bluuebunny/crossref_metadata_2025 huggingface dataset:
Monitoring the CO2 consumption of Monoraphidium sp. microalgae: Characterization of algal biomass produced
Authors: Figuera A. , Reyes Y. , González R. , Paula R. , Basto L. , Aranda D.
Published: November 2016

Microalgae are unicellular organisms capable of photosynthesis, turning sunlight and carbon dioxide (CO2) into rich biomass, precisely because of this definition in recent years, various sectors have been targeting the ability to reduce CO2 emissions and the capacity of simultaneously synthesize biomass which can later be used to produce bio-fuels. In respect to the capturing and utilization of CO2 emitted by different industries (cement, generation of electric energy, cellulose and ethanol production by fermentation of sugars) for the cultivation of microalgae destined to the production of bio-fuels, for example, biodiesel, ethanol or bio-oil. However, this research was developed in the Green Technologies Laboratory - Greentec / EQ / UFRJ, which focussed on the monitoring of CO2 consumption in microalgae Monoraphidium sp. cultivated in closed-window type photobioreactor, as well as, the characterization of the microalgal biomass produced in relation to the total lipid content (TL), convertible lipids into biodiesel (CLB), carbohydrates and proteins.The overall procedure involved the evaluation of the following parameters: injection of CO2, temperature (°C), lighting (μE m-2 s-1), pH, cell density (cells ml-1) and dry biomass. From the results of this study, it was observed that at the beginning of the culture (day 0) 0.79 g of CO2 were consumed per each gram of biomass produced. On the last day (12), 0.3 g of CO2 were consumed per gram of culture. On the sixth day of cultivation, the consumption of CO2 per gram of biomass increased, resulting in a CO2 consumption of 0.61 g. The best result was obtained on the second day of cultivation, when for each gram of biomass produced approximately 1.2 grams of CO2 were consumed. The biomass Monoraphidium sp. produced, contained 17,37 ± 3,27% of total lipid content, approximately 8.36 ± 2.69% of convertible lipids into biodiesel, 32% ± 3.37 of carbohydrates and 34.26% ± 0.41 of protein. The analysis performed by -GC-MS Gas chromatography showed the following composition of saturated fatty acids (SAFAs) mainly the C16:0 (palmitic), as in monounsaturated acids (MUFAs), in high quantity C18:1 (oleic) and polyunsaturated acids (PUFAs) mainly represented by C18:2 (Linoleic) and C18:3 (linolenic).
Mizellen, Bizellen und Nanoscheiben: Einfluss von membranimitierenden Umgebungen auf die Membranproteindynamik
Authors: Frey Lukas , Lakomek Nils‐Alexander , Riek Roland , Bibow Stefan
Published: November 2016

Für strukturelle und dynamische Untersuchungen von Membranproteinen werden heutzutage Tenside eingesetzt, in denen die strukturelle Integrität der Membranproteine meistens erhalten bleibt, ihre Funktionalität jedoch oft eingeschränkt wird. Diese Funktionalität kann in den meisten Fällen in einer Lipidumgebung wiederhergestellt werden. Hier zeigen wir mit Aminosäuren‐spezifischer Auflösung, dass OmpX eine stabile β‐Fass‐3D‐Struktur sowohl in DPC‐Tensidmizellen als auch in DHPC/DMPC‐Bizellen und DMPC‐Nanoscheiben bilden kann. Die Dynamiken dagegen unterscheiden sich stark im Piko/Nanosekunden‐ und im Mikro/Millisekundenbereich zwischen der Tensid‐ und Lipidumgebung. Vor allem in den β‐Strängen konnte eine hohe dynamische Variabilität für die Lipidumgebung festgestellt werden, die in der Tensidumgebung nicht vorhanden war. Dieses membranabhängige Verhalten könnte einen Zusammenhang für den häufig auftretenden Aktivitätsverlust von Membranproteinen in Gegenwart von Tensiden aufzeigen.
Targeting Cancer with PCPA‐Drug Conjugates: LSD1 Inhibition‐Triggered Release of 4‐Hydroxytamoxifen
Authors: Ota Yosuke , Itoh Yukihiro , Kaise Asako , Ohta Kiminori , Endo Yasuyuki , Masuda Mitsuharu , Sowa Yoshihiro , Sakai Toshiyuki , Suzuki Takayoshi
Published: November 2016

Targeting cancer with small molecule prodrugs should help overcome problems associated with conventional cancer‐targeting methods. Herein, we focused on lysine‐specific demethylase 1 (LSD1) to trigger the controlled release of anticancer drugs in cancer cells, where LSD1 is highly expressed. Conjugates of the LSD1 inhibitor trans‐2‐phenylcyclopropylamine (PCPA) were used as novel prodrugs to selectively release anticancer drugs by LSD1 inhibition. As PCPA‐drug conjugate (PDC) prototypes, we designed PCPA‐tamoxifen conjugates 1 a and 1 b, which released 4‐hydroxytamoxifen in the presence of LSD1 in vitro. Furthermore, 1 a and 1 b inhibited the growth of breast cancer cells by the simultaneous inhibition of LSD1 and the estrogen receptor without exhibiting cytotoxicity toward normal cells. These results demonstrate that PDCs provide a useful prodrug method that may facilitate the selective release of drugs in cancer cells.
Tailoring Renal Clearance and Tumor Targeting of Ultrasmall Metal Nanoparticles with Particle Density
Authors: Tang Shaoheng , Peng Chuanqi , Xu Jing , Du Bujie , Wang Qingxiao , Vinluan Rodrigo D. , Yu Mengxiao , Kim Moon J. , Zheng Jie
Published: November 2016

Identifying key factors that govern the in vivo behavior of nanomaterials is critical to the clinical translation of nanomedicines. Overshadowed by size‐, shape‐, and surface‐chemistry effects, the impact of the particle core density on clearance and tumor targeting of inorganic nanoparticles (NPs) remains largely unknown. By utilizing a class of ultrasmall metal NPs with the same size and surface chemistry but different densities, we found that the renal‐clearance efficiency exponentially increased in the early elimination phase while passive tumor targeting linearly decreased with a decrease in particle density. Moreover, lower‐density NPs are more easily distributed in the body and have shorter retention times in highly permeable organs than higher‐density NPs. The density‐dependent in vivo behavior of metal NPs likely results from their distinct margination in laminar blood flow, which opens up a new path for precise control of nanomedicines in vivo.
Imaging the Atomic Position of Light Cations in a Porous Network and the Europium(III) Ion Exchange Capability by Aberration‐Corrected Electron Microscopy
Authors: Mayoral Alvaro , Hall Reece M. , Jackowska Roksana , Readman Jennifer E.
Published: November 2016

