bluuebunny/crossref_metadata_2025 huggingface dataset:
Promoted Glycerol Oxidation Reaction in an Interface‐Confined Hierarchically Structured Catalyst
Authors: Chen Zhongxin , Liu Cuibo , Zhao Xiaoxu , Yan Huan , Li Jing , Lyu Pin , Du Yonghua , Xi Shibo , Chi Kai , Chi Xiao , Xu Haisen , Li Xing , Fu Wei , Leng Kai , Pennycook Stephen J. , Wang Shuai , Loh Kian Ping
Published: November 2018

Confined catalysis in a 2D system is of particular interest owing to the facet control of the catalysts and the anisotropic kinetics of reactants, which suppress side reactions and improve selectivity. Here, a 2D‐confined system consisting of intercalated Pt nanosheets within few‐layered graphene is demonstrated. The strong metal–substrate interaction between the Pt nanosheets and the graphene leads to the quasi‐2D growth of Pt with a unique (100)/(111)/(100) faceted structure, thus providing excellent catalytic activity and selectivity toward one‐carbon (C1) products for the glycerol oxidation reaction. A hierarchically porous graphene architecture, grown on carbon cloth, is used to fabricate the confined catalyst bed in order to enhance the mass‐diffusion limitation in interface‐confined reactions. Owing to its unique 3D porous structure, this graphene‐confined Pt catalyst exhibits an extraordinary mass activity of 2910 mA mgPt
−1 together with a formate selectivity of 79% at 60 °C. This paves the way toward rational designs of heterogeneous catalysts for energy‐related applications.
Robust Tin‐Based Perovskite Solar Cells with Hybrid Organic Cations to Attain Efficiency Approaching 10%
Authors: Jokar Efat , Chien Cheng‐Hsun , Tsai Cheng‐Min , Fathi Amir , Diau Eric Wei‐Guang
Published: November 2018

The stability of a tin‐based perovskite solar cell is a major challenge. Here, hybrid tin‐based perovskite solar cells in a new series that incorporate a nonpolar organic cation, guanidinium (GA+), in varied proportions into the formamidinium (FA+) tin triiodide perovskite (FASnI3) crystal structure in the presence of 1% ethylenediammonium diiodide (EDAI2) as an additive, are reported. The device performance is optimized at a precursor ratio (GAI:FAI) of 20:80 to attain a power conversion efficiency (PCE) of 8.5% when prepared freshly; the efficiencies continuously increase to attain a record PCE of 9.6% after storage in a glove‐box environment for 2000 h. The hybrid perovskite works stably under continuous 1 sun illumination for 1 h and storage in air for 6 days without encapsulation. Such a tin‐based perovskite passes all harsh standard tests, and the efficiency of a fresh device, 8.3%, is certified. The great performance and stability of the device reported herein attains a new milestone for lead‐free perovskite solar cells on a path toward commercial development.
Improved Outcoupling Efficiency and Stability of Perovskite Light‐Emitting Diodes using Thin Emitting Layers
Authors: Zhao Lianfeng , Lee Kyung Min , Roh Kwangdong , Khan Saeed Uz Zaman , Rand Barry P.
Published: November 2018

Hybrid organic–inorganic perovskite semiconductors have shown potential to develop into a new generation of light‐emitting diode (LED) technology. Herein, an important design principle for perovskite LEDs is elucidated regarding optimal perovskite thickness. Adopting a thin perovskite layer in the range of 35–40 nm is shown to be critical for both device efficiency and stability improvements. Maximum external quantum efficiencies (EQEs) of 17.6% for Cs0.2FA0.8PbI2.8Br0.2, 14.3% for CH3NH3PbI3 (MAPbI3), 10.1% for formamidinium lead iodide (FAPbI3), and 11.3% for formamidinium lead bromide (FAPbBr3)‐based LEDs are demonstrated with optimized perovskite layer thickness. Optical simulations show that the improved EQEs source from improved light outcoupling. Furthermore, elevated device temperature caused by Joule heating is shown as an important factor contributing to device degradation, and that thin perovskite emitting layers maintain lower junction temperature during operation and thus demonstrate increased stability.
Tri‐Functional Elemental Sulfur Enabling Bis‐Heteroannulation of Methyl Ketoximes with Methyl N‐Heteroarenes
Authors: Huang Huawen , Wang Qian , Xu Zhenhua , Deng Guo‐Jun
Published: November 2018

