bluuebunny/crossref_metadata_2025 huggingface dataset:
Uncertainty quantification and global sensitivity analysis of the Los Alamos sea ice model
Authors: Urrego‐Blanco Jorge R. , Urban Nathan M. , Hunke Elizabeth C. , Turner Adrian K. , Jeffery Nicole
Published: March 2016

Changes in the high‐latitude climate system have the potential to affect global climate through feedbacks with the atmosphere and connections with midlatitudes. Sea ice and climate models used to understand these changes have uncertainties that need to be characterized and quantified. We present a quantitative way to assess uncertainty in complex computer models, which is a new approach in the analysis of sea ice models. We characterize parametric uncertainty in the Los Alamos sea ice model (CICE) in a standalone configuration and quantify the sensitivity of sea ice area, extent, and volume with respect to uncertainty in 39 individual model parameters. Unlike common sensitivity analyses conducted in previous studies where parameters are varied one at a time, this study uses a global variance‐based approach in which Sobol' sequences are used to efficiently sample the full 39‐dimensional parameter space. We implement a fast emulator of the sea ice model whose predictions of sea ice extent, area, and volume are used to compute the Sobol' sensitivity indices of the 39 parameters. Main effects and interactions among the most influential parameters are also estimated by a nonparametric regression technique based on generalized additive models. A ranking based on the sensitivity indices indicates that model predictions are most sensitive to snow parameters such as snow conductivity and grain size, and the drainage of melt ponds. It is recommended that research be prioritized toward more accurately determining these most influential parameter values by observational studies or by improving parameterizations in the sea ice model.
Influence of post‐harvest crop residue fires on surface ozone mixing ratios in the N.W. IGP analyzed using 2 years of continuous in situ trace gas measurements
Authors: Kumar V. , Sarkar C. , Sinha V.
Published: March 2016

O3, CO, and NOx affect air quality and tropospheric chemistry but factors that control them in the densely populated N.W. Indo‐Gangetic Plain (IGP) are poorly understood. This work presents the first simultaneous 2 year long in situ data set acquired from August 2011 to September 2013 at a N.W. IGP site (30.667°N, 76.729°E; 310 m asl). We investigate the impact of emissions and meteorology on the diel and seasonal variability of O3, CO, and NOx. Regional post‐harvest crop residue fires contribute majorly to an enhancement of 19 ppb in hourly averaged ozone concentrations under similar meteorological conditions in summer and 7 ppb under conditions of lower radiation during the post monsoon. d[O3]/dt (from sunrise to daytime O3 maxima) was highest during periods influenced by post‐harvest fires in post monsoon season (9.2 ppb h−1) and lowest during monsoon season (4.1 ppb h−1). Analysis of air mass clusters revealed that enhanced chemical formation of O3 and not transport was the driver of the summertime and post monsoon ambient O3 maxima. Despite having high daytime NOx (>12 ppb) and CO (>440 ppb) in winter, average daytime O3 was less than 40 ppb due to reduced photochemistry and fog. Average daytime O3 during the monsoon was less than 45 ppb due to washout of precursors and suppressed photochemistry due to cloud cover. The 8 h ambient air quality O3 standard was violated on 451 days in the period August 2011–September 2013. The results show that substantial mitigation efforts are required to reduce regional O3 pollution in the N.W. IGP.
Evaluation of near‐surface temperature, humidity, and equivalent temperature from regional climate models applied in type II downscaling
Authors: Pryor S. C. , Schoof J. T.
Published: March 2016

Atmosphere‐surface interactions are important components of local and regional climates due to their key roles in dictating the surface energy balance and partitioning of energy transfer between sensible and latent heat. The degree to which regional climate models (RCMs) represent these processes with veracity is incompletely characterized, as is their ability to capture the drivers of, and magnitude of, equivalent temperature (Te). This leads to uncertainty in the simulation of near‐surface temperature and humidity regimes and the extreme heat events of relevance to human health, in both the contemporary and possible future climate states. Reanalysis‐nested RCM simulations are evaluated to determine the degree to which they represent the probability distributions of temperature (T), dew point temperature (Td), specific humidity (q) and Te over the central U.S., the conditional probabilities of Td|T, and the coupling of T, q, and Te to soil moisture and meridional moisture advection within the boundary layer (adv(Te)). Output from all RCMs exhibits discrepancies relative to observationally derived time series of near‐surface T, q, Td, and Te, and use of a single layer for soil moisture by one of the RCMs does not appear to substantially degrade the simulations of near‐surface T and q relative to RCMs that employ a four‐layer soil model. Output from MM5I exhibits highest fidelity for the majority of skill metrics applied herein, and importantly most realistically simulates both the coupling of T and Td, and the expected relationships of boundary layer adv(Te) and soil moisture with near‐surface T and q.
The long‐term trend in the diurnal temperature range over Asia and its natural and anthropogenic causes
Authors: Liu Lin , Li Zhanqing , Yang Xin , Gong Hainan , Li Chao , Xiong Anyuan
Published: March 2016

Understanding the causes of long‐term temperature trends is at the core of climate change studies. Any observed trend can result from natural variability or anthropogenic influences or both. In the present study, we evaluated the performance of 18 climate models from the Coupled Model Intercomparison Project Phase 5 on simulating the Asian diurnal temperature range (DTR) and explored the potential causes of the long‐term trend in the DTR by examining the response of the DTR to natural forcing (volcanic aerosols and solar variability) and anthropogenic forcing (anthropogenic greenhouse gases (GHG) and aerosols) in the historical period of 1961–2005. For the climatology, the multimodel ensemble mean reproduced the geographical distribution and amplitude of the DTR over eastern China and India but underestimated the magnitudes of the DTR over the Tibetan Plateau and the high‐latitude regions of the Asian continent. These negative biases in the DTR over frigid zones existed in most models. Seasonal biases in the DTR pattern from models were similar to the bias in the annual mean DTR pattern. Based on three selected state‐of‐the‐art models, the observed decreasing trend in the DTR over Asia was reasonably reproduced in the all‐forcing run. A comparison of separate forcing experiments revealed that anthropogenic forcing plays the dominant role in the declining trend in the DTR. Observations and model simulations showed that GHG forcing is mainly responsible for the negative trends in the DTR over Asia but that anthropogenic aerosol forcing was also behind the decreasing trend in the DTR over China and especially over eastern China.
Origin and fate of surface drift in the oceanic convergence zones of the eastern Pacific
Authors: Maes Christophe , Blanke Bruno , Martinez Elodie
Published: March 2016