In the present work, ETS‐10 microporous titanosilicate has been synthesized and its structure characterized by means of powder XRD and aberration corrected scanning transmission electron microscopy (Cs‐corrected STEM). For the first time, sodium ions have been imaged sitting inside the 7‐membered rings. The ion‐exchange capability has been tested by the inclusion of rare earth metals (Eu, Tb and Gd) to produce a luminescent material which has been studied by atomic‐resolution Cs‐corrected STEM. The data produced has allowed unambiguous imaging of light atoms in a microporous framework as well as determining the cationic metal positions for the first time, providing evidence of the importance of advanced electron microscopy methods for the study of the local environment of metals within zeolitic supports providing unique information of both systems (guest and support) at the same time.
Controlled Retention and Release of Biomolecular Transport Systems Using Shape‐Changing Polymer Bilayers
Authors: Stoychev Georgi , Reuther Cordula , Diez Stefan , Ionov Leonid
Published: November 2016

Biomolecular transport systems based on cytoskeletal filaments and motor proteins have become promising tools for a wide range of nanotechnological applications. In this paper, we report control of such transport systems using substrates with switchable shape. We demonstrate this approach on the example of microtubules gliding on surfaces of self‐folding polymer bilayers with adsorbed kinesin motors. The polymer bilayers are able to undergo reversible transitions between flat and tube‐like shapes that allow the externally controlled retention and release of gliding microtubules. The demonstrated approach, based on surfaces with reconfigurable topography, opens broad perspectives to control biomolecular transport systems for bioanalytical and sensing applications, as well as for the construction of subcellular compartments in the field of synthetic biology.
The Association of Forefoot Varus Deformity with Patellofemoral Cartilage Damage in Older Adult Cadavers
Authors: Lufler Rebecca S. , Stefanik Joshua J. , Niu Jingbo , Sawyer F. Kip , Hoagland Todd M. , Gross K. Douglas
Published: November 2016

Forefoot alignment may contribute to patellofemoral joint (PFJ) osteoarthritis (OA) via its influence on the closed chain kinematics of the lower limb. The purpose of this cadaveric study was to investigate the relationship between forefoot varus and ipsilateral cartilage damage in the medial and lateral PFJ. Forefoot alignment measurements were obtained from the feet of 25 cadavers (n = 50). Cartilage damage in the medial and lateral PFJ of each knee was scored using the Outerbridge scale. The relative odds of medial and lateral PFJ cartilage damage in limbs with forefoot varus and valgus were determined using logistic regression. The relationship between increasing varus alignment and increasing odds of medial and lateral PFJ cartilage damage was assessed. Of the 51% of limbs with forefoot varus, 91.3% had medial, and 78.3% had lateral PFJ cartilage damage, compared with 54.6% and 68.2% of those with forefoot valgus. The former also had 3.0 times (95% CI 1.2, 7.7) the odds of medial PFJ damage; no association was found with lateral damage (OR 1.4, 95% CI 0.7, 3.0). Feet in the highest tertile of varus alignment had 3.9 times (95% CI 10, 15.3, P = 0.058) the odds of medial PFJ damage as those in the lowest tertile. The results of this study suggest a relationship between forefoot varus and medial PFJ cartilage damage in older adults. As forefoot varus may be modified with foot orthoses, these findings indicate a potential role for orthoses in the treatment of medial PFJ OA. Anat Rec, 300:1032–1038, 2017. © 2016 Wiley Periodicals, Inc.
Effect of Lycopene and Rosmarinic Acid on Gentamicin Induced Renal Cortical Oxidative Stress, Apoptosis, and Autophagy in Adult Male Albino Rat
Authors: Bayomy Naglaa A. , Elbakary Reda H. , Ibrahim Marwa A. A. , Abdelaziz Eman Z.
Published: November 2016

Gentamicin nephrotoxicity accounts for 10%–15% of all cases of acute renal failure. Several natural antioxidants were found to be effective against drug‐induced toxicity. The possible protective effects of lycopene (Lyc) and rosmarinic acid (RA) alone or combined on gentamicin (Gen) induced renal cortical oxidative stress, apoptosis, and autophagy were evaluated. Sixty‐three rats were randomly divided into seven groups named: control, group II received RA 50 mg/kg/day, group III received Lyc 4 mg/kg/day, group IV received Gen 100 mg/kg/day, group V (RA + Gen), group VI (Lyc + Gen), and group VII (RA + Lyc + Gen). At the end of the experiment, kidney functions were estimated then the kidneys were sampled for histopathological, immunohistochemistry, and biochemical studies. Administration of rosmarinic acid and lycopene decreased elevated serum creatinine, blood urea nitrogen, renal malondialdehyde and immunoexpression of the proapoptotic protein (Bax), autophagic marker protein (LC3/B), and inducible nitric oxide synthase (iNOS) induced by gentamicin. They increased reduced glutathione, glutathione peroxidase, superoxide dismutase, and immunoexpression of the antiapoptotic protein (Bcl2). They also improved the histopathological changes induced by gentamicin. The combination therapy of rosmarinic acid and lycopene shows better protective effects than the corresponding monotherapy. Anat Rec, 300:1137–1149, 2017. © 2016 Wiley Periodicals, Inc.
Power and reversal power links for binary regressions: An application for motor insurance policyholders
Authors: Bazán J.L. , Torres‐Avilés F. , Suzuki A.K. , Louzada F.
Published: November 2016

