimasa
Published: October 2016

The non‐targeted metabolomics analysis of biological samples is very important to understand biological functions and diseases. LC combined with electrospray ionization‐based MS has been a powerful tool and widely used for metabolomic analyses. However, the ionization efficiency of electrospray ionization fluctuates for various unexpected reasons such as matrix effects and intraday variations of the instrument performances. To remove these fluctuations, normalization methods have been developed. Such techniques include increasing the sensitivity, separating co‐eluting components and normalizing the ionization efficiencies. Normalization techniques allow simultaneously correcting of the ionization efficiencies of the detected metabolite peaks and achieving quantitative non‐targeted metabolomics. In this review paper, we focused on these normalization methods for non‐targeted metabolomics by LC–MS.
Sensory reanimation of the hand by transfer of the superficial branch of the radial nerve to the median and ulnar nerve
Authors: Schenck Thilo L. , Lin Shenyu , Stewart Jessica K. , Koban Konstantin C. , Aichler Michaela , Rezaeian Farid , Giunta Riccardo E.
Published: October 2016

Background

It remains a surgical challenge to treat high‐grade nerve injuries of the upper extremity. Extra‐anatomic reconstructions through the transfer of peripheral nerves have gained clinical importance over the past decades. This contribution outlines the anatomic and histomorphometric basis for the transfer of the superficial branch of the radial nerve (SBRN) to the median nerve (MN) and the superficial branch of the ulnar nerve (SBUN).

Methods

The SBRN, MN, and SBUN were identified in 15 specimens and the nerve transfer performed. A favorable site for coaptation was chosen and its location described using relevant anatomical landmarks. Histomorphometric characteristics of donor and target were compared to evaluate the chances of a clinical success.

Results

A suitable location for dissecting the SBRN was identified prior to its first bifurcation. Coaptations were possible near the pronator quadratus muscle, approximately 22 cm distal to the lateral epicondyle of the humerus. The MN and SBUN had to be dissected interfasciculary over 82 ± 5.7 mm and 49 ± 5.5 mm, respectively. Histomorphometric analysis revealed sufficient donor‐to‐recipient axon ratios for both transfers and identified the SBRN as a suitable donor with high axon density.

Conclusion

Our anatomic and histomorphometric results indicate that the SBRN is a suitable donor for the MN and SBUN at wrist level. The measurements show feasibility of this procedure and shall help in planning this sensory nerve transfer. High axon density in the SBRN identifies it or its branches an ideal candidate for sensory reanimation of fingers and thumbs.
Organizational Visibility, Stakeholder Environmental Pressure and Corporate Environmental Responsiveness in China
Authors: Yu Jieqiong , Lo Carlos Wing‐Hung , Li Pansy Hon Ying
Published: October 2016

This article investigates the relationship between organizational visibility and corporate environmental responsiveness in China. It also examines whether this relationship is mediated by stakeholder pressure, and whether the strength of the relationships among organizational visibility, stakeholder pressures and corporate environmental responsiveness is moderated by the type of enterprise ownership. Based on the responses from a survey involving 131 enterprises, this study suggests a potentially positive and significant correlation between organizational visibility and corporate environmental responsiveness in China. However, the study reveals surprisingly that stakeholder pressure for environmental improvements does not seem to account for the above correlation. Organizational visibility is found to be negatively associated with stakeholder pressure in the case of Chinese‐owned enterprises, and stakeholder pressure has no significant associations with corporate environmental responsiveness. In addition, the moderating effect of enterprise ownership is strongly evidenced, which provides important policy implications for developing effective mechanisms to stimulate environmental management practices. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
The Governance of Corporate Responses to Climate Change: An International Comparison
Authors: Sullivan Rory , Gouldson Andy
Published: October 2016

In response to pressures from governments, investors, non‐governmental organizations and other stakeholders, many large corporations have adopted a variety of carbon and energy management practices, taken action to reduce their emissions and set targets to reduce their greenhouse gas emissions. Using the case of international retailers, this article examines whether, and under what conditions, non‐state actors might be capable of assuming the governance roles that have historically been played by national governments.

This article concludes that external governance pressures can, if they are aligned, robust and of sufficient duration, have a significant influence on internal governance processes and on corporate strategies and actions. However, the specific actions that are taken by companies – in particular those that require significant capital investments – are constrained by the ‘business case’. That is, companies will generally only invest capital in situations when there is a clear financial case (i.e. where the benefits outweigh the costs, when the rate of return meets or exceeds company targets) for action.