This study investigates the structure and intensity of the surface pathways connecting to and from the central areas of the large‐scale convergence regions of the eastern Pacific Ocean. Surface waters are traced with numerical Lagrangian particles transported in the velocity field of three different ocean models with horizontal resolutions that range from ¼° to 1/32°. The connections resulting from the large‐scale convergent Ekman dynamics agree qualitatively but are strongly modulated by eddy variability that introduces meridional asymmetry in the amplitude of transport. Lagrangian forward‐in‐time integrations are used to analyze the fate of particles originating from the central regions of the convergence zones and highlight specific outflows not yet reported for the southeastern Pacific when using the currents at the highest resolutions (1/12° and 1/32°). The meridional scales of these outflows are comparable to the characteristic width of the fine‐scale striation of mean currents.
Fertility Rates
Authors: Hartnett Caroline Sten
Published: March 2016

Fertility rates measure the level of childbearing in a population. They are important for determining both the growth rate of a population and its age structure. Key measures of fertility include crude birth rate, general fertility rate, age‐specific fertility rates, cohort completed fertility, and total fertility rate. In most countries in the world, fertility has fallen from high levels (five or more children per woman) to much lower levels (below three children per woman) since the mid‐nineteenth century, as a result of factors such as economic changes and contraceptive technology. Currently, the lowest fertility levels (below 1.5 children per woman) are found in some European and East Asian countries, while the highest fertility levels (above five children per woman) are found mainly in sub‐Saharan African countries.
Morphological Covariation between the Maxillary Sinus and Midfacial Skeleton among Sub‐Saharan and Circumpolar Modern Humans
Authors: Butaric Lauren N. , Maddux Scott D.
Published: March 2016

Objectives

Maxillary sinus volume tracks ecogeographic differences in nasal form and may serve as a zone of accommodation for ontogenetic and evolutionary changes in nasal cavity breadth. However, little is known regarding how sinus volume is distributed within the midface. This study investigates morphological covariation between midfacial and sinus shape to better understand structural and functional relationships between the sinus, midface, and nasal cavity.

Methods

Cranial and sinus models were rendered from CT scans of modern human samples from two disparate climates: sub‐Saharan (South Africans [n = 15], West Africans [n = 17]), and circumpolar (Siberian Buriats [n = 18], Alaskan Inuit [n = 20]). Twenty‐five 3D coordinate landmarks were placed on the models and subjected to generalized Procrustes analysis. Two‐block partial least squares (2B‐PLS) analysis was employed to identify patterns of covariation.

Results

The 2B‐PLS analysis indicates PLS1 (58.6% total covariation) relates to height and breadth relationships between the midface, nasal cavity, and maxillary sinus. Significant regional differences in PLS1 scores are evident: circumpolar samples possess taller/narrower noses with taller/wider sinuses compared to sub‐Saharan samples. Importantly, PLS1 indicates that sinus breadth is not exclusively related to nasal cavity breadth; variation in lateral sinus expansion toward the zygoma represents an important contributing factor. PLS2 (16%) relates to supero‐inferior positioning of the sinus within the midface. Allometric trends, while statistically significant, explain only a small portion of these covariation patterns.

Conclusions

These results suggest that the maxillary sinus serves as a zone of accommodation at the confluence of multiple facial components, potentially minimizing effects of morphological alterations to certain components on adjacent structures. Am J Phys Anthropol 160:483–497, 2016. © 2016 Wiley Periodicals, Inc.
Effect of natural flours on crystallization behaviors of poly(3‐hydroxybutyrate‐co‐3‐hydroxyhexanoate)
Authors: Jonnalagadda Deepika , Kuboki Takashi
Published: March 2016

This paper investigates the effects of natural flours on the crystallization behavior of poly(3‐hydroxybutyrate‐co‐3‐hydroxyhexanoate) (PHBH). Two types of PHBH (3‐hydroxyhexanoate [3HH] contents of 5.6 and 11.1 mol %) were used as polymer matrix. One of two natural flours (cellulose or wood) at 1 wt % was added to this PHBH matrix. Crystallization behaviors under nonisothermal conditions were characterized using differential scanning calorimetry (DSC), while those under isothermal conditions were characterized using DSC and polarized optical microscopy. The results suggested that both cellulose and wood flour addition enhanced crystallization of the PHBH containing 5.6 mol % of 3HH (i.e., increased crystallization peak temperature and degree of crystallinity under the nonisothermal conditions, as well as decreased crystallization half time under the isothermal conditions). Of the two flours, wood flour was found to have greater effects, due to its higher crystal nucleating ability. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43600.
Influence of ionic strength and HPMC viscosity grade on drug release and swelling behavior of HPMC matrix tablets
Authors: Krese Ana , Kovačič Nataša Nagelj , Kapele Tomaž , Mrhar Aleš , Bogataj Marija
Published: March 2016

Matrix tablets containing paracetamol and hydroxypropyl methylcellulose (HPMC 2906) of different viscosity grades (50, 400, 1500, and 4000 mPa·s) were evaluated for drug release and change in matrix tablet mass [ΔM (%)] after exposure to 0.09, 0.15, 0.31, and 0.52M ionic strengths of dissolution media. At 0.09 and 0.15M ionic strength, drug‐release profiles reflected the extended release characteristic; in addition the increase in ΔM was slow and continuous within first few hours. At 0.31M the higher viscosity grade matrices showed extensive initial swelling and the loss of extended release whereas at 0.52M a similar tablet performance is observed for the matrices of all viscosity grades. Notably, when extensive increase in ΔM occurs in the very beginning of exposure to medium the loss of extended release from the matrix is expected. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43604.
Online dissection audio‐visual resources for human anatomy: Undergraduate medical students’ usage and learning outcomes
Authors: Choi‐Lundberg Derek L. , Cuellar William A. , Williams Anne‐Marie M.
Published: March 2016