In binary regression, symmetric links such as logit and probit are usually considered as standard. However, in the presence of unbalancing of ones and zeros, these links can be inappropriate and inflexible to fit the skewness in the response curve and likely to lead to misspecification. This is the case of covering some type of insurance, where it can be observed that the probability of a given binary response variable approaches zero at different rates than it approaches one. Furthermore, when usual links are considered, there is not a skewness parameter associated with the distribution chosen that, regardless of the linear predictor, is easily interpreted. In order to overcome such problems, a proposal for the construction of a set of new skew links is developed in this paper, where some of their properties are discussed. In this context, power links and their reversal versions are presented. A Bayesian inference approach using MCMC is developed for the presented models. The methodology is illustrated considering a sample of motor insurance policyholders selected randomly by gender. Results suggest that the proposed link functions are more appropriate than other alternative link functions commonly used in the literature. Copyright © 2016 John Wiley & Sons, Ltd.
Selective reduction in the expression of UGTs and SULTs, a novel mechanism by which piperine enhances the bioavailability of curcumin in rat
Authors: Zeng Xiaohui , Cai Dake , Zeng Qiaohuang , Chen Zhao , Zhong Guoping , Zhuo Juncheng , Gan Haining , Huang Xuejun , Zhao Ziming , Yao Nan , Huang Dane , Zhang Chengzhe , Sun Dongmei , Chen Yuxing
Published: November 2016

Curcumin (CUR) is known to exert numerous health‐promoting effects in pharmacological studies, but its low bioavailability hinders the development of curcumin as a feasible therapeutic agent. Piperine (PIP) has been reported to enhance the bioavailability of curcumin, but the underlying mechanism remains poorly understood. In an attempt to find the mechanism by which piperine enhances the bioavailability of curcumin, the dosage ratio (CUR: PIP) and pre‐treatment with piperine were hypothesized as key factors for improving the bioavailability in this combination. Therefore, combining curcumin with piperine at various dose ratios (1:1 to 100:1) and pre‐dosing with piperine (0.5–8 h prior to curcumin) were designed to investigate their contributions to the pharmacokinetic parameters of curcumin in rats and their effects on the expression of UGT and SULT isoforms. It was shown that the Cmax and AUC0‐t of curcumin were slightly increased by 1.29 and 1.67 fold at a ratio of 20:1, while curcumin exposure was enhanced significantly in all the piperine pre‐treated rats (0.5–8 h), peaking at 6 h (a 6.09‐fold and 5.97‐fold increase in Cmax and AUC0‐t, p < 0.01), regardless of the unchanged t1/2 and Tmax. Also observed was a time‐dependent inhibition of the hepatic expression of UGT1A6, 1A8, SULT1A1, 1A3, and the colonic expression of UGT1A6 that occurred within 6 h of piperine pre‐treatment but was reversed at 8 h, which correlated with the changes in curcumin exposure. Similarly, the inhibitory effect of piperine on most of the UGTs and SULTs are time‐dependent in Caco‐2 and HepG2 cells. It is concluded that piperine pre‐treatment time‐dependently improves the bioavailability of curcumin through the reversible and selective inhibition of UGTs and SULTs. Copyright © 2016 John Wiley & Sons, Ltd.
A Perspective on the Effects of Antigen Shedding on Targeted Delivery of Immunotoxins in Solid Tumors: A Mathematical Model Study
Authors: Kim Eunae , Pak Youngshang
Published: November 2016

Most tumor cells express specific antigen molecules, and these antigen molecules are shed from the cell surface. In targeted delivery of anti‐cancer agents in tumor tissues, immunotoxins or antibody drug conjugates are designed to kill the target cancer cells. Previously, shed antigens were presumed to be a factor preventing the delivery of immunotoxins to solid tumors, since shed antigens act as a decoy to hinder the effective delivery of toxin molecules in solid tumors. However, a recent mathematical model study showed that antigen shedding could be beneficial for the delivery of immunotoxins. In this work, using this mathematical model, the possible condition in which large antigen shedding positively or negatively affects the efficacy of the delivered immunotoxin was thoroughly investigated in terms of three biological variables: number of surface antigen molecules, endocytosis rate constant, and immunotoxin dose. The present study showed that the positive or negative effect of antigen shedding on the delivery efficiency could be modulated by these three key parameters.
A Theoretical Study on the Mechanism of Methylation of N‐methylaniline with CO2 and Silyl Hydrides
Authors: Li Weiyi , Kim Chan Kyung
Published: November 2016

The mechanism of methylation of N‐methylaniline with CO2 and the phenylsilane (PhSiH3) was studied using density functional theory (DFT) at the M05‐2X(THF, SMD)/6‐311++G**//M05‐2X/6‐31G* level. The calculations show that the three‐component reaction takes place from the reduction of CO2 with PhSiH3, forming the formoxysilane (FOS) species. This hydrosilylation step requires the highest activation free energy barrier (41.6 kcal/mol), and thus can be regarded as the rate‐determining step (RDS) for the entire reaction. Once the FOS species is formed, its subsequent formylation with the amine to formamide (FA) species and the two successive reductions of the FA species to the desired methylamine (MA) product are easy to proceed. Furthermore, our calculations show that 1,3‐diphenyldisiloxan‐1‐ol (PhSiH2OSiHOHPh) is together formed with the product MA. The Si–H bond activity in PhSiH2OSiHOHPh is higher than that in reactant PhSiH3 and intermediate phenylsilanol (PhSiH2OH). Thus, there exists a product catalysis as the activation free energy barrier for the FOS species formation is lowered to 36.9 kcal/mol when this species is used as a reducing agent.
The high expression instead of mutation of p53 is predictive of overall survival in patients with esophageal squamous‐cell carcinoma: a meta‐analysis
Authors: Zhao Ziran , Wang Pan , Gao Yibo , He Jie
Published: November 2016

Esophageal squamous‐cell carcinoma (ESCC) is one of the deadliest cancers where biomarkers are needed for assist guiding management. We performed a meta‐analysis to clarify the prognostic value of p53 high expression and TP53 mutations, which remain controversial for decades in patients with ESCC. We searched PubMed, Ovid MEDLINE, Embase, and Current Contents Connect to identify studies published between January 1990 and February 2016 of esophageal cancer populations that measured p53 expression and/or mutation status and reported hazard ratios (HRs), or adequate data for estimation of HRs for survival for p53‐defined subgroups. We calculated pooled HR and 95% confidence interval (CI) using a random‐effects model. A total of 56 eligible studies including 6537 patients were identified. The p53 high expression was associated with reduced survival (HR: 1.35, 95% CI: 1.21–1.50, I2 = 42%). In subgroup analyses, a greater prognostic effect was observed in those studies that reported survival for pure ESCC cohorts and were assessed at low risk of bias (HR: 1.46, 95% CI: 1.29–1.65, I2 = 8%). Patients with ESCC and p53 high expression have reduced overall survival, and this effect is independent of tumor stage and greater than that of TP53 mutations.
Populating virtual cities using social media
Authors: Bulbul Abdullah , Dahyot Rozenn
Published: November 2016