That is, the extent to which external governance pressures can force companies to take action, in particular challenging or transformative actions that go beyond the boundaries of the business case, is not at all clear. This is particularly the case if the business case weakens, or if the opportunities for incremental change are exhausted. In that context, the power of non‐state actors to force them to consider radical changes in their business processes and their use of energy therefore seems to be very limited. Copyright © 2016 The Authors. Business Strategy and the Environment published by ERP Environment and John Wiley & Sons Ltd
Risk of skeletal related events among elderly prostate cancer patients by site of metastasis at diagnosis
Authors: Hussain Arif , Aly Abdalla , Daniel Mullins C. , Qian Yi , Arellano Jorge , Onukwugha Eberechukwu
Published: October 2016

The purpose of this study was to estimate the risk of developing skeletal‐related events (SREs) based on site of metastasis at diagnosis and identify other predictors of developing SREs among metastatic prostate cancer patients. We conducted a retrospective cohort study using linked SEER (Surveillance, Epidemiology, and End Results) and Medicare data and identified men over the age of 65 with incident metastatic prostate cancer diagnosed during 2005–2009. SREs included radiation (RAD), pathological fractures (PF), bone surgery (BS), and spinal cord compression (SCC). The association between site of metastasis at diagnosis and SRE was examined using a Cox proportional hazards model that accounts for death as a competing risk. Among 4404 men (median age: 79 years) with incident metastatic prostate cancer, 44% experienced SREs at a median of 9.6 months post diagnosis. Compared to bone metastasis only, our model showed that patients were significantly less likely to develop SREs if they had LN‐only metastasis at diagnosis (Sub‐Hazard Ratio [SHR] 0.56; 95% Confidence Interval [CI]: 0.43–0.72) or unknown site of metastasis (SHR: 0.79; CI: 0.64–0.97). Other predictors of reduced SRE risk were age 80+ years (SHR: 0.83; CI: 0.75–0.91), non‐Hispanic Black (SHR: 0.77; CI: 0.65–0.90), or being diagnosed in year 2009 (SHR: 0.85; CI: 0.72–0.99). Patients were significantly more likely to develop SREs if they received androgen deprivation therapy (SHR: 1.73; CI: 1.48–2.02) or had Gleason score 8–10 disease (SHR: 0.79; CI: 0.64–0.97). Compared to patients who present with bone metastasis only at diagnosis, patients presenting with other metastatic sites have similar risk of developing SREs, with the exception of those presenting with lymph node only metastasis who have a significantly reduced risk of SREs.
Limit risks, improve safety by addressing aging equipment, facilities
Authors: O'Brien Timothy
Published: October 2016

College athletics departments' continued use of aging facilities and equipment raises critical fiscal and legal issues.
Sodium channel blockade unmasked Brugada electrocardiographic pattern in a patient with complete right bundle branch block and early repolarization in the lateral leads
Authors: Konishi Shozo , Minamiguchi Hitoshi , Okuyama Yuji , Sakata Yasushi
Published: October 2016

Key Clinical Message

Early repolarization syndrome (ERS) and Brugada syndrome (BrS) share many electrocardiographic and clinical features, and recently have been collectively grouped as J wave syndrome. However, the effects of sodium channel blockers on the J waves differ greatly between ERS and BrS.
Live birth in a 46‐year‐old woman using microdose GnRH agonist flare‐up protocol combined with GnRH antagonist: a case report
Authors: Zhang Hong , Liu Ya‐Qiong , Lu Guang‐Xiu , Gong Fei
Published: October 2016

Key Clinical Message

Few successful pregnancies after age 45 years with low ovarian reserve have been reported. We report a 46‐year‐old woman with basal FSH 20.36 mIU/mL and an antral follicle count of four obtained two embryos and delivered a healthy infant with IVF using a microdose GnRH‐a flare‐up protocol combined with GnRH‐ant.
Myopotential oversensing notified by Lead Integrity Alert in a patient with implantable cardioverter defibrillator with a dedicated bipolar epicardial sensing lead
Authors: Yazaki Kyoichiro , Ajiro Yoichi , Hasegawa Shun , Watanabe Masahiro , Tsukamoto Kei , Mizobuchi Keiko , Saito Takashi , Mori Fumiaki , Iwade Kazunori
Published: October 2016

Key Clinical Message

Although myopotential oversensing by a dedicated bipolar lead is rare, an epicardial lead on a dilated ventricle might contribute to its sensitivity. Myopotential oversensing was notified by the Lead Integrity Alert in this case. We should be aware of this possibility for the management of such patients.
Multiple primary cutaneous plasmacytoma a decade after a nasal solitary extramedullary plasmacytoma: a puzzling case
Authors: González‐Calle Verónica , Jorge‐Finnigan Conrado , Santos‐Durán Juan Carlos , López‐Cadenas Felix , Ocio Enrique María , García‐Sanz Ramón , Santos‐Briz Ángel , Fernández‐López Emilia , San Miguel Jesús , Mateos María‐Victoria , Román‐Curto Concha
Published: October 2016