In an attempt to improve undergraduate medical student preparation for and learning from dissection sessions, dissection audio‐visual resources (DAVR) were developed. Data from e‐learning management systems indicated DAVR were accessed by 28% ± 10 (mean ± SD for nine DAVR across three years) of students prior to the corresponding dissection sessions, representing at most 58% ± 20 of assigned dissectors. Approximately 50% of students accessed all available DAVR by the end of semester, while 10% accessed none. Ninety percent of survey respondents (response rate 58%) generally agreed that DAVR improved their preparation for and learning from dissection when used. Of several learning resources, only DAVR usage had a significant positive correlation (P = 0.002) with feeling prepared for dissection. Results on cadaveric anatomy practical examination questions in year 2 (Y2) and year 3 (Y3) cohorts were 3.9% (P < 0.001, effect size d = −0.32) and 0.3% lower, respectively, with DAVR available compared to previous years. However, there were positive correlations between students’ cadaveric anatomy question scores with the number and total time of DAVR viewed (Y2, r = 0.171, 0.090, P = 0.002, n.s., respectively; and Y3, r = 0.257, 0.253, both P < 0.001). Students accessing all DAVR scored 7.2% and 11.8% higher than those accessing none (Y2, P = 0.015, d = 0.48; and Y3, P = 0.005, d = 0.77, respectively). Further development and promotion of DAVR are needed to improve engagement and learning outcomes of more students. Anat Sci Educ 9: 545–554. © 2016 American Association of Anatomists.
Funding in English Universities and its relationship to the Research Excellence Framework
Authors: Kelly Anthony
Published: March 2016

The purpose of the Research Excellence Framework (REF) is to judge the quality of research in the UK and on that basis to apportion to universities, in a transparent manner, differential shares in the UK's £1.6 billion pot of research funding. However, the funding process is anything but transparent! While the REF process was known years in advance and remained constant throughout the assessment exercise, the mechanisms for the subsequent award of quality‐related research (QR) funding in England were opaque and ‘adjustable’. The financial outcomes were put in the public domain following publication of the REF outcomes, but the calculations still remain a ‘black box’ even for experienced university administrators. The funding factors were not revealed in advance and dramatic changes were made to the formula once the REF results were known. This paper explores the intricacies involved in university QR funding and looks at the correlations between it and various REF outcomes. It discusses the tactical implications for academics and university administrators, and whether simpler alternatives that are just as effective can be developed in time for the next iteration.
Prolonged Ex vivo expansion and differentiation of naïve murine CD43− B splenocytes
Authors: Zambrano Kenny , Jérôme Valérie , Freitag Ruth , Buchholz Rainer , Jäck Hans‐Martin , Hübner Holger , Schuh Wolfgang
Published: March 2016

Ex vivo expansion of naive primary B cells is still a challenge, yet would open new possibilities for in vitro studies of the immune response or the production of monoclonal antibodies. In our hands, unstimulated murine B cells did not expand in significant numbers, while culture viability decreased rapidly within a few days. Activation mimicking in vivo stimulation through either T cell‐independent or T‐cell dependent signaling, led to several division cycles, albeit accompanied by irreversible differentiation. By co‐culturing B cells under moderate hypothermia (30°C) on live feeder fibroblasts expressing recombinant CD40 ligand (CD154) and by repeatedly transferring cultured B cells to new feeder cell cultures, we could extend the growth of primary mouse B cells compared to cultures maintained at 37°C. B cells under these conditions showed an activated phenotype as shown by the presence of AID and IRF4, two factors required for IgH class switch recombination in antigen‐activated B cells. In contrast to cells cultured at 37°C, B cells under hyperthermia did surprisingly not differentiate into Blimp‐1 expressing plasmablasts. Thus, the repeated batch process under hyperthermic conditions represents a first step towards the development of a continuous cultivation system for the expansion of primary B cells. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:978–989, 2016
ChemInform Abstract: CYTOTOXIC COMPOUNDS PART 18, SOME 2‐ARYL‐2‐(ARYLTHIO)ETHANOLS, 1‐ARYL‐2‐(ARYLTHIO)ETHANOLS, AND THEIR METHANSULPHONATES
Authors: BEHZADI AFARIN , OWEN LEONARD N.
Published: March 2016

Umsetzung der Styroloxide (I) mit dem Thiophenolat (II) ergab die isomeren Phenylmercaptoäthanole (III) und (IV) in unterschiedlichen Mengenverhältnissen.
ChemInform Abstract: MESOIONIC PURINONE ANALOGS PART 5, SYNTHESIS OF MESOIONIC THIAZOLO(3,2‐A)‐S‐TRIAZINE‐5,7‐DIONES, MESOIONIC 1,3,4‐THIADIAZOLO(3,2‐A)‐S‐TRIAZINE‐5,7‐DIONES, AND THEIR MONOTHIONE DERIVATIVES
Authors: COBURN R. A. , BHOOSHAN B.
Published: March 2016

Die beiden Alkylamino‐thiazole (Ia) und (Ib) reagieren mit Phenoxycarbonylisocyanat (II) zu mesoionischen Thiazolotriazindionen (IIIa) und (IIIb).
ChemInform Abstract: THEORY OF ION CYCLOTRON RESONANCE POWER ABSORPTION FOR NONREACTIVE AND REACTIVE IONS
Authors: AOYAGI KATSUYUKI
Published: March 2016

Eine genaue Lösung der Bewegungsgleichung und exakte Ausdrücke des Ionenstroms bei der Ionen‐Cyclotron‐Resonanzabsorption werden behandelt.
ChemInform Abstract: INVESTIGATION OF IMPERFECTIONS IN SILICON SUBSTRATES USING COPPER DISPLACEMENT TECHNIQUE
Authors: GRIECO M. J.
Published: March 2016

Kristallbaufehler in polierten Si‐Substraten können durch Behandeln der Oberfläche mit einer CuSO4‐HF‐Lösung sichtbar gemacht werden.
ChemInform Abstract: LITHIUM‐BISMUTH ALLOY ELECTRODES FOR THERMODYNAMIC INVESTIGATION OF MOLTEN LIF‐BEF2 MIXTURES
Authors: SOOD D. D. , BRAUNSTEIN J.
Published: March 2016

Die EMK der Konzentrationsketten A wurde gemessen.
ChemInform Abstract: DERIVATOGRAPHIC STUDIES ON TRANSITION METAL COMPLEXES PART 13, THERMAL DECOMPOSITION OF (NI(N2H4)6)X2 COMPLEXES
Authors: TSUCHIYA RYOKICHI , YONEMURA MASAAKI , UEHARA AKIRA , KYUNO EISHIN
Published: March 2016

Die thermische Zersetzung der Titelverbindungen mit X = Cl, Br, J in fester Phase wird derivatographisch und IR‐spektroskopisch untersucht.
ChemInform Abstract: BISLACTAMS, THEIR SYNTHESIS, POLYMERIZATION AND COPOLYMERIZATION WITH 6‐CAPROLACTAM PART 5, ANIONIC COPOLYMERIZATION OF BISLACTAMS WITH 6‐CAPROLACTAM
Authors: KRALICEK J. , KUBANEK V. , KONDELIKOVA J.
Published: March 2016