We propose to automatically populate geo‐located virtual cities by harvesting and analyzing online contents shared on social networks and websites. We show how pose and motion paths of agents can be realistically rendered using information gathered from social media. 3D cities are automatically generated using open‐source information available online. To provide our final rendering of both static and dynamic urban scenes, we use Unreal game engine.
Alternative Mechanistic Strategy for Enzyme Catalysis in a Ni‐Dependent Lactate Racemase (LarA): Intermediate Destabilization by the Cofactor
Authors: Zhang Xiaoyong , Chung Lung W.
Published: November 2016

Recently, a lactate racemase was discovered as a new Ni‐dependent enzyme with a unique tethered NAD‐like cofactor. We report the first computational study aimed at deciphering the previously unclear role of the Ni‐tethered cofactor in reactions of the lactate racemase. Our calculations revealed that the cofactor increases the dehydrogenation barriers. The formation of a metastable NADH‐like pyruvate intermediate and two nearby histidine bases are proposed as the key factors in the racemization reaction. Such destabilization of intermediates by the cofactor is uncommon in enzymatic catalysis. This result provides new insight into the design of a reactive metal‐tethered NADH‐like complex for synthetic hydrogenations.
Striking Doping Effects on Thermal Methane Activation Mediated by the Heteronuclear Metal Oxides [XAlO4].+ (X=V, Nb, and Ta)
Authors: Wu Xiao‐Nan , Li Jilai , Schlangen Maria , Zhou Shaodong , González‐Navarrete Patricio , Schwarz Helmut
Published: November 2016

The thermal reactivity of the heteronuclear metal‐oxide cluster cations [XAlO4].+ (X=V, Nb, and Ta) towards methane has been studied by using mass spectrometry in conjunction with quantum mechanical calculations. Experimentally, a hydrogen‐atom transfer (HAT) from methane is mediated by all the three oxide clusters at ambient conditions. However, [VAlO4].+ is unique in that this cluster directly transforms methane into formaldehyde. The absence of this reaction for the Nb and Ta analogues demonstrates a striking doping effect on the chemoselectivity in the conversion of methane. Mechanistic aspects of the two reactions have been elucidated by quantum‐chemical calculations. The HAT reactivity can be attributed to the significant spin density localized at the terminal oxygen atom (Ot.−) of the cluster ions, while the ionic/covalent character of the Lewis acid–base unit [X−Ob] plays a crucial role for the generation of formaldehyde. The mechanistic insight derived from this combined experimental/computational investigation may provide guidance for a more rational design of catalysts.
ChemInform Abstract: A Structural Investigation of Hydrous and Anhydrous Rare‐Earth Phosphates.
Authors: Rafiuddin Mohamed Ruwaid , Grosvenor Andrew P.
Published: November 2016

Rhabdophane‐type LnPO4·nH2O (Ln: La, Nd, Sm, Gd, Dy) and xenotime‐type Ln′PO4·nH2O (Ln′: Y, Yb) are prepared by a precipitation‐based method and characterized by powder XRD and XANES.
ChemInform Abstract: Environmental‐Friendly Yellow Pigments Based on Zr Doped Y4MoO9.
Authors: Chen Shuaifeng , Cai Mengjun , Ma Xinsheng
Published: November 2016

Polycrystalline Y4‐xZrxMoO9+δ (x = 0—0.8) is prepared by calcination of wet‐milled Y2O3, MoO3, and ZrO2 in air (alumina crucible, 1400 °C, 6 h).
ChemInform Abstract: A Facile Synthesis of Alloyed Mn‐Doped ZnSeS Nanoparticles Using a Modified Selenium/Sulfur Precursor in a One‐Pot Approach.
Authors: Zimdars Julia , Pilger Jan , Entrup Michael , Deiting Daniel , Schaefer Andreas H. , Bredol Michael
Published: November 2016

Highly luminescent Mn doped ZnSeS nanoparticles are prepared by adding a modified Se/S‐precursor solution consisting of Se powder, NaBH4, and different amounts of 1‐dodecanethiol in oleylamine to a solution of manganese stearate in 1‐octadecene at 240 °C.
ChemInform Abstract: Novel Nanoparticle‐Assembled Bi12GeO20 Hierarchical Structures: Facile Hydrothermal Synthesis and Excellent Photocatalytic Activity.
Authors: Huang Xin‐Hua , Zhang Lei , Song Jian , Cao Xiao‐Feng , Guo Yan‐Chuan
Published: November 2016

Preparative conditions for nanoparticle‐assembled Bi12GeO20 hierarchical structures are systematically studied to control the morphology, phase, and particle size.
ChemInform Abstract: Semiconductive K2MSbS3(SH) (M: Zn, Cd) Featuring One‐Dimensional ∞1 [M2Sb2S6(SH2)]4‐ Chains.
Authors: Zhang Xian , Yi Na , Hoffmann Roald , Zheng Chong , Lin Jianhua , Huang Fuqiang
Published: November 2016

Pale yellow crystals of the title compounds are prepared from mixtures of M(OAc)2 (M: Zn, Cd), KOH, Sb2S3, and thiourea as reactive flux (autoclave, 473 K, 4 d, 47% and 78% yield for the Zn and Cd compound, respectively).
ChemInform Abstract: From M(BH4)3 (M: La, Ce) Borohydride Frameworks to Controllable Synthesis of Porous Hydrides and Ion Conductors.
Authors: Ley Morten Brix , Joergensen Mathias , Cerny Radovan , Filinchuk Yaroslav , Jensen Torben R.
Published: November 2016

Ln(BH4)3 (Ln: La, Ce) is synthesized from mixtures of LnCl3 and LiBH4 in toluene (25 °C, 72 h).
ChemInform Abstract: Nitrosonium Nitratometallates NO[M(NO3)3] (M: Co, Ni): New Synthetic Approach and Crystal Structures
Authors: Deeva Evgeniya B. , Merkulova Anna V. , Troyanov Sergey I. , Zakharov Maxim A. , Tafeenko Viktor A. , Kozlovskii Vadim F. , Morozov Igor V.
Published: November 2016