Key Clinical Message

Primary cutaneous plasmacytoma should be in the differential diagnosis in case of solitary or multiple erythematous–violaceous nodules or papules. The diagnosis relies on clinical, histological, and immunochemical findings, without underlying evidence of multiple myeloma. Treatment should be individualized, and agents such as bortezomib or lenalidomide have shown to be effective.
Abdominal epilepsy, an uncommon cause of chronic and recurrent abdominal pain: a case report
Authors: Mpondo Bonaventura C. T. , Mwasada Godfrey , Nyundo Azan A.
Published: October 2016

Key Clinical Message

Abdominal epilepsy is an uncommon cause of paroxysmal abdominal pain. It is relatively common in children, but very rare in adults. We report a case of 38‐year‐old, who reported with recurrent abdominal pain for 2 years. Electroencephalography confirmed the diagnosis; he responded well to carbamazepine and remains symptom‐free on follow‐up.
Palmar rash in a teenager: more than meets the eye
Authors: Sousa Rodrigo , Contreiras Marta , Costa Lima Sofia , Oom Paulo
Published: October 2016

Key Clinical Message

Despite being an uncommon disease in pediatrics, the incidence of syphilis has increased in the last years both in Europe and in the United States. Upon a suggestive clinical presentation, especially if including genital lesions and palmar rash, secondary syphilis must be included in the differential diagnosis.
A case of central diabetes insipidus associated with cardiac dysfunction
Authors: Ohara Nobumasa , Kaneko Masanori , Suwabe Tatsuya , Yoshie Tasuku , Kuwano Hiroyuki , Ebe Katsuya , Fujita Toshio , Fuse Koichi , Kaneko Kenzo , Kamoi Kyuzi
Published: October 2016

Key Clinical Message

Central diabetes insipidus (CDI) results from a deficiency of arginine vasopressin (AVP) secretion. It is treated by replacement therapy with the synthetic AVP analogue desmopressin. To prevent heart failure in patients with CDI accompanied by cardiac dysfunction, controlling sodium and water intake is essential, using the minimum effective dose of desmopressin.
Cobalt/Nitrogen‐Doped Porous Carbon Nanosheets Derived from Polymerizable Ionic Liquids as Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reaction
Authors: Gao Jian , Ma Na , Zheng Yumei , Zhang Jiafeng , Gui Jianzhou , Guo Chunkai , An Huiqin , Tan Xiaoyao , Yin Zhen , Ma Ding
Published: October 2016

Development of efficient catalysts with low cost for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) has been a long‐term pursuit because of their vital role in renewable‐energy technologies including fuel cells and water splitting. Herein, based on polymerizable ionic liquids (PILs) functionalized with nitrate groups as pore former and precursor of C and N, a facile one‐pot thermal treatment method was developed to construct a hybrid electrocatalyst consisting of earth‐abundant materials, which was made of Co‐based nanoparticles (NPs) grown on 2 D N‐doped and macroporous carbon nanosheets (pCNs) of approximately 20–50 nm thickness, that is, Co–N‐pCNs. The obtained Co–N‐pCNs catalyst manifests enhanced catalytic performance for both ORR and OER, even compared with the best‐known commercial catalysts, such as Pt/C and IrO2. The enhanced catalytic activity arises from the 2 D nanosheets and porous structures, well‐dispersed Co‐based NPs on the carbon sheets, the introduction of electron‐rich nitrogen, and the stability by the carbon protection of Co‐based NPs between the interlayers of nanosheets. Our present work supplies a novel opportunity for exploring 2 D non‐precious‐metal catalysts for ORR and OER.
Modeling and Simulation of Hydrodynamic Bubble‐Liquid Turbulent Flows in Bubble‐Column Reactors
Authors: Li Xiangli , Li Guohui
Published: October 2016

Bubble dispersion characteristics play an important role in heat and mass transfer of bubble‐liquid two‐phase turbulent flows in bubble‐column reactors. In order to quantitatively describe the influence of operation conditions and sparger design on two‐phase turbulent hydrodynamics in terms of a computational fluid dynamics approach, a second‐order moment bubble‐liquid two‐phase turbulent model was developed to predict the effects of superficial gas velocity, liquid and gas density, liquid dynamic viscosity, and sparger nozzle configuration on bubble‐liquid hydrodynamics, e.g., bubble volume fraction, turbulent kinetic energy, and turbulent kinetic energy dissipation. Bubble dispersion behavior was found to be a complex function of industrial operations and sparger configuration parameters.
Strategy Elements for a Sustainable Bioenergy Policy Based on Scenarios and Systems Modeling: Germany as Example
Authors: Thrän Daniela , Arendt Oliver , Banse Martin , Braun Julian , Fritsche Uwe , Gärtner Sven , Hennenberg Klaus J. , Hünneke Katja , Millinger Markus , Ponitka Jens , Rettenmaier Nils , Schaldach Rüdiger , Schüngel Jan , Wern Bernhard , Wolf Verena
Published: October 2016