(IV) bzw. (V), deren Synthese bereits beschrieben worden ist, wird eingehend untersucht.
ChemInform Abstract: DIE REAKTIVITAET VON HALOGENALKOXYSILANEN, VERHALTEN VON BROM‐2‐ALKOXYSILANEN GEGENUEBER MAGNESIUM
Authors: FOSTEIN P. , DELMOND B. , POMMIER J. C.
Published: March 2016

Die Bromalkoxysilane (I) reagieren mit Magnesium (II) in Diäthyläther unter Bildung von Eliminierungs‐ (III), Kupplungs‐ (IV) und Disproportionierungsprodukten (V).
ChemInform Abstract: PHOTOCHEMIE VON BENZISOXAZOLEN
Authors: HEINZELMANN W. , MAERKY M.
Published: March 2016

Das photochemische Reaktionsverhalten von Benzisoxazolen wie (II) und (VII) ist stark vom Lösungsmittel abhängig: Während die Bestrahlung von (II) in Wasser oder Methylalkohol die Benzoxazole (‐I) liefert, werden in aprotischen Lösungsmitteln wie Hexan die sek. Salicylamide (III) und in Acetonitril/Methanol außerdem die über die Iminoäther (IV) entstehenden Salicylester (V) gebildet.
ChemInform Abstract: ADDITION OF SULFUR CHLORIDES TO THE CYANOGEN BOND IN SULFONYL CYANIDES
Authors: VRIJLAND M. S. A.
Published: March 2016

Sulfonylcyanide (I) reagieren mit stöchi‐ometrischen Mengen an Schwefeldichlorid (II) zum 1:1‐Addukt (III), das mit weiterem (I) das Bis‐Addukt (IV) gibt.
ChemInform Abstract: NEUARTIGE REDUKTION VON POLYHALOGENVERBINDUNGEN
Authors: KECHER R. M. , SKIBINSKAYA M. B. , GALLAI O. S. , ZEFIROV N. S.
Published: March 2016

Das Perchlordihomokuban (I) geht unter der Einwirkung von Triphenylphosphin (auch Triphenylphosphit) und Carbonsäuren in Gemische der Dechlorierungsprodukte (II) und (III) über.
ChemInform Abstract: HOMOVINYL‐OXIDATION EINES 2‐PYRAZOLINS DURCH BLEI‐TETRAACETAT
Authors: STREITH J. , KIEHL G. , FRITZ H.
Published: March 2016

Die Oxidation des kondensierten Pyrazolins (I) liefert das tricyclische Acetat (IIa), das zu (IIb) verseift wird.
ChemInform Abstract: PREPARATION AND CHARACTERIZATION OF PHOSPHETAN ALKOXIDES AND ARYLOXIDES, PRODUCTION OF CIS‐ AND TRANS‐ISOMERS FROM TRANS‐1‐CHLOROPHOSPHETAN 1‐OXIDE
Authors: EMSLEY JOHN , MIDDLETON TREVOR B. , WILLIAMS JOHN K.
Published: March 2016

Nucleophile Substitution an P‐Atom in dem trans‐Phosphetan‐1‐oxid (I) erfolgt mit Retention der Konfiguration.
ChemInform Abstract: SYNTHESE UND REAKTIONEN VON SILICIUM‐UEBERGANGSMETALLKOMPLEXEN 4. MITT. UMYLIDIERUNGSPROZESSE
Authors: MALISCH W.
Published: March 2016

Die Umsetzung der Ylide (II) mit den Metall‐Metalloid‐Komplexen (I) führt meist zur Spaltung der Metall‐Metalloid‐Bindung.
ChemInform Abstract: PREPARATION AND CHARACTERISATION OF SOME NIOBIUM AND TANTALUM PENTAALKOXIDE CO‐ORDINATION COMPLEXES
Authors: HUBERT‐PFALZGRAF LILIANE G. , RIESS JEAN G.
Published: March 2016

Die durch Umsetzung von Nb‐ und dimerem Ta‐pentamethoxid mit überschüssigen Liganden gebildeten 1:1‐Komplexe werden NMR‐ und IR‐spektroskopisch als oktaedrische, sechsfach‐koordinierte Verbindungen charakterisiert.
ChemInform Abstract: HYDROCARBON COMPLEXES OF RUTHENIUM PART 1, FORMATION OF 1,2,3,3A,6A‐ETA‐1,4,5,6‐TETRAHYDROPENTALENYL COMPLEXES FROM ORGANO‐SILYL‐ AND ‐GERMYL‐(CARBONYL)RUTHENIUM COMPOUNDS
Authors: KNOX SELBY A. R. , PHILLIPS RICHARD P. , STONE F. GORDON A.
Published: March 2016

Die Umsetzung des Triens (I) mit dem Ru‐Komplex (IIa) verläuft unter Ringkontrak‐ tion zu den Tetrahydropentalenylkomplexen (IVa) und (V), dem Pentalenkomplex (VI) und dem bekannten Cluster (III), die Umsetzung von (I) mit (IIb) zu (IVb) und der Verbindung (IX) (in kleinen Mengen).
ChemInform Abstract: HYDROCARBON COMPLEXES OF RUTHENIUM PART 2, REACTIONS OF ORGANO‐SILYL‐ AND ‐GERMYL‐(CARBONYL)RUTHENIUM COMPLEXES WITH CYCLO‐OCTATRIENES
Authors: SZARY ANNE C. , KNOX SELBY A. R. , STONE F. GORDON A.
Published: March 2016

Eine isomere Mischung von Cyclooctatrien‐(l ,3,5) und ‐(1,3,6) reagiert in Heptan be′ Rückflußtemperatur sowohl mit dem Ru‐Komplex (Ia) als auch mit (IIa) zu den iso‐ g lierbaren Produkten (III), (IV) und (V).
ChemInform Abstract: SULFUR‐DONOR LIGAND ORTHO‐METALATED COMPLEXES OF RUTHENIUM
Authors: ALPER H. , CHAN A. S. K.
Published: March 2016

Die Reaktion der 4,4′‐disubstituierten Thiobenzophenone (I) mit dem Rutheniumcarbonyl (II) in Toluol bei 70°C liefert die ortho‐metallierten Komplexe (III).
ChemInform Abstract: SULFENIC ACID TRIMETHYLSILYL ESTERS, A CONVENIENT PROTECTION FOR A REACTIVE FUNCTIONALITY
Authors: CHOU T. S.
Published: March 2016