Unknown monoclinic NO[Ni(NO3)3] and triclinic modifications of NO[M(NO3)3] (M: Ni, Co) are obtained from mixtures of N2O5, N2O4, HNO3, and Ni(NO3)2 or Co powder at 40 °C and 70 °C, resp.
ChemInform Abstract: Transition‐Metal‐Free Regioselective Alkylation of Pyridine N‐Oxides Using 1,1‐Diborylalkanes as Alkylating Reagents.
Authors: Jo Woohyun , Kim Junghoon , Choi Seoyoung , Cho Seung Hwan
Published: November 2016

An unprecedented base‐promoted alkylation of easily accessible heterocyclic N‐oxides using 1,1‐diborylalkanes as alkyl source is reported.
ChemInform Abstract: Asymmetric Transfer Hydrogenation of Imines Using Alcohol: Efficiency and Selectivity Are Influenced by the Hydrogen Donor.
Authors: Pan Hui‐Jie , Zhang Yao , Shan Chunhui , Yu Zhaoyuan , Lan Yu , Zhao Yu
Published: November 2016

For the first time, the influence of the alcohol on efficiency and selectivity of an asymmetric transfer hydrogenation of imines is reported.
ChemInform Abstract: Synthesis of Homopropargylamines from 2‐Cyanoazetidines.
Authors: Quinodoz P. , Wright K. , Drouillat B. , David O. , Marrot J. , Couty F.
Published: November 2016

The tin‐catalyzed reaction of 2‐cyanoazetidines with trimethylsilyl azide gives rise to homopropargylamines via tetrazole formation, azetidine ring opening, extrusion of two molecules of dinitrogen from tetrazol moiety, and Fritsch—Buttenberg—Wiechell rearrangement of carbene to alkyne.
ChemInform Abstract: Nickel‐Catalyzed Asymmetric Kumada Cross‐Coupling of Symmetric Cyclic Sulfates.
Authors: Eno Meredith S. , Lu Alexander , Morken James P.
Published: November 2016

The utility of the scalable reaction is demonstrated by the transformation of one product into a chroman derivative.
ChemInform Abstract: Sterically Demanding Oxidative Amidation of α‐Substituted Malononitriles with Amines Using O2.
Authors: Li Jing , Lear Martin J. , Hayashi Yujiro
Published: November 2016

Sterically and electronically demanding 1,1‐dicyanoalkanes react in a practical chemoselective manner with functionalized non‐chiral or chiral amines and molecular oxygen to provide various amides, including amino acid derivatives in high yields.
ChemInform Abstract: Synthesis of Tertiary Arylamines: Lewis Acid‐Catalyzed Direct Reductive N‐Alkylation of Secondary Amines with Ketones Through an Alternative Pathway.
Authors: Nayal Onkar S. , Thakur Maheshwar S. , Bhatt Vinod , Kumar Manoranjan , Kumar Neeraj , Singh Bikram , Sharma Upendra
Published: November 2016

The use of polymethylhydrosiloxane and Sn(OTf)2 as catalyst presents alternative reaction conditions for the reductive alkylation of aldehydes and ketones with anilines.
ChemInform Abstract: Grafting of Ru(III) Complex onto Nanosilica and Its Implication as Heterogeneous Catalyst for Aerobic Oxidative Hydroxylation of Arylboronic Acids.
Authors: Gogoi Nibedita , Gogoi Pradip K. , Borah Geetika , Bora Utpal
Published: November 2016

The catalyst used in the convenient procedure is recycled and reused in five additional catalytic cycles without loss of its activity.
ChemInform Abstract: Green Alternative Solvents for the Copper‐Catalyzed Arylation of Phenols and Amides.
Authors: Sambiagio Carlo , Munday Rachel H. , John Blacker A. , Marsden Stephen P. , McGowan Patrick C.
Published: November 2016

Aryl ethers are prepared by cross‐coupling of phenols with aryl iodides in isopropyl acetate as solvent.
ChemInform Abstract: Acceptorless Dehydrogenative Oxidation of Secondary Alcohols Catalyzed by Cp*IrIII—NHC Complexes.
Authors: Guelcemal Sueleyman , Guelcemal Derya , Whitehead George F. S. , Xiao Jianliang
Published: November 2016

The preparation of new Cp*IrIII—NHC complexes and their application in the highly efficient, chemoselective dehydrogenative oxidation of diverse secondary alcohols to ketones is examined.
ChemInform Abstract: A Powerful Chiral Phosphoric Acid Catalyst for Enantioselective Mukaiyama—Mannich Reactions.
Authors: Zhou Fengtao , Yamamoto Hisashi
Published: November 2016

Aromatic and aliphatic imines, including challenging N‐(hydroxyphenyl)‐substituted derivatives, are transformed with complex ketene silyl acetals bearing two different substituents on the vinyl carbon in the presence of chiral BINOL‐derived phosphoric acid or amide catalysts.
ChemInform Abstract: I2/Aqueous TBHP‐Catalyzed Coupling of Amides with Methylarenes/Aldehydes/Alcohols: Metal‐Free Synthesis of Imides.
Authors: Aruri Hariprasad , Singh Umed , Kumar Sanjay , Kushwaha Manoj , Gupta Ajai Prakash , Vishwakarma Ram A. , Singh Parvinder Pal
Published: November 2016

A series of control and radical scavenger experiments are also performed, which suggest the involvement of radical pathways and reveal water as a source of oxygen in the imides formed.
ChemInform Abstract: Palladium Catalysis Enables Benzylation of α,α‐Difluoroketone Enolates.
Authors: Yang Ming‐Hsiu , Hunt Jordan R. , Sharifi Niusha , Altman Ryan A.
Published: November 2016

The reaction provides α‐benzyl‐α,α‐difluoroketone based products in often high yields.
ChemInform Abstract: Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.
Authors: Zhang Guoxiang , Yang Shuang , Zhang Xiaoyan , Lin Qiqiao , Das Deb. K. , Liu Jian , Fang Xinqiang
Published: November 2016

The efficient, highly enantioselective preparation of a variety of tetralone derivatives with two contiguous stereocenters and diverse functional groups is described.
ChemInform Abstract: Reactivity of 2‐Thiazolylhydrazonomalononitrile Toward Carbon and Nitrogen Nucleophilic Reagents: Applications to the Synthesis of New Heterocycles.
Authors: El‐Mekabaty Ahmed , Habib Osman M. O. , Moawad Evelin B. , Hasel Ali M.
Published: November 2016