Bioenergy is an important renewable energy carrier with uncertainties in future development due to sustainability issues. Its further development requires a robust bioenergy strategy on a national level. To provide these strategy elements, a dedicated approach was developed, which includes a new modeling framework, an impact assessment, and stakeholder involvement. Demonstrating the approach on the example of Germany, four bioenergy utilization scenarios for a period up to 2050 have been assessed using seven indicators that cover aspects from local infrastructure to global food security. The devised strategy elements address the national and international feedstock supply, promising fields of utilization, and appropriate frame conditions. The results coherently focus on a wide range of policy fields, which has not been possible in the past.
Design of PdAg Hollow Nanoflowers through Galvanic Replacement and Their Application for Ethanol Electrooxidation
Authors: Bin Duan , Yang Beibei , Zhang Ke , Wang Caiqin , Wang Jin , Zhong Jiatai , Feng Yue , Guo Jun , Du Yukou
Published: October 2016

In this study, galvanic replacement provides a simple route for the synthesis of PdAg hollow nanoflower structures by using the Ag‐seeds as sacrificial templates in the presence of l‐ascorbic acid (reductant) and CTAC (capping agent). Transmission electron microscopy (TEM), scanning electron microscopy (SEM), X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), and EDS mapping were used to characterize the as‐prepared PdAg hollow nanoflower catalysts, where they were alloyed nanoflower structures with hollow interiors. By maneuvering the Pd/Ag ratio, we found that the as‐prepared Pd1Ag3 hollow nanoflower catalysts had the optimized performance for catalytic activity toward ethanol oxidation reaction. Moreover, these as‐prepared PdAg hollow nanoflower catalysts exhibited noticeably higher electrocatalytic activity as compared to pure Pd and commercial Pd/C catalysts due to the alloyed Ag–Pd composition as well as the hollow nanoflower structures. It is anticipated that this work provides a rational design of other architecturally controlled bimetallic nanocrystals for application in fuel cells.
Recent Advances in the Chemistry and Biology of Podophyllotoxins
Authors: Yu Xiang , Che Zhiping , Xu Hui
Published: October 2016

Podophyllotoxin and its related aryltetralin cyclolignans belong to a family of important products that exhibit various biological properties (e.g., cytotoxic, insecticidal, antifungal, antiviral, anti‐inflammatory, neurotoxic, immunosuppressive, antirheumatic, antioxidative, antispasmogenic, and hypolipidemic activities). This Review provides a survey of podophyllotoxin and its analogues isolated from plants. In particular, recent developments in the elegant total chemical synthesis, structural modifications, biosynthesis, and biotransformation of podophyllotoxin and its analogues are summarized. Moreover, a deoxypodophyllotoxin‐based chemosensor for selective detection of mercury ion is described. In addition to the most active podophyllotoxin derivatives in each series against human cancer cell lines and insect pests listed in the tables, the structure–activity relationships of podophyllotoxin derivatives as cytotoxic and insecticidal agents are also outlined. Future prospects and further developments in this area are covered at the end of the Review. We believe that this Review will provide necessary information for synthetic, medicinal, and pesticidal chemistry researchers who are interested in the chemistry and biology of podophyllotoxins.
New 3 D Tubular Porous Structure of an Organic–Zincophosphite Framework with Interesting Gas Adsorption and Luminescence Properties
Authors: Wang Chih‐Min , Lee Li‐Wei , Chang Tsung‐Yuan , Fan Bing‐Lun , Wang Chih‐Ling , Lin Hsiu‐Mei , Lu Kuang‐Lieh
Published: October 2016

A new 3D tubular zinc phosphite, Zn2(C22H22N8)0.5(HPO3)2⋅H2O (1), incorporating a tetradentate organic ligand was synthesized under hydro(solvo)thermal conditions and structurally characterized by single‐crystal X‐ray diffraction. Compound 1 is the first example of inorganic zincophosphite chains being interlinked through 1,2,4,5‐tetrakis(imidazol‐1‐ylmethyl)benzene to form a tubular porous framework with unusual organic–inorganic hybrid channels. The thermal and chemical stabilities, high capacity for CO2 adsorption compared to that for N2 adsorption, and interesting optical properties of LED devices fabricated using this compound were also studied.
Carboxylic Acids as Directing Groups for C−H Bond Functionalization
Authors: Pichette Drapeau Martin , Gooßen Lukas J.
Published: October 2016