No Abstract

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Oxazolinyl‐Assisted Ru(II)‐Catalyzed C−H Functionalization Based on Carbene Migratory Insertion: A One‐Pot Three‐Component Cascade Cyclization
Authors: Kumar Gangam Srikanth , Khot Nandkishor Prakash , Kapur Manmohan
Published: November 2018

A rare, ruthenium‐catalyzed, oxazolinlyl assisted C−H functionalization and three‐component cascade cyclization for the synthesis of isoquinolinones via a metal‐carbene migratory insertion is reported. The transformation is unique since it involves the formation of multiple bonds in one pot via C−H functionalization and ring opening of oxazolines. Detailed mechanistic investigations reveal interesting insights on the mode of transformation, involving reversible C−H activation, migratory insertion of the diazo compound and cascade cyclization as the key step of the transformation.

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Comparative Analysis of Protein Hydration from MD simulations with Additive and Polarizable Force Fields
Authors: Ngo Van A. , Fanning John Keenan , Noskov Sergei Yu
Published: November 2018

Recent development of the Drude polarizable (Drude) force field (FF), based on the extension of an induced dipole model, has reached a milestone in the past few years providing a complete set of polarizable parameters for proteins, water, ions, and many lipid types. This FF enables stable simulations up to microseconds, surpassing the capability of other polarizable FFs. The quality of the Drude FF, however, has remained largely untested for modeling the secondary structures of small peptides in explicit solvents compared with classical non‐polarizable FFs. It is critical to benchmark the complex and mutually dependent dynamics of hydrogen‐bond (H‐bond) networks formed by water–water, protein–water, and protein–protein interactions that are expected to have a major impact on the stability of protein structures and their conformational space. Here, a direct comparison is presented between the current Drude FF and the CHARMM‐36 non‐polarizable classical FF for 1) the solvation free energy of mimetics for all amino acid side‐chain equivalents, 2) limited conformational space, 3) protein–water and protein–protein interactions, and 4) the comparative lifetimes of H‐bonds. The impact of counterions on the stabilization of secondary structure in model peptides is additionally discussed and compared between these FFs.
Role of induction chemotherapy in sinonasal malignancies: a systematic review
Authors: Khoury Tawfiq , Jang David , Carrau Ricardo , Ready Neal , Barak Ian , Hachem Ralph Abi
Published: November 2018

Background

Cancers of the paranasal sinuses are rare tumors that tend to be aggressive and usually are diagnosed at an advanced stage. Despite being rare, these tumors include a wide spectrum of histological subtypes with different biological behaviors. Choosing the optimal treatment modalities and analyzing the different oncological outcomes is therefore challenging. This study aims to evaluate the role of induction chemotherapy prior to definitive local therapy for sinonasal malignancies.

Methods

A systematic review of the literature in accordance with Preferred Reporting Items for Systematic Reviews and Meta‐Analyses (PRISMA) guidelines was conducted. With the assistance of a medical librarian, data sources including MEDLINE, PubMed, Cochrane library, EMBASE, NCBI Bookshelf, National Guideline Clearinghouse, and Clinicaltrials.gov were searched using a customized search strategy that yielded 1758 articles. Inclusion criteria used were as follows: (1) the study has a patient population with 3 or more patients with previously untreated sinonasal malignancies; (2) patients underwent induction chemotherapy prior to definitive local therapy; (3) pretreatment staging information was documented; (4) overall survival was reported by histology type either in table or Kaplan‐Meier format. Nine studies with 220 patients ultimately met inclusion criteria and were analyzed in groups based on tumor histology.