A variety of polyfunctionalized heterocycles is prepared using compound (I) as the key intermediate.
ChemInform Abstract: Iridium‐Catalyzed Intramolecular Methoxy C—H Addition to Carbon—Carbon Triple Bonds: Direct Synthesis of 3‐Substituted Benzofurans from o‐Methoxyphenylalkynes.
Authors: Torigoe Takeru , Ohmura Toshimichi , Suginome Michinori
Published: November 2016

Following a one‐pot intramolecular hydroalkylation double‐bond migration sequence various 1‐methoxy‐2‐(arylethynyl)benzene derivatives are transformed into benzofurans.
ChemInform Abstract: Catalyst‐Free Synthesis of 1‐Phenylnaphtho[2,1‐b]furan Derivatives under Microwave Irradiation.
Authors: Zheng Hua , Wang Baolong , Zhang Jinfu , Liao Jianhong , Peng Yiyuan
Published: November 2016

The title compounds are prepared by Michael addition of (E)‐(2‐nitrovinyl)benzenes and naphthalenols followed by cyclization in good yields.
ChemInform Abstract: Synthesis of Diversely Functionalized Oxindoles Enabled by Migratory Insertion of Isocyanide to a Transient σ‐Alkylpalladium(II) Complex.
Authors: Kong Wangqing , Wang Qian , Zhu Jieping
Published: November 2016

A series of domino processes involving migratory insertion of isocyanides to from N‐aryl acrylamides intramolecularly generated C(sp3)—Pd(II) complexes are developed.
ChemInform Abstract: Palladium‐Catalyzed Direct C‐2 Methylation of Indoles.
Authors: Tu Daoquan , Cheng Xiuzhi , Gao Yadong , Yang Panpan , Ding Yousong , Jiang Chao
Published: November 2016

In this novel and alternative route to 2‐methylindoles, the removable 2‐pyrimidyl group is preferentially used as directing group.
ChemInform Abstract: Transition‐Metal‐Free Oxychlorination of Alkenyl Oximes: In situ Generated Radicals with tert‐Butyl Nitrite.
Authors: Zhang Xiao‐Wei , Xiao Zu‐Feng , Wang Mei‐Mei , Zhuang Yan‐Jun , Kang Yan‐Biao
Published: November 2016

The method serves for the construction of chloroisoxazolines in high yields.
ChemInform Abstract: Enantioselective Allylic C—H Oxidation of Terminal Olefins to Isochromans by Palladium(II)/Chiral Sulfoxide Catalysis.
Authors: Ammann Stephen E. , Liu Wei , White M. Christina
Published: November 2016

Novel chiral aryl sulfoxide‐oxazoline ligands are synthesized and employed in the enantioselective synthesis of isochromans.
ChemInform Abstract: Metal‐Free [2 + 2 + 2] Cycloaddition of Ynamides and Nitriles: Mild and Regioselective Synthesis of Fully Substituted Pyridines.
Authors: Wang Yong , Song Li‐Juan , Zhang Xinhao , Sun Jianwei
Published: November 2016

The first trimolecular [2 + 2 + 2] cycloaddition of ynamides and nitriles is described.
ChemInform Abstract: Efficient Synthesis of Functionalized Pyrido[2,3‐c]coumarin Derivatives by a One‐Pot Three‐Component Reaction.
Authors: Chen Zhiwei , Hu Lele , Peng Fei
Published: November 2016

Pyrido[2,3‐c]coumarin derivatives (IV) and (VI) are readily prepared by MesOH‐mediated three‐component reaction of 3‐aminocoumarin with ketones and aromatic aldehydes using air as the oxidant.
ChemInform Abstract: Catalytic Asymmetric Synthesis of Dihydropyrido[1,2‐a]indoles from Nitrones and Allenoates.
Authors: Pace Wiktoria H. , Mo Dong‐Liang , Reidl Tyler W. , Wink Donald J. , Anderson Laura L.
Published: November 2016

Trans‐isomer‐enriched mixtures can be epimerized to the thermodynamically favoured cis‐isomer‐enriched mixtures (up to 19:1 cis/trans, slight increase in ee) by stirring in methanolic NaOH (25°C, 1 h).
ChemInform Abstract: An Efficient Synthesis of Benzazocines by Gold(I)‐Catalyzed Tandem 1,2‐Acyloxy Shift/[3 + 2] Cycloaddition of Terminal 1,9‐Enynyl Esters.
Authors: Feng Shangbiao , Wang Zhengshen , Zhang Weiwei , Xie Xingang , She Xuegong
Published: November 2016

The Au‐catalyzed tandem reaction of pivaloyl esters (I) and (VI) gives rise to diastereomeric mixtures of benzazocines (II)/(III) and (VII)/(VIII), whilst benzoyl ester (IX) affords benzazocine (X) with high diastereoselectivity.
ChemInform Abstract: Odoamide, a Cytotoxic Cyclodepsipeptide from the Marine Cyanobacterium Okeania sp.
Authors: Sueyoshi Kosuke , Kaneda Masato , Sumimoto Shinpei , Oishi Shinya , Fujii Nobutaka , Suenaga Kiyotake , Teruya Toshiaki
Published: November 2016

The structure of the 26‐membered cyclodepsipeptide odoamide (I) is established by spectroscopic analysis, HPLC analysis, and synthetic methods.
ChemInform Abstract: New Naphthalene Derivatives and Isoquinoline Alkaloids from Ancistrocladus cochinchinensis with Their Antiproliferative Activity on Human Cancer Cells.
Authors: Kiem Phan Van , et al.
Published: November 2016

Five new compounds, ancistronaphtosides A (I) and B (II), anciscochine (V), 4′‐methoxy‐5‐epi‐ancistecrorine A1 (V) and anciscochine glucopyranoside (III) are isolated and evaluated for their antiproliferative activity.
ChemInform Abstract: Low‐Concentration Eu2+‐Doped SrAlSi4N7: Ce3+ Yellow Phosphor for wLEDs with Improved Color‐Rendering Index.
Authors: Zhang Liangliang , Zhang Jiahua , Pan Guo‐Hui , Zhang Xia , Hao Zhendong , Luo Yongshi , Wu Huajun
Published: November 2016