The selective transformation of C−H bonds is one of the most desirable approaches to creating complexity from simple building blocks. Several directing groups are efficient in controlling the regioselectivity of catalytic C−H bond functionalizations. Among them, carboxylic acids are particularly advantageous, since they are widely available in great structural diversity and at low cost. The carboxylate directing groups can be tracelessly cleaved or may serve as the anchor point for further functionalization through decarboxylative couplings. This Minireview summarizes the substantial progress made in the last few years in the development of reactions in which carboxylate groups direct C−H bond functionalizations with formation of C−C, C−O, C−N, or C−halogen bonds at specific positions. It is divided into sections on C−C, C−O, C−N, and C−halogen bond formation, each of which is subdivided by reactions and product classes. Particular emphasis is placed on methods that enable multiple derivatizations by combining carboxylate‐directed C−H functionalization with decarboxylative couplings.
Enantioselective Stereodivergent Nucleophile‐Dependent Isothiourea‐Catalysed Domino Reactions
Authors: Matviitsuk Anastassia , Taylor James E. , Cordes David B. , Slawin Alexandra M. Z. , Smith Andrew D.
Published: October 2016

α,β‐Unsaturated acyl ammoniums generated from the reaction of α,β‐unsaturated 2,4,6‐trichlorophenol (TCP) esters bearing a pendent enone with an isothiourea organocatalyst are versatile intermediates in a range of enantioselective nucleophile‐dependent domino processes to form complex products of diverse topology with excellent stereoselectivity. Use of either 1,3‐dicarbonyls, acyl benzothiazoles, or acyl benzimidazoles as nucleophiles allows three distinct, diastereodivergent domino reaction pathways to be accessed to form various fused polycyclic cores containing multiple contiguous stereocentres.
“Shine & Click” Photo‐Induced Interfacial Unmasking of Strained Alkynes on Small Water‐Soluble Gold Nanoparticles
Authors: Luo Wilson , Gobbo Pierangelo , McNitt Christopher D. , Sutton Dewey A. , Popik Vladimir V. , Workentin Mark S.
Published: October 2016

In this study, we report the design, synthesis, and characterization of small 3 nm water soluble gold nanoparticles (AuNPs) that feature cyclopropenone‐masked strained alkyne moieties capable of undergoing interfacial strain‐promoted cycloaddition (i‐SPAAC) with azides after exposure to UV‐A light. A strained alkyne precursor was incorporated onto AuNPs by direct ligand exchange of a thiol‐modified cyclopropenone‐masked dibenzocyclooctyne (photoDIBO) ligand. These photoDIBO‐AuNPs were characterized by 1H NMR, IR, and UV/Vis spectroscopy, as well as transmission electron microscopy (TEM) and thermogravimetric analysis (TGA), and the extent of modification was quantified. Upon irradiation with UV‐A light, photoDIBO‐AuNPs underwent efficient and quantitative regeneration of the parent strained alkyne by photochemical decarbonylation to afford DIBO‐derivatized AuNPs. DIBO‐AuNPs were found to react cleanly and rapidly (k=5.3×10−2 m−1 s−1) by an interfacial strain‐promoted alkyne‐azide cycloadditon (i‐SPAAC) with benzyl azide, which served as a simple model system. Furthermore, DIBO‐AuNPs were reacted with various azides and a nitrone (interfacial strain‐promoted alkyne‐nitrone cycloaddition, i‐SPANC) to showcase the generality of this approach for the facile modification of AuNP surfaces and their properties. The cyclopropenone‐based photo‐triggered click chemistry at the interface of water‐soluble AuNPs offers exciting opportunities for the atom‐by‐atom control and assembly of functional materials for applications in materials and biomaterials science as well as in chemical biology.
Exploring Redox States, Doping and Ordering of Electroactive Star‐Shaped Oligo(aniline)s
Authors: Mills Benjamin M. , Fey Natalie , Marszalek Tomasz , Pisula Wojciech , Rannou Patrice , Faul Charl F. J.
Published: October 2016