Aus den Penicillinsulfoxid‐estern (Ia)‐(Ic) erhält man mit einem im Molverhältnis von 2:1 aus Trimethylsilylchlorid und Hexamethyldisilazan bestehenden Silylierungs= reagens über (II) die Si1yläther(IIIa)‐(IIIc), die reversibel wieder zu (I) verseift und recyclisiert werden können.
ChemInform Abstract: Giant Volume Change and Topological Gaps in Temperature‐ and Pressure‐Induced Phase Transitions: Experimental and Computational Study of ThMo2O8.
Authors: Xiao Bin , Kegler Philip , Gesing Thorsten M. , Robben Lars , Blanca‐Romero Ariadna , Kowalski Piotr M. , Li Yan , Klepov Vladislav , Bosbach Dirk , Alekseev Evgeny V.
Published: March 2016

Single crystals of monoclinic ThMo2O8 are prepared by solid state reaction of Th(NO3)4 and MoO3 (1273 K, 6 h).
ChemInform Abstract: Synthesis and Optical Performance of a New Red‐Emitting ZnTiF6·6H2O:Mn4+ Phosphor for Warm White‐Light‐Emitting Diodes.
Authors: Zhong J. S. , Chen D. Q. , Wang X. , Chen L. F. , Yu H. , Ji Z. G.. , Xiang W. D.
Published: March 2016

ZnTiF6·6H2O:Mn4+ (<11 mol% Mn) is prepared by a two‐step co‐precipitation involving an aqueous solution of KMnO4, HF, and KHF to which H2O2 is given to precipitate K2MnF6 which is then added to a solution containing ZnF2, TiO2, and HF.
ChemInform Abstract: Highly Regio‐, Diastereo‐, and Enantioselective Gold(I)‐Catalyzed Intermolecular Annulations with N‐Allenamides at the Proximal C=C Bond.
Authors: Wang Yidong , Zhang Peichao , Qian Deyun , Zhang Junliang
Published: March 2016

The title reaction is optimized with respect to the BINOL‐derived phosphoramidite catalyst to give fully substituted furans with good diastereo‐ and generally excellent enantioselectivity.
ChemInform Abstract: Novel PDC Catalyzed Oxidative Rearrangement of Tertiary Allylic Alcohols to β‐Substituted Enones.
Authors: Matsunaga Kazuma , Hirajima Hironori , Kishida Atsushi , Takatori Kazuhiko , Nagaoka Hiroto
Published: March 2016

A novel pyridinium dichromate (PDC) is found to be an effective catalyst for the oxidative rearrangement of cyclic tertiary allylic alcohols in the presence of MgSO4, and H2O using PhI(OAc)2 as a co‐oxidant under oxygen.
ChemInform Abstract: A Visible‐Light‐Mediated Radical Smiles Rearrangement and Its Application to the Synthesis of a Difluoro‐Substituted Spirocyclic ORL‐1 Antagonist.
Authors: Douglas James J. , Albright Haley , Sevrin Martin J. , Cole Kevin P. , Stephenson Corey R. J.
Published: March 2016

A photolytic Smiles rearrangement of sulfonic acid esters (I) to produce difluoroalkyl substituted arenes and hetarenes is described.
ChemInform Abstract: Bacteriogenic Iron Oxide as an Effective Catalyst for Baeyer—Villiger Oxidation with Molecular Oxygen and Benzaldehyde.
Authors: Mandai Kyoko , Hanata Minae , Mitsudo Koichi , Mandai Hiroki , Suga Seiji , Hashimoto Hideki , Takada Jun
Published: March 2016

Iron oxide produced by Leptothrix ochracea catalyzes the Baeyer—Villiger oxidation with molecular oxygen in the presence of benzaldehyde at 25°C.
ChemInform Abstract: Regioselective Fluorination of Imidazo[1,2‐a]pyridines with Selectfluor in Aqueous Condition.
Authors: Liu Ping , Gao Yongyuan , Gu Weijin , Shen Ziyan , Sun Peipei
Published: March 2016

Aside regioselective 3‐monofluorination of title compounds, selective 3,3‐difluoro‐2‐alkoxylation is also observed when alcohols are used as nucleophiles.
ChemInform Abstract: Enantioselective Alkyne Addition to Aliphatic, Aromatic, and Vinyl Aldehydes Using Zn,iPrI, H8BINOL, and Ti(OiPr)4.
Authors: Huang Wen‐Cai , Liu Winnie , Wu Xue‐Dan , Ying Jun , Pu Lin
Published: March 2016

The new catalytic system broadens the substrate scope of the title reaction.
ChemInform Abstract: Decarboxylative and Denitrative Trifluoromethylation for the Synthesis of Cvinyl—CF3 Compounds with Togni (II) Reagent.
Authors: Ma Jing‐jing , Yi Wen‐bin , Lu Guo‐ping , Cai Chun
Published: March 2016

Both processes are successfully carried out with 1 equiv.
ChemInform Abstract: N‐Heterocyclic Carbene Ligands Bearing Poly(ethylene Glycol) Chains: Effect of the Chain Length on Palladium‐Catalyzed Coupling Reactions Employing Aryl Chlorides.
Authors: Fujihara Tetsuaki , Yoshikawa Takahiro , Satou Motoi , Ohta Hidetoshi , Terao Jun , Tsuji Yasushi
Published: March 2016

The catalyst with a poly(ethylene glycol) chain length of averagely 17 ethylene glycol units is found to be highly active for the Suzuki reaction.
ChemInform Abstract: Methionine: A Green and Efficient Promoter for Copper‐Catalyzed Sonogashira Cross‐Coupling Reactions.
Authors: Hajipour Abdol R. , Mohammadsaleh Fatemeh
Published: March 2016

In the presence of amino acids as environmentally friendly ligands, CuI‐catalyzed Sonogashira cross‐coupling of various aryl halides with phenylacetylene is conducted to afford the corresponding internal alkynes.
ChemInform Abstract: Imidazolidinone Based Chiral Auxiliary Mediated Acetate Aldol Reactions of Isatin Derivatives and Stereoselective Synthesis of 3‐Substituted‐3‐hydroxy‐2‐oxindoles.
Authors: Gangar Mukesh , Kashyap Naresh , Kumar Kapil , Goyal Sandeep , Nair Vipin A.
Published: March 2016