SrAlSi4N7:0.05Ce3+,xEu2+ is a highly color‐tunable phosphor with emission shifting from 550 to 610 nm with increasing Eu2+ concentration.
ChemInform Abstract: Modeling Ceria‐Based Nanomaterials for Catalysis and Related Applications
Authors: Bruix Albert , Neyman Konstantin M.
Published: November 2016

Review: 169 refs.
ChemInform Abstract: Shining Light on Indium Phosphide Quantum Dots: Understanding the Interplay Among Precursor Conversion, Nucleation, and Growth
Authors: Cossairt Brandi M.
Published: November 2016

Review: 89 refs.
ChemInform Abstract: Recent Advances in Crystalline Hydrated Borates with Non‐metal or Transition‐metal Complex Cations
Authors: Beckett Michael A.
Published: November 2016

Review: 116 refs.
ChemInform Abstract: Synthesis of Diheteroatomic Five‐Membered Heterocyclic Compounds from α,β‐Unsaturated Aldehydes
Authors: Keiko N. A. , Vchislo N. V.
Published: November 2016

Review: [recently developed methods for the synthesis of five‐membered N,N‐, N,O‐, and N,S‐heterocycles; 124 refs.
ChemInform Abstract: Current Advances of Organocatalytic Michael—Michael Cascade Reaction in the Synthesis of Highly Functionalized Cyclic Molecules
Authors: Nayak Sabita , Panda Pravati , Bhakta Sujitlal , Mishra Sambita Kumar , Mohapatra Seetaram
Published: November 2016

Review: [47 refs.
ChemInform Abstract: Synthetic Approaches to 4‐(Het)aryl‐3,4‐dihydroquinolin‐2(1H)‐ones
Authors: Mierina Inese , Jure Mara , Stikute Agnese
Published: November 2016

Review: 132 refs.
ChemInform Abstract: Iron‐Catalyzed C—H Activation
Authors: Su Miaoshen , Li Cheng , Ma Jingjun
Published: November 2016

Review: 83 refs.
ChemInform Abstract: When Inert Becomes Active: A Fascinating Route for Catalyst Design
Authors: Lyalin Andrey , Gao Min , Taketsugu Tetsuya
Published: November 2016

Review: 62 refs.
ChemInform Abstract: Development of Nickel Hydrosilylation Catalysts
Authors: Nakajima Yumiko , Sato Kazuhiko , Shimada Shigeru
Published: November 2016

Review: [27 refs.
ChemInform Abstract: Nonracemic γ‐Lactones from the Sharpless Asymmetric Dihydroxylation of β,γ‐Unsaturated Carboxylic Esters
Authors: Neumeyer Markus , Brueckner Reinhard
Published: November 2016

Review: [146 refs.
ChemInform Abstract: Improving Transformations Through Organotrifluoroborates
Authors: Traister Kaitlin M. , Molander Gary A.
Published: November 2016

Review: 114 refs.
ChemInform Abstract: Palladium(II)‐Catalyzed Enantioselective Reactions Using COP Catalysts
Authors: Cannon Jeffrey S. , Overman Larry E.
Published: November 2016

Review: 47 refs.
ChemInform Abstract: The Ligand Influence in Stereoselective Carbene Transfer Reactions Promoted by Chiral Metal Porphyrin Catalysts
Authors: Intrieri Daniela , Carminati Daniela Maria , Gallo Emma
Published: November 2016

Review: 83 refs.
ChemInform Abstract: The Evolution of Pd0/PdII‐Catalyzed Aromatic Fluorination
Authors: Sather Aaron C. , Buchwald Stephen L.
Published: November 2016

Review: 39 refs.
ChemInform Abstract: Mechanically Interlocked Molecules Based on Pillar[n]arenes
Authors: Ogoshi Tomoki , Yamagishi Tada‐Aki
Published: November 2016

Review: [synthesis and properties of pillar[n]arene based supramolecular complexes].
ChemInform Abstract: Nonclassical Routes for Amide Bond Formation
Authors: deFigueiredo Renata Marcia , Suppo Jean‐Simon , Campagne Jean‐Marc
Published: November 2016

Review: 714 refs.
ChemInform Abstract: Palladium‐Catalyzed Direct Thiolation and Selenation of Aryl C—H Bonds Assisted by Directing Groups
Authors: Iwasaki Masayuki , Nishihara Yasushi
Published: November 2016

Review: 101 refs.
ChemInform Abstract: Fluorine and Gold: A Fruitful Partnership
Authors: Miro Javier , del Pozo Carlos
Published: November 2016

Review: new opportunities for the development of novel methodologies in fluoroorganic hemistry using gold catalysis; 259 refs.
ChemInform Abstract: Non‐Stabilized Enolates — Versatile Nucleophiles in Transition Metal‐Catalyzed Allylic Alkylations
Authors: Kazmaier Uli
Published: November 2016

Review: [124 refs.
ChemInform Abstract: Porphyrins and Phthalocyanines Catalyzed Direct C—H Arylation
Authors: To Ching Tat , Yang Wu , Chan Kin Shing
Published: November 2016

Review: [19 refs.
ChemInform Abstract: Nucleophilic and Electrophilic Activation of Non‐Heteroaromatic Amides in Atom‐Economical Asymmetric Catalysis
Authors: Kumagai Naoya , Shibasaki Masakatsu
Published: November 2016

Review: [35 refs.
ChemInform Abstract: Stereoselective Synthetic Approaches Towards (S)‐Duloxetine: 2000 to Date
Authors: Larik Fayaz Ali , Saeed Aamer , Channar Pervaiz Ali , Mehfooz Haroon
Published: November 2016

Review: [31 refs.
ChemInform Abstract: Review of NMR Studies of Nanoscale Molecular Magnets Composed of Geometrically Frustrated Antiferromagnetic Triangles
Authors: Furukawa Yuji
Published: November 2016

Review: 68 refs.
ChemInform Abstract: Design and Applications of Protein‐Cage‐Based Nanomaterials
Authors: Zhang Yu , Ardejani Maziar S. , Orner Brendan P.
Published: November 2016

Review: [125 refs.
ChemInform Abstract: Selective Molecular Recognition on Calixarene‐Functionalized 3D Surfaces
Authors: Zhang Fan , Sun Yue , Tian Demei , Shin Weon Sup , Kim Jong Seung , Li Haibing
Published: November 2016