We have prepared a simple star‐shaped oligo(aniline) (TDPB) and characterised it in detail by MALDI‐TOF MS, UV/Vis/NIR spectroscopy, time‐dependent DFT, cyclic voltammetry and EPR spectroscopy. TDPB is part of an underdeveloped class of π‐conjugated molecules with great potential for organic electronics, display and sensor applications. It is redox active and reacts with acids to form radical cations. Acid‐doped TDPB shows behaviour similar to discotic liquid crystals, with X‐ray scattering investigations revealing columnar self‐assembled arrays. The combination of unpaired electrons and supramolecular stacking suggests that star‐shaped oligo(aniline)s like TDPB have the potential to form conducting nanowires and organic magnetic materials.
Nanoparticle‐Assisted Affinity NMR Spectroscopy: High Sensitivity Detection and Identification of Organic Molecules
Authors: Diez‐Castellnou Marta , Salvia Marie‐Virginie , Springhetti Sara , Rastrelli Federico , Mancin Fabrizio
Published: October 2016

A simple and effective method for high‐sensitivity NMR detection of selected compounds is reported. The method combines 1D NMR diffusion filter experiments and small monolayer‐protected nanoparticles as high‐affinity receptors. Once bound to the nanoparticles, the diffusion coefficient of the analyte decreases in such way that spectral editing based on diffusion filters can separate its signals from those of other mixture components. Using nanoparticles functionalized with Zn2+‐triazacyclonane complexes, detection and identification of phosphorylated organic molecules can be achieved. Diphenyl phosphate can be detected at 25 micromolar concentration with good selectivity. The selectivity toward organic carboxylates is enhanced at pD=3.75. In these conditions, commercial tablets containing betamethasone phosphate and a large excess of benzoate could be successfully analyzed.
Adsorption of Metallocenes on Silica
Authors: Cluff Kyle J. , Blümel Janet
Published: October 2016

The adsorption of the metallocenes ferrocene, doubly deuterated ferrocene, cymantrene and nickelocene, as well as molybdenum hexacarbonyl, proceeds in the absence of a solvent. Large single pieces of silica gel were placed in contact with the solid metallocenes and the adsorption process was visualized on a macroscopic scale and the maximal loadings were determined. 1H, 2H, and 13C solid‐state NMR studies confirmed fast isotropic reorientation of the surface‐adsorbed metallocene molecules within the pores of the silica. All prevalent anisotropic solid‐state interactions were averaged out. The solid diamagnetic and paramagnetic materials were amenable to measurements with a standard solution NMR instrument. All metallocenes adsorbed in a monolayer. In the case of ferrocene and cymantrene, different 13C MAS signals were obtained for the cyclopentadienyl ring carbon nuclei and assigned to one ring interacting with the surface and one ring pointing away from it. The relative adsorption strengths of ferrocene on different silica supports, nanotubes, and activated carbon were determined by a novel straightforward method recording the desorption temperature. The reversibility of adsorption has been demonstrated by competition experiments using ferrocene, doubly deuterated ferrocene, and cymantrene. Adsorbed nickelocene could be reduced to small Ni0 aggregates on the surface and the catalytic activity of the resulting material for the cyclotrimerization of phenylacetylene was proven.
High‐Nuclear Organometallic Copper(I)–Alkynide Clusters: Thermochromic Near‐Infrared Luminescence and Solution Stability
Authors: Zhuo Hong‐Yan , Su Hai‐Feng , Cao Zhao‐Zhen , Liu Wei , Wang Shu‐Ao , Feng Lei , Zhuang Gui‐Lin , Lin Shui‐Chao , Kurmoo Mohamedally , Tung Chen‐Ho , Sun Di , Zheng Lan‐Sun
Published: October 2016

Cu(CF3COO)2 reacts with tert‐butylacetylene (tBuC≡CH) in methanol in the presence of metallic copper powder to give two air‐stable clusters, [CuI15(tBuC≡C)10(CF3COO)5]⋅tBuC≡CH (1) and [CuI16(tBuC≡C)12(CF3COO)4(CH3OH)2] (2). The assembly process involves in situ comproportionation reaction between Cu2+ and Cu0 and the formation of two different clusters is controlled by reactants concentration. The clusters consist of Cu15 and Cu16 cores co‐stabilized by strong by σ‐ and π‐bonded tert‐butylethynide and CF3COO− (together with methanol molecule in 2). Their stabilities in solution were confirmed using electrospray ionization mass spectrometry in which the cluster core remains intact for 1 in chloroform and acetone, and for 2 in acetonitrile. Strong thermochromic luminescence in the near infrared (NIR) region was observed in the solid‐state. Of particular interest, the emission maximum of 1 is red‐shifted from 710 nm at 298 K to 793 nm at 93 K, along with a 17‐fold fluorescence enhancement. In contrast, 2 exhibits red shift from 298 to 123 K followed by blue shift from 123 to 93 K. The emission wavelength was correlated with the structural parameters using variable‐temperature X‐ray single‐crystal analyses. The rich cuprophilic interaction plays a significant role in the formation of 3LMCT (tBuC≡C→Cux) excited state mixed with cluster‐centered (3CC) characters, which can be considerably influenced by temperature, leading to thermochromic luminescence. The present work provides 1) a new synthetic protocol for the high‐nuclear CuI–alkynyl clusters; 2) a comprehensive insight into the mechanism of thermochromic luminescence; 3) unusual emissive materials with the characters of NIR and thermochromic luminescence simultaneously.
Template‐Free Synthesis of Nanorod‐Assembled Hierarchical Zn1−xMnxS Hollow Nanostructures with Enhanced Pseudocapacitive Properties
Authors: Jin Ying , Xu Jiaying , Wang Lanfang , Lu Qingyi , Gao Feng
Published: October 2016