The acetate aldol reactions of chiral substrate (I) with isatins is presented.
ChemInform Abstract: Asymmetric Synthesis of Hydrocarbazoles Catalyzed by an Octahedral Chiral‐at‐Rhodium Lewis Acid.
Authors: Huang Yong , Song Liangliang , Gong Lei , Meggers Eric
Published: March 2016

A bis‐cyclometalated chiral‐at‐metal rhodium complex catalyzes the Diels—Alder reaction between N‐Boc‐protected 3‐vinylindoles and β‐carboxylic ester‐substituted α,β‐unsaturated 2‐acyl imidazoles with excellent selectivities under optimized conditions.
ChemInform Abstract: Versatile Scope of a Masked Aldehyde Nitrone in 1,3‐Dipolar Cycloadditions.
Authors: Hoogenboom Jorin , Zuilhof Han , Wennekes Tom
Published: March 2016

The nitrone (I) is found to be optimal for the title reactions.
ChemInform Abstract: AgN(CN)2/DIPEA/H2O‐EG: A Highly Efficient Catalytic System for Synthesis of 1,4‐Disubstituted‐1,2,3‐triazoles at Room Temperature.
Authors: Ali Abdul Aziz , Chetia Mitali , Saikia Bishwajit , Saikia Prakash J. , Sarma Diganta
Published: March 2016

A simple and efficient method is developed for synthesizing 1,4‐disubstituted‐1,2,3‐triazoles using AgN(CN)2/DIPEA as catalyst in H2O/ethylene glycol at room temperature without the exclusion of air.
ChemInform Abstract: Oxidative Cyclization of N‐Aroylhydrazones to 2‐(2‐Arylethenyl)‐1,3,4‐oxadiazoles Using DDQ as an Efficient Oxidant.
Authors: Jasiak Karolina , Kudelko Agnieszka
Published: March 2016

Various novel title compounds are synthesized via the direct oxidative cyclization of α,β‐unsaturated acid hydrazides and aromatic aldehydes in a one‐pot procedure.
ChemInform Abstract: An Improved Aldol Protocol for the Preparation of 6‐Styrenylpyrones.
Authors: Kraus George A. , Wanninayake Umayangani K.
Published: March 2016

The aldol reaction of pyrones with aldehydes affords 6‐styrenylpyrones including PTP1B inhibitors (IIIa,b).
ChemInform Abstract: Synthesis of New Coumarin Containing Benzimidazole Derivatives.
Authors: Mentese Emre , Yilmaz Fatih , Mutlu Fatih , Kahveci Bahittin
Published: March 2016

The high yielding reaction between benzimidazole hydrazides and (benzotriazolylcarbonyl)chromenone is performed in a very small amount of solvent without a catalyst.
ChemInform Abstract: C(sp3)—H Functionalization of Methyl Azaarenes: A Calcium‐Catalyzed Facile Synthesis of (E)‐2‐Styryl Azaarenes and 2‐Aryl‐1,3‐bisazaarenes.
Authors: Yaragorla Srinivasarao , Singh Garima , Dada Ravikrishna
Published: March 2016

A mild, efficient, and sustainable catalytic system for the C(sp3)—H functionalization of methyl azaarenes is reported.
ChemInform Abstract: 2‐Oxo‐Driven N2 Elimination Induced Decarbonylative Cyclization Reaction in Benzotriazoles to 6‐Aminophenanthridines.
Authors: Battula Satyanarayana , Kumar Atul , Gupta Ajai Prakash , Ahmed Qazi Naveed
Published: March 2016

A variety of functional groups can be introduced in the phenanthridine skeleton following the 3‐component strategy shown.
ChemInform Abstract: A Facile One‐Pot Synthesis of Novel 1,2,4‐Triazolo[4,3‐a]pyridine Derivatives Containing the Trifluoromethyl Moiety Using Microwave Irradiation.
Authors: Yang Ming‐Yan , Zhai Zhi‐Wen , Sun Zhao‐Hui , Yu Shu‐Jing , Liu Xing‐Hai , Weng Jian‐Quan , Tan Cheng‐Xia , Zhao Wei‐Guang
Published: March 2016

The title compounds exhibit weak antifungal activity.
ChemInform Abstract: ZrOCl2·8H2O Catalyzed Solvent‐Free Friedlander Synthesis of 1,8‐Naphthyridines.
Authors: Mogilaiah K. , Rao A. Nageswara , Rao P. Koteswara
Published: March 2016

The title compounds are conveniently and rapidly obtained by solvent‐free grinding of aminonicotinaldehyde with various carbonyl compounds bearing an α‐methylene group.
ChemInform Abstract: A Facile and Efficient Synthesis of Hexahydro‐1H‐pyrido[2,3‐b]indol‐2‐one Scaffolds via a Sequential Michael Addition/Amidation/Reductive Cyclization Process.
Authors: Liu Xiong‐Li , Zhang Wen‐Hui , Yao Zhen , Liu Xiong‐Wei , Peng Li‐Jun , Zhao Zhi , Lu Yi , Zhou Ying , Yuan Wei‐Cheng
Published: March 2016

A variety of products bearing a hexahydro‐1H‐pyrido[2,3‐b]indol‐2‐one core, a key structural skeleton in a large number of biologically active natural products and pharmaceutical compounds, are obtained with high efficiency.
ChemInform Abstract: Boron Tribromide‐Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels—Alder Reaction of 1,2‐Dihydropyridines.
Authors: Hatano Manabu , Goto Yuta , Izumiseki Atsuto , Akakura Matsujiro , Ishihara Kazuaki
Published: March 2016

First, catalysts (Ia) and (Ib) are established as the efficient ones for the cycloaddition of cyclic dienes (II) and (V) with acroleins (III) and acrylate (VII) under slightly different conditions.
ChemInform Abstract: A Quinine‐Squaramide Catalyzed Enantioselective Aza‐Friedel—Crafts Reaction of Cyclic Trifluoromethyl Ketimines with Naphthols and Electron‐Rich Phenols.
Authors: Zhou Ding , Huang Zheng , Yu Xueting , Wang Youxin , Li Jian , Wang Wei , Xie Hexin
Published: March 2016

The procedure allows the access to biologically important chiral dihydroquinazolinones bearing a ‐CF3 function at the quaternary carbon.
ChemInform Abstract: A Cleavage Reaction of Benzothiazole with Cyclic 1,3‐Dicarbonyls in the Presence of Potassium Dihydrogen Phosphate.
Authors: Suliman Ayman Mohammed Yousif , Li Yanjun , Zhang Shaonan , Yuan Yu
Published: March 2016