Review: 68 refs.
ChemInform Abstract: Industrial Applications of Gold Catalysis
Authors: Ciriminna Rosaria , Falletta Ermelinda , Della Pina Cristina , Teles Joaquim Henrique , Pagliaro Mario
Published: November 2016

Review: [60 refs.
ChemInform Abstract: Mobius‐Huckel Topology Switching in Expanded Porphyrins: EPR, ENDOR, and DFT Studies of Doublet and Triplet Open‐Shell Systems
Authors: Moebius Klaus , Savitsky Anton , Lubitz Wolfgang , Plato Martin
Published: November 2016

Review: 68 refs.
Numerical study on the influence of dispersed bubbles on liquid‐phase apparent viscosity in two‐dimensional parallel plate
Authors: Pang Mingjun , Xu Lei
Published: November 2016

Bubbly liquid exists widely in industrial fields, so the detailed understanding of physical properties of bubbly liquid is significant for improving product quality and for strengthening industrial processes. In this paper, in order to understand the modulation mechanism of bubbles on the liquid‐phase apparent viscosity, based on the two‐dimensional parallel plate model, the effect of dispersed bubbles on the liquid‐phase apparent viscosity was deeply investigated with the volume of fluid (VOF) method combined with a dynamic mesh. The influence of the volume fraction, the capillary number, and the distance between bubbles on the liquid‐phase apparent viscosity was studied in detail for the dispersed bubbly liquid. The present studies show that both the capillary number and the volume fraction have a great effect on the liquid‐phase apparent viscosity; for the cases with the same volume fraction, the bubble injection causes the decrease of the relative viscosity of the liquid phase when the capillary number of bubbles is relatively large (Ca > 0.5), and the larger the volume fraction is, the more sharply the relative viscosity of the liquid phase decreases. However, under the same volume fraction, the relative viscosity of the liquid phase increases when the capillary number of bubbles is relatively small (Ca < 0.5), and the higher the volume fraction is, the more obviously the relative viscosity of the liquid phase increases. In addition, as the volume fraction increases, the bubble‐bubble interaction becomes very important, and the contribution of each bubble to the shear stress (i.e. the liquid apparent viscosity) decreases.
Flow characteristics and wear prediction of Herschel‐Bulkley non‐Newtonian paste backfill in pipe elbows
Authors: Gharib Nima , Bharathan Bhargav , Amiri Leyla , McGuinness Maureen , Hassani Ferri P. , Sasmito Agus P.
Published: November 2016

Backfill process has become standard practice in mining industry where the backfill slurry is transported from surface to underground via a pipeline system. Paste backfill is one of the types of backfill slurries which in recent years has gained popularity due to its reduced water content, fast solidification time, and environmentally friendly reputation. However, wear and erosion of the pipe have been a major issue in some paste backfill pipeline operations. Paste backfill behaves as a non‐Newtonian fluid and can be modelled as a Herschel‐Bulkley fluid. To better understand the flow behaviour and wear rate of paste backfill in underground pipeline systems, experimental and numerical studies were carried out. The former focuses on the slump test and L‐pipe flow test to characterize paste backfill properties, while the latter aims to develop a three‐dimensional mathematical model to evaluate flow and wear characteristics in pipe elbows. To ensure robust and accurate solutions, the model was verified with analytical solutions and validated against experimental data. The numerical results suggest that elbow design and paste backfill property significantly affect secondary flow generation which is further reflected in the pipe wear rate. Thicker paste backfill slurry flowing in the 5D elbow yields the lowest wear rate which is beneficial for practical application, albeit it comes at a higher pressure drop.
Periodontitis and health‐related quality of life in hemodialysis patients
Authors: Iwasaki Masanori , Borgnakke Wenche S. , Awano Shuji , Yoshida Akihiro , Hamasaki Tomoko , Teratani Gou , Kataoka Shota , Kakuta Satoko , Soh Inho , Ansai Toshihiro , Nakamura Hidetoshi
Published: November 2016

Periodontitis is common among dialysis patients. The current cross‐sectional study aimed to explore associations between periodontitis and health‐related quality of life (HRQoL) among hemodialysis patients. Data from 188 dentate patients undergoing hemodialysis between May and July 2008 at a medical center in Kitakyushu city, Japan, were analyzed while applying modified Centers for Disease Control and Prevention/American Academy of Periodontology periodontitis case definitions to categorize the participants into the following three groups: severe, moderate, and no/mild periodontitis, respectively. HRQoL was assessed by the Medical Outcomes Study 36‐Item Short Form Health Survey (SF‐36) where a higher score indicates better health status. Associations between periodontitis groups and the eight health domains of SF‐36 were evaluated using general linear models that were adjusted for age, sex, underlying cause of dialysis, duration of dialysis, comorbidities, serum biomarkers, body mass index, smoking status, and alcohol use. Among the 188 participants, 18 (9.6%) had severe periodontitis, 100 (53.2%) had moderate periodontitis, and the remaining 70 (37.2%) had no/mild periodontitis. Compared with the participants with no/mild periodontitis, those with severe periodontitis had worse scores in the following five of eight SF‐36 health scales: physical functioning, role physical, vitality, social functioning, and mental health (P < 0.05). The findings suggest an independent relationship between severe periodontitis and decreased HRQoL among dialysis patients.
Transformation of Cellulose into Nonionic Surfactants Using a One‐Pot Catalytic Process
Authors: Climent María J. , Corma Avelino , Iborra Sara , Martínez‐Silvestre Sergio
Published: November 2016

Alkyl glucosides surfactants are synthesized by a cascade process that involves the methanolysis of cellulose into methyl glucosides followed by the transacetalization with n‐octanol. The first step was performed using methanol as solvent and acid catalysts (such as, inorganic acids, heteropolyacids, ionexchange resins, or modified carbon materials). Subsequently, long‐chain alkyl glucosides are obtained in the second step by transacetalization, which involves the reaction of methyl glucosides with a fatty alcohol using the same acid catalyst. The overall process was performed under mild conditions. Amorphous sulfonated carbon catalyst achieved the best results for the complete conversion of cellulose in methanol at 200 °C with methyl α,β‐glucopyranosides yields higher than 80 %. Moreover, this material containing −SO3H groups is ideal to perform the second step to obtain octyl and decyl glucosides in yields higher than 73 % at 120 °C. In addition, the sulfonated carbon catalyst (C−SO3H) can be reused with only a slightly decrease of its activity after four consecutive cycles.