Mixed‐metal sulfide Zn1−xMnxS nanorod‐assembled hierarchical hollow spheres were synthesized by a template‐free solvothermal process based on Ostwald ripening. In the reaction system, glycerol plays a key role in the formation of ZnxMn1−xS hierarchical hollow structures by a quasi‐microemulsion‐template mechanism. When applied as capacitor electrode material, the hierarchical Zn1−xMnxS hollow spheres show excellent electrochemical performance. Specifically, Zn0.25Mn0.75S hollow spheres can deliver a high specific capacitance of 664 F g−1 at a current rate of 1 A g−1, which is almost five times of that of MnS under the same conditions and higher than those of previously reported single Mn‐based compounds.
A Highly Efficient Copper‐Mediated Radioiodination Approach Using Aryl Boronic Acids
Authors: Zhang Pu , Zhuang Rongqiang , Guo Zhide , Su Xinhui , Chen Xiaoyuan , Zhang Xianzhong
Published: October 2016

A convenient and quantitative radioiodination method by copper‐mediated cross‐coupling of aryl boronic acids was developed. The mild labeling conditions, ready availability of the boronic acid substrate, simple operation, broad functional group tolerance and excellent radiochemical yield (RCY) make this a practical strategy for radioiodine labeling without further purification.
Two‐Dimensional Cobalt‐/Nickel‐Based Oxide Nanosheets for High‐Performance Sodium and Lithium Storage
Authors: Zhang Dan , Sun Wenping , Chen Zhihui , Zhang Yu , Luo Wenbin , Jiang Yinzhu , Dou Shi Xue
Published: October 2016

Two‐dimensional (2D) nanomaterials are one of the most promising types of candidates for energy‐storage applications due to confined thicknesses and high surface areas, which would play an essential role in enhanced reaction kinetics. Herein, a universal process that can be extended for scale up is developed to synthesise ultrathin cobalt‐/nickel‐based hydroxides and oxides. The sodium and lithium storage capabilities of Co3O4 nanosheets are evaluated in detail. For sodium storage, the Co3O4 nanosheets exhibit excellent rate capability (e.g., 179 mA h g−1 at 7.0 A g−1 and 150 mA h g−1 at 10.0 A g−1) and promising cycling performance (404 mA h g−1 after 100 cycles at 0.1 A g−1). Meanwhile, very impressive lithium storage performance is also achieved, which is maintained at 1029 mA h g−1 after 100 cycles at 0.2 A g−1. NiO and NiCo2O4 nanosheets are also successfully prepared through the same synthetic approach, and both deliver very encouraging lithium storage performances. In addition to rechargeable batteries, 2D cobalt‐/nickel‐based hydroxides and oxides are also anticipated to have great potential applications in supercapacitors, electrocatalysis and other energy‐storage‐/‐conversion‐related fields.
Cationic Bismuth Amides: Accessibility, Structure, and Reactivity
Authors: Dengel Hannah , Lichtenberg Crispin
Published: October 2016

The synthetic access to cationic bismuth compounds based on simple, monodentate, synthetically useful amido ligands, [Bi(NR2)2(L)n]+, has been investigated (R=Me, iPr, Ph; L=neutral ligand). With [BPh4]− as a counteranion, the formation of contact ion pairs and subsequent phenyl transfer from B to Bi is observed. An intermediate of this reaction, [Bi(NMe2)2(HNMe2)(BPh4)] (1), could be isolated and fully characterized. The use of a fluorinated tetraarylborate as a counteranion leads to more stable cationic bismuth amides. The solvent‐separated ion pairs [Bi2(μ2‐NMe2)2(NMe2)2(thf)6]2+ (4) and [Bi(NiPr2)2(thf)3]+ (5) were fully characterized, with [B(3,5‐C6H3(CF3)2)4]− anions balancing the positive charge. The coordination chemistry, aggregation in solution, and spectroscopic features of these compounds were investigated. Compounds 4 and 5 show an increased reactivity towards diisopropylcarbodiimide compared to their neutral parent compounds. These reactions result in formation of the first cationic bismuth guanidinates. Characterization techniques include 1H, 11B, 13C, 15N, 19F, and 31P (VT)NMR and IR spectroscopy, single crystal X‐ray diffraction analysis, and DFT calculations.
Ionic Liquids and Poly(ionic liquid)s for Morphosynthesis of Inorganic Materials
Authors: Gao Min‐Rui , Yuan Jiayin , Antonietti Markus
Published: October 2016