The syntheses are carried out under mild and environmentally benign reaction conditions without use of any transition metal.
ChemInform Abstract: Copper‐Catalyzed Silylation of p‐Quinone Methides: New Entry to Dibenzylic Silanes.
Authors: Lopez Aurora , Parra Alejandro , Jarava‐Barrera Carlos , Tortosa Mariola
Published: March 2016

The title reaction can be used to synthesize non‐symmetric dibenzylic silanes in high yields under mild reaction conditions.
ChemInform Abstract: Novel Highly Oxygenated and B‐Ring‐seco‐ent‐Diterpene Glucosides from the Seeds of Prinsepia utilis.
Authors: Zhang Qiao , Liu Hong‐Xin , Tan Hai‐Bo , Qiu Sheng‐Xiang
Published: March 2016

Three ent‐kaurane diterpene glucosides, prinsoside A (I), B (II) and C (III), respectively, are isolated from an ethanolic extract of the seeds of Prinsepia utilis.
ChemInform Abstract: Cytotoxic 24‐nor‐Ursane‐Type Triterpenoids from the Twigs of Mostuea hirsuta.
Authors: Longue Ekon Jean Pierre , Nouga Bissoue Achille , Formani Marie , Toze Flavien Aristide Alfred , Kamdem Alain Francois Waffo , Sewald Norbert , Wansi Jean Duplex
Published: March 2016

Two new 24‐nor‐ursane‐type triterpenoids (I) are isolated together with 15 known compounds.
ChemInform Abstract: Ligand and Copper Free Sonogashira Coupling to Achieve 2‐Alkynyl D‐Glucal Derivatives: Regioselective Electrophile Promoted Nucleophilic 5‐endo‐Dig Cyclization.
Authors: Shamim Anwar , Vasconcelos Stanley N. S. , Ali Bakhat , Madureira Lucas Sousa , Zukerman‐Schpector J. , Stefani Helio A.
Published: March 2016

A very efficient Pd(OAc)2 catalyzed copper and ligand free Sonogashira coupling reaction is developed.
ChemInform Abstract: Postsynthetic Modification of Metal‐Organic Frameworks Through Click Chemistry
Authors: Gui Bo , Meng Xiangshi , Xu Hai , Wang Cheng
Published: March 2016

Review: 67 refs.
ChemInform Abstract: Surface Organometallic and Coordination Chemistry Toward Single‐Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities
Authors: Coperet Christophe , Comas‐Vives Aleix , Conley Matthew P. , Estes Deven P. , Fedorov Alexey , Mougel Victor , Nagae Haruki , Nunez‐Zarur Francisco , Zhizhko Pavel A.
Published: March 2016

Review: 696 refs.
ChemInform Abstract: Dimerization of Aromatic C‐Nitroso Compounds
Authors: Beaudoin Daniel , Wuest James D.
Published: March 2016

Review: 270 refs.
ChemInform Abstract: Stimuli‐responsive Chromism in Organophosphorus Chemistry
Authors: Reus Christian , Baumgartner Thomas
Published: March 2016

Review: 58 refs.
ChemInform Abstract: Dehydrogenative Coupling Involving P(O)—H Bonds: A Powerful Way for the Preparation of Phosphoryl Compounds
Authors: Chen Tieqiao , Zhang Ji‐Shu , Han Li‐Biao
Published: March 2016

Review: recent progress in the preparation of organo‐phosphorus compounds via transitin metal‐catalyzed dehydrogenative couplings of P(O)H compounds; 79 refs.
ChemInform Abstract: Recent Advances in Catalytic Selective Synthesis of Epoxide and Aziridine via Diazocarbonyl Compound
Authors: Liu Yu
Published: March 2016

Review: 47 refs.
ChemInform Abstract: Oxidative Cross‐Coupling: An Alternative Way for C—C Bond Formations
Authors: Huang Zhiyuan , Tang Shan , Lei Aiwen
Published: March 2016

Review: selective oxidative cross‐coupling in the past decades; 34 refs.
ChemInform Abstract: Cycloaddition of Carbonyl Compounds and Alkynes to (Di)silenes and (Di)germenes: Reactivity and Mechanism
Authors: Milnes Kaarina K. , Pavelka Laura C. , Baines Kim M.
Published: March 2016

Review: [76 refs.
ChemInform Abstract: Sustainable Oxidations under Phase‐Transfer Catalysis Conditions
Authors: Albanese Domenico C. M. , Foschi Francesca , Penso Michele
Published: March 2016

Review: [74 refs.
ChemInform Abstract: Substrate Induced Diastereoselective Hydrogenation/Reduction of Arenes and Heteroarenes
Authors: Gualandi A. , Savoia D.
Published: March 2016

Review: [134 refs.
ChemInform Abstract: Fifty Years of π‐Conjugated Triazenes
Authors: Patil Siddappa , Bugarin Alejandro
Published: March 2016

Review: [progress in synthetically manipulating π‐conjuagated triazenes in order to increase their reactivity; 53 refs.
ChemInform Abstract: Mono‐ and Difluorination of Benz~ylic Carbon Atoms
Authors: Koperniku Ana , Liu Hongqiang , Hurley Paul B.
Published: March 2016

Review: [49 refs.
ChemInform Abstract: Recent Developments in the Chemistry of 3H‐1,2,3,4‐Triazaphosphole Derivatives
Authors: Sklorz Julian A. W. , Mueller Christian
Published: March 2016

Review: [synthesis, coordination chemistry, and optoelectronic applications; 45 refs.
ChemInform Abstract: Directed Evolution of Enzymes for Industrial Biocatalysis
Authors: Porter Joanne L. , Rusli Rukhairul A. , Ollis David L.
Published: March 2016

Review: 106 refs.
ChemInform Abstract: Towards Lignin‐Based Functional Materials in a Sustainable World
Authors: Kai Dan , Tan Mein Jin , Chee Pei Lin , Chua Yun Khim , Yap Yong Liang , Loh Xian Jun
Published: March 2016

Review: 178 refs.
Shape of the Pulmonary Artery Doppler‐Flow Profile Predicts the Hemodynamics of Pulmonary Hypertension Caused by Left‐Sided Heart Disease
Authors: Kushwaha Shailendra P. , Zhao Qin‐Hua , Liu Qian‐Qian , Wu Wen‐Hui , Wang Lan , Yuan Ping , Zhang Rui , Jing Zhi‐Cheng
Published: March 2016

Background

Previous studies demonstrated a relationship between pulmonary hemodynamics and shape of pulmonary artery (PA) Doppler‐flow profiles in a mixed pulmonary hypertension (PH) cohort.