Results

For squamous cell carcinoma (SCC), the 5‐year overall survival was 51%. For neuroendocrine tumors, the 5‐year overall survival was 78%. Eighteen percent (18%) of patients with pretreatment orbital involvement ultimately underwent orbital exenteration.

Conclusion

Induction chemotherapy in the management of sinonasal malignancies has similar overall survival outcomes as other standard treatment modalities and can be offered as an option to patients as part of multimodality therapy.
Pd‐Catalyzed Atroposelective C−H Allylation through β‐O Elimination: Diverse Synthesis of Axially Chiral Biaryls
Authors: Liao Gang , Li Bing , Chen Hao‐Ming , Yao Qi‐Jun , Xia Yu‐Nong , Luo Jun , Shi Bing‐Feng
Published: November 2018

Biaryl atropisomers are of great importance in natural products, pharmaceuticals, and asymmteric synthesis. The efficient synthesis of these chiral scaffolds with full enantiocontrol and high diversity remains challenging. Reported herein is a Pd‐catalyzed atroposelective C−H allylation with tert‐leucine as an efficient catalytic chiral transient auxiliary. A wide range of enantioenriched biaryl aldehydes were prepared in synthetically useful yields with excellent enantioselectivity (up to >99 % ee) through β‐O elimination. The reaction could be carried out on a gram scale without erosion of the ee value. A variety of axially chiral carboxylic acids could be obtained with high enantiopurity. The resulting axially chiral biaryl aldehydes and carboxylic acids might be used in asymmetric synthesis as chiral ligands and/or organocatalysts.
Mechanistic investigation of Sono–Phosphotungstic acid/phase transfer agent assisted oxidative desulfurization of liquid fuel
Authors: Bal Dharmendra Kumar , Bhasarkar Jaykumar B.
Published: November 2018

The aim of this paper is to identify the physical and chemical mechanism of ultrasound in presence of phase transfer agent (PTA) and phosphotungstic acid on desulfurization process. With different experimental procedures, we made an effort to identify the individual effect of phase transfer agent and ultrasound on oxidative desulfurization. Ultrasound‐assisted process is the modern technique to enhance the kinetic of the liquid–liquid heterogeneous system. Physical and intrinsic properties of liquid fuels such as diffusivity of PTA‐cation complex and also through effect on cavitation have a strong influence on Desulfurization of liquid fuels. Due to low vapor pressure of solvents, the beneficial effect of higher static pressure (that eliminates cavitation effect) is not seen in present reaction system. Phase transfer agent or phosphotungustic acid‐assisted ultrasound desulfurization has radical and ionic reaction mechanism, which is revealed in terms of lower activation energy (energetic nature of radicals) as well as collision factor (due to instability of radicals) than magnetically stirred system. This study has revealed crucial mechanistic aspects of ultrasound assisted oxidative desulfurization in presence of phase transfer agent and phosphotungustic acid, which will give more insight for further research.
Overview of the History of the Cranial Nerves: From Galen to the 21st Century
Authors: Porras‐Gallo María Isabel , Peña‐Meliáan Áangel , Viejo Fermín , Hernáandez Tomáas , Puelles Eduardo , Echevarria Diego , Ramón Sañudo José
Published: November 2018

Throughout history the description and classification of the cranial nerves has been linked to the development and characteristics of anatomy and the role that it played as a tool in providing rationality to medicine, together with social, cultural, religious, and philosophical factors. Anatomists were interested in the cranial nerves, but they disagreed on their number and their paths. We can divide the history of the cranial nerves into three different periods: the first, early or macroscopic period; the second or microscopic period; and the third period or ontogenesis and genoarchitecture. The main aim of this article is to show how the description and knowledge of the cranial nerves were developed in the course of these three periods, and to highlight the main changes produced and the factors related to these changes. We describe how the first period was mainly focused on establishing the definition, number and paths of the cranial nerves, through contributions ranging from Galen's studies in the second century to Sömmerring's Doctoral Dissertation in 1778 that described 12 cranial nerves for the first time. Then, the microscopic period was concentrated on the identification of the real nuclei of origin of the different cranial nerves located in the brain stem. Finally came the third period, or ontogenesis and genoarchitecture of the rhombecephalic and mesencephalic cranial nerve nuclei. Anat Rec, 302:381–393, 2019. © 2018 Wiley Periodicals, Inc.
Maternal hypertension and hypospadias in offspring: A systematic review and meta‐analysis
Authors: Sheriff Fatima R. , Lopez Adriana , Lupo Philip J. , Seth Abhishek , Jorgez Carolina , Agopian A.J.
Published: November 2018

Background

Several studies have reported an association between maternal hypertensive disorders and hypospadias in offspring; however there is still debate on the role of maternal hypertension and preeclampsia on this relatively common congenital malformation. Therefore, we conducted a systematic review and meta‐analysis to comprehensively evaluate the relationship between these frequent maternal conditions and hypospadias in offspring.

Methods

Fifteen articles meeting the eligibility criteria were identified in our search and included in the analysis. A meta‐analysis was conducted and pooled odds ratio (OR) estimates were calculated separately for hypertension and preeclampsia using meta‐analysis. We also conducted several secondary analyses, including (a) studies conducted before versus after January 1, 1998; (b) studies in United States versus other countries; and (c) studies that accounted for ≥3 versus fewer or no potential confounders, among others.

Results

Significant positive associations were observed between hypertension and hypospadias (OR 1.68; 95% CI 1.46–1.93), as well as preeclampsia and hypospadias (OR 2.18; 95% CI 1.63–2.91). The direction and magnitude of effect was comparable for the majority of secondary analyses conducted.

Conclusions

Our results indicate that maternal hypertensive disorders are positively associated with hypospadias in offspring. Further research is needed to better understand the mechanisms involved, and to ultimately develop public health strategies geared toward prevention of hypospadias.
Metabolic flux balance analysis during lactate and glucose concomitant consumption in HEK293 cell cultures
Authors: Martínez‐Monge Iván , Albiol Joan , Lecina Martí , Liste‐Calleja Leticia , Miret Joan , Solà Carles , Cairó Jordi J.
Published: November 2018

At early stages of the exponential growth phase in HEK293 cell cultures, the tricarboxylic acid cycle is unable to process all the amount of NADH generated in the glycolysis pathway, being lactate the main by‐product. However, HEK293 cells are also able to metabolize lactate depending on the environmental conditions. It has been recently observed that one of the most important modes of lactate metabolization is the cometabolism of lactate and glucose, observed even during the exponential growth phase. Extracellular lactate concentration and pH appear to be the key factors triggering the metabolic shift from glucose consumption and lactate production to lactate and glucose concomitant consumption. The hypothesis proposed for triggering this metabolic shift to lactate and glucose concomitant consumption is that HEK293 cells metabolize extracellular lactate as a response to both extracellular protons and lactate accumulation, by means of cotransporting them (extracellular protons and lactate) into the cytosol. At this point, there exists a considerable controversy about how lactate reaches the mitochondrial matrix: the first hypothesis proposes that lactate is converted into pyruvate in the cytosol, and afterward, pyruvate enters into the mitochondria; the second alternative considers that lactate enters first into the mitochondria, and then, is converted into pyruvate. In this study, lactate transport and metabolization into mitochondria is shown to be feasible, as evidenced by means of respirometry tests with isolated active mitochondria, including the depletion of lactate concentration of the respirometry assay. Although the capability of lactate metabolization by isolated mitochondria is demonstrated, the possibility of lactate being converted into pyruvate in the cytosol cannot be excluded from the discussion. For this reason, the calculation of the metabolic fluxes for an HEK293 cell line was performed for the different metabolic phases observed in batch cultures under pH controlled and noncontrolled conditions, considering both hypotheses. The main objective of this study is to evaluate the redistribution of cellular metabolism and compare the differences or similarities between the phases before and after the metabolic shift of HEK293 cells (shift observed when pH is not controlled). That is from a glucose consumption/lactate production phase to a glucose‐lactate coconsumption phase. Interestingly, switching to a glucose and lactate cometabolization results in a better‐balanced cell metabolism, with decreased glucose and amino acids uptake rates, affecting minimally cell growth. This behavior could be applied to further develop new approaches in terms of cell engineering and to develop improved cell culture strategies in the field of animal cell technology.
Bioanalytical technique for determination of tasimelteon in human plasma by LC–MS/MS and its application to pharmacokinetic study in humans
Authors: Yadlapalli Siva Sankara Rao , Karra Vijaya Kumari , Kommineni Vinutha , Katari Naresh Kumar , Manabolu Surya Surendra Babu
Published: November 2018

A highly sensitive, specific and rapid liquid chromatography–tandem mass spectrometry technique for the quantification of tasimelteon in human plasma has been developed and validated using tasimelteon‐d5 as internal standard. Liquid–liquid extraction technique with ethyl acetate was used for extraction of tasimelteon from the plasma. The chromatographic separation was achieved on an Agilent Zorbax, Eclipse, C18 (4.6 × 50 mm, 5 μm) column using a mobile phase of acetonitrile and 0.02% formic acid buffer (85:15, v/v) with a flow rate of 0.5 mL/min. A detailed method validation was performed as per the United States Food and Drug Administration guidelines. The linear calibration curve was obtained over the concentration range 0.30–299 ng/mL. The API‐4000 liquid chromatography–tandem mass spectrometry was operated under multiple reaction monitoring mode during analysis. The validated method was successfully applied to estimate plasma concentration of tasimelteon after oral administration of a single dose of a 20 mg capsule in healthy volunteers under fasting conditions. The maximum concentration of the drug achieved in the plasma was 314 ± 147 ng/mL and the time at which this concentration was attained was 0.54 ± 0.22 h.
Natural Multi‐Target Inhibitors of Cholinesterases and Monoamine Oxidase Enzymes with Antioxidant Potential from Skin Extracts of Hypsiboas cordobae and Pseudis minuta (Anura: Hylidae)
Authors: Spinelli Roque , Sanchis Ivan , Aimaretti Florencia M. , Attademo Andres M. , Portela Madelon , Humpola Maria V. , Tonarelli Georgina G. , Siano Alvaro S.
Published: November 2018

Alzheimer's disease (AD) is the most common cause of dementia, characterized by loss of selective neuronal and normal brain functions. Every year, ten million new cases are diagnosed worldwide. AD is a complex disease associated with all kind of different pathways, making their simultaneous modulation necessary. Nowadays anti‐AD treatments are focused on enzymatic inhibitors. The study of the amphibians’ skin had acquired great importance in the fields of biology and human health and represents an attractive and novel source for natural compounds with high potential in the development of new drugs. The present work exhibits the power of amphibian skins as a source of bioactive compounds. Herein we report the activity of extracts of two species from Hylidae family (H. cordobae and P. minuta) as reversible inhibitors of acetylcholinesterase and butyrylcholinesterase enzymes. Furthermore, the extracts inhibit MAO−B enzyme and showed antioxidant activities, acting on four important pathways of AD.
Effects of anoxic exposure on the nuclear factor of activated T cell (NFAT) transcription factors in the stress‐tolerant wood frog
Authors: Al‐Attar Rasha , Storey Kenneth B.
Published: November 2018

The wood frog, Lithobates sylvaticus (also known as Rana sylvatica), is used for studying natural freeze tolerance. These animals convert 65% to 70% of their total body water into extracellular ice and survive freezing for weeks in winter. Freezing interrupts oxygen delivery to organs; thus, wood frogs limit their ATP usage by depressing their metabolism and redirecting the available energy only to prosurvival processes. Here, we studied the nuclear factor of activated T cell (NFAT) transcription factor family in response to 24‐hour anoxia, and 4‐hour aerobic recovery in liver and skeletal muscle. Protein expression levels of NFATc1‐c4, calcineurin A and glycogen synthase kinase 3β (NFAT regulators), osteopontin, and atrial natriuretic peptide (ANP) (targets of NFATc3 and NFATc4, respectively) were measured by immunoblotting, and the DNA‐binding activities of NFATc1‐c4 were measured by DNA‐protein interaction ELISAs. Results show that NFATc4, calcineurin, and ANP protein expression as well as NFATc4 DNA binding increased during anoxia in liver where calcineurin and ANP protein levels and NFATc4 DNA binding remaining high after aerobic recovery. Anoxia caused a significant increase in NFATc3 protein expression but not DNA‐binding activity in muscle. Our results show that anoxia can increase NFATc4 transcriptional activity in liver, leading to the increase in expression of cytoprotective genes in the wood frog. Understanding the molecular mechanisms involved in mediating survival under anoxia/reoxygenation conditions in a naturally stress‐tolerant model, such as the wood frog, provides insightful information on the prosurvival regulatory mechanisms involved in combating stress. This information will also further our understanding of metabolic rate depression and answer the question of how frogs tolerate prolonged periods of oxygen deprivation and resume to full function upon recovery without facing any detrimental side effects as other animals would.
Production of (S)‐β‐Nitro Alcohols by Enantioselective C−C Bond Cleavage with an R‐Selective Hydroxynitrile Lyase
Authors: Rao D. H. Sreenivasa , Padhi Santosh Kumar
Published: November 2018

Hydroxynitrile lyase (HNL)‐catalysed stereoselective synthesis of β‐nitro alcohols from aldehydes and nitroalkanes is considered an efficient biocatalytic approach. However, only one S‐selective HNL—Hevea brasiliensis (HbHNL)—exists that is appropriate for the synthesis of (S)‐β‐nitro alcohols from the corresponding aldehydes. Further, synthesis catalysed by HbHNL is limited by low specific activity and moderate yields. We have prepared a number of (S)‐β‐nitro alcohols, by kinetic resolution with the aid of an R‐selective HNL from Arabidopsis thaliana (AtHNL). Optimization of the reaction conditions for AtHNL‐catalysed stereoselective C−C bond cleavage of racemic 2‐nitro‐1‐phenylethanol (NPE) produced (S)‐NPE (together with benzaldehyde and nitromethane, largely from the R enantiomer) in up to 99 % ee and with 47 % conversion. This is the fastest HNL‐catalysed route known so far for the synthesis of a series of (S)‐β‐nitro alcohols. This approach widens the application of AtHNL for the synthesis not only of (R)‐ but also of (S)‐β‐nitro alcohols from the appropriate substrates. Without the need for the discovery of a new enzyme, but rather by use of a retro‐Henry approach, it was used to generate a number of (S)‐β‐nitro alcohols by taking advantage of the substrate selectivity of AtHNL.
Long‐term results of carotid stenting and risk factors in patients with severe carotid artery stenosis undergoing subsequent cardiac surgery
Authors: Habib Najibullah , Mahmoodi Bakhtawar K. , Suttorp Maarten J. , Kelder Johannes C. , Tromp Selma C. , Sonker Uday , Van der Heyden Jan
Published: November 2018

Aims

To identify risk factors for composite outcome of mortality, stroke or myocardial infarction in patients with severe carotid stenosis undergoing staged carotid artery stenting (CAS) with subsequent cardiac surgery.

Methods and Results

In this prospective observational study, we enrolled 643 consecutive patients with both symptomatic (i.e., with history of stroke) and asymptomatic severe carotid artery disease, who required cardiac surgery. Generally, cardiac surgery was planned 30 days after the CAS procedure. The composite outcome consisted of death, stroke and myocardial infarction.

The composite outcome rate was 26.3% at 5 years and 47% at 8 years after CAS. Age ≥ 80 years (hazard ratio [HR] = 1.89; 95%CI, 1.18–3.03; P = 0.008), history of stroke (HR = 1.66, 1.16–2.37; P = 0.006), chronic obstructive pulmonary