Ionic liquids (ILs) are new, innovative ionic solvents with rich physicochemical properties and intriguing pre‐organized solvent structures; these materials offer great potential to impact across versatile areas of scientific research, for example, synthetic inorganic chemistry. Recent use of ILs as precursors, templates, and solvents has led to inorganic materials with tailored sizes, dimensionalities, morphologies, and functionalities that are difficult to obtain, or even not accessible, by using conventional solvents. Poly(ionic liquid)s (PILs) polymerized from IL monomers also raise the prospect of modifying nucleation, growth, and crystallization of inorganic objects, shedding light on the synthesis of a wide range of new materials. Here we survey recent key progress in using ILs and PILs in the field of synthetic inorganic chemistry. As well as highlighting the unique features of ILs and PILs that enable advanced synthesis, the effects of adding other solvents to the final products, along with the emerging applications of the created inorganic materials will be discussed. We finally provide an outlook on several development opportunities that could lead to new advancements of this exciting research field.
ChemInform Abstract: Redetermination of the Crystal Structure of NbF4.
Authors: Bandemehr Jascha , Conrad Matthias , Kraus Florian
Published: October 2016

Single crystals of NbF4 are prepared by disproportionation of Nb2F5 (Nb Tube in evacuated silica tubes, 1273 K, 2 d) and by solid state reaction of Nb and NbF5 (1073 K, 2 d; heating rate of 16 K/h).
ChemInform Abstract: Pressure‐Induced Electron Phase Transitions of α‐As2Te3.
Authors: Ma Yanmei , et al.
Published: October 2016

The title material is used in a diamond‐anvil cell for in situ angle dispersive synchrotron XRD up to 47.6 GPa at 25 °C to evaluate its structural stability.
ChemInform Abstract: Fused Perovskite Tunnel Structures in Ba5Fe6+S4+O8 (0.44 ≤ x ≤ 0.55) with x‐Dependent Two‐Stage Magnetizations.
Authors: Wright Taylor , Prots Yurii , Valldor Martin
Published: October 2016

Polycrystalline samples of Ba5Fe6+xS4+xO8 (x = 0.44—0.55) are prepared by solid state reaction of stoichiometric amounts of BaO, Fe2O3 and S (Al2O3 crucible in evacuated silica tubes, 800 °C, 70 h).
ChemInform Abstract: Magnetic Properties and Giant Reversible Magnetocaloric Effect in GdCoC2.
Authors: Meng Lingjian , Xu Chi , Yuan Ye , Qi Yang , Zhou Shengqiang , Li Lingwei
Published: October 2016

The title compound is obtained by arc melting of stoichiometric amounts of the elements followed by annealing at 900 °C for six days.
ChemInform Abstract: Asymmetric Synthesis of Nature‐Inspired Bioactive Spiro Compounds Through Organocatalytic Diels—Alder Reactions.
Authors: Ramachary Dhevalapally B. , Krishna Patoju M.
Published: October 2016

For the first time, a highly stereoselective three‐component Diels—Alder reaction of arylideneacetones, aryl aldehydes and 1,3‐indanone using a Barbas dienamine strategy is reported.
ChemInform Abstract: Synthesis of Cyclopentachromans by N‐Heterocyclic Carbene‐Mediated Homoenolate Annulation of Chroman‐3‐ene‐4‐ones.
Authors: Krishnan Jagadeesh , Sinu C. R. , Anusree M. , Seetha Lakshmi K. C. , Mayadevi T. S. , Eringathodi Suresh , Nair Vijay
Published: October 2016

Annulation reaction of arylidene chromanones, thiochromanones, and tetralones with α,β‐unsaturated aldehydes allow the synthesis of a wide variety of tricyclic pentenes.
ChemInform Abstract: Supported Gold Nanoparticles for Efficient α‐Oxygenation of Secondary and Tertiary Amines into Amides.
Authors: Jin Xiongjie , Kataoka Kengo , Yatabe Takafumi , Yamaguchi Kazuya , Mizuno Noritaka
Published: October 2016

An efficient heterogeneously Au/Al2O3‐catalyzed α‐oxygenation of secondary and tertiary amines is developed using elemental oxygen as oxidant.