Hypothesis

Shape of PA Doppler‐flow profiles could illustrate the hemodynamic characteristics of pulmonary venous hypertension (PVH), especially identifying it with or without pulmonary vascular disease (PVD).

Methods

We retrospectively analyzed hemodynamic, echocardiographic, and clinical data from 47 patients referred for PH caused by left‐sided heart disease (PH‐LHD). All patients underwent right‐sided heart catheterization within 1 week of echocardiography. We concluded a simple echocardiographic prediction rule to give hemodynamic differentiation of PVH with PVD, defined as capillary wedge pressure >15 mm Hg and pulmonary vascular resistance (PVR) >3 Wood units (WU). The PA Doppler‐flow profiles were categorized into 2 groups, no notch (NN) and MSN/LSN.

Results

The PVR was higher in the MSN/LSN group at 4.04 WU (interquartile range, 3.1–5.3) vs the NN group at 1.91 WU (interquartile range, 1.8–3.0; P < 0.001). Pulmonary artery Doppler‐flow notching (MSN and LSN) was highly associated with PVR >3 WU, whereas the NN pattern predicted a PVR ≤3 WU (odds ratio: 19.8, 95% confidence interval: 4.3‐91.3) and normal transpulmonary pressure gradient ≤12 mm Hg (odds ratio: 4.7, 95% confidence interval: 1.3‐16.2). The NN pattern had 74% specificity and 88% sensitivity for PVR ≤3 WU.

Conclusions

Absence of PA Doppler‐flow notching was highly associated with PVH, and a notching pattern indicated PVH with PVD in the PH‐LHD cohort.
An association analysis and identification for unknown protocol of bitstream oriented
Authors: Zheng Jie
Published: March 2016

As for the bitstream data features in mobile wireless network, a method based on association rules was proposed to identify the unknown protocol in certain circumstances. The method improved traditional protocol identification technology to reduce its limitation by ways of port number and fixed features of known protocol. Through capturing bitstream data transmitted in wireless environment, the method extracted the feature information and also mined the association rules to identify and mark the unknown protocol using the learning mechanism of machine. Then the unknown protocol in a specific environment was found and analyzed by marking the fingerprint information of protocol. Finally, the efficiency of the method was evaluated by two kinds of protocol to obtain that the average recognition rate of protocol was more than 99%, while the average false‐recognition rate is less than 0.6%. Copyright © 2016 John Wiley & Sons, Ltd.
Solution‐State One‐ and Two‐Dimensional NMR Spectroscopy of High‐Molecular‐Weight Cellulose
Authors: Holding Ashley J. , Mäkelä Valtteri , Tolonen Lasse , Sixta Herbert , Kilpeläinen Ilkka , King Alistair W. T.
Published: March 2016

High‐molecular‐weight celluloses (which even include bacterial cellulose) can be dissolved fully in methyltrioctylphosphonium acetate/[D6]DMSO solutions to allow the measurement of resonance‐overlap‐free 1 D and 2 D NMR spectra. This is achieved by a simple and non‐destructive dissolution method, without solvent suppression, pre‐treatment or deuteration of the ionic component. We studied a range of cellulose samples by using various NMR experiments to make an a priori assignment of the cellulose resonances. Chain‐end resonances are also visible in the 1H NMR spectrum. This allows the rough determination of the degree of polymerisation (DP) of a sample for low‐DP celluloses by the integration of non‐reducing chain ends C1 versus polymeric cellobiose C1. Low‐DP celluloses show a good agreement with the gel‐permeation chromatography (GPC) values, but high‐DP pulps show more deviation. For high‐purity pulps (pre‐hydrolysis kraft and sulfite), residual xyloses and mannoses can also be identified from the 1H–13C heteronuclear single‐quantum coherence (HSQC) spectra. Resonances are thus assigned for the common polymeric polysaccharides found in chemical pulps.
Design Criteria, Operating Conditions, and Nickel–Iron Hydroxide Catalyst Materials for Selective Seawater Electrolysis
Authors: Dionigi Fabio , Reier Tobias , Pawolek Zarina , Gliech Manuel , Strasser Peter
Published: March 2016

Seawater is an abundant water resource on our planet and its direct electrolysis has the advantage that it would not compete with activities demanding fresh water. Oxygen selectivity is challenging when performing seawater electrolysis owing to competing chloride oxidation reactions. In this work we propose a design criterion based on thermodynamic and kinetic considerations that identifies alkaline conditions as preferable to obtain high selectivity for the oxygen evolution reaction. The criterion states that catalysts sustaining the desired operating current with an overpotential <480 mV in alkaline pH possess the best chance to achieve 100 % oxygen/hydrogen selectivity. NiFe layered double hydroxide is shown to satisfy this criterion at pH 13 in seawater‐mimicking electrolyte. The catalyst was synthesized by a solvothermal method and the activity, surface redox chemistry, and stability were tested electrochemically in alkaline and near‐neutral conditions (borate buffer at pH 9.2) and under both fresh seawater conditions. The Tafel slope at low current densities is not influenced by pH or presence of chloride. On the other hand, the addition of chloride ions has an influence in the temporal evolution of the nickel reduction peak and on both the activity and stability at high current densities at pH 9.2. Faradaic efficiency close to 100 % under the operating conditions predicted by our design criteria was proven using in situ electrochemical mass spectrometry.
The Importance of End Groups for Solution‐Processed Small‐Molecule Bulk‐Heterojunction Photovoltaic Cells
Authors: Duan Ruomeng , Cui Yong , Zhao Yanfei , Li Chen , Chen Long , Hou Jianhui , Wagner Manfred , Baumgarten Martin , He Chang , Müllen Klaus
Published: March 2016

End groups in small‐molecule photovoltaic materials are important owing to their strong influence on molecular stability, solubility, energy levels, and aggregation behaviors. In this work, a series of donor–acceptor pentads (D2–A–D1–A–D2) were designed and synthesized, aiming to investigate the effect of the end groups on the materials properties and photovoltaic device performance. These molecules share identical central A–D1–A triads (with benzodithiophene as D1 and 6‐carbonyl‐thieno[3,4‐b]thiophene as A), but with various D2 end groups composed of alkyl‐substituted thiophene (T), thieno[3,2‐b]thiophene (TT), and 2,2′‐bithiophene (BT). The results indicate a relationship between conjugated segment/alkyl chain length of the end groups and the photovoltaic performance, which contributes to the evolving molecular design principles for high efficiency organic solar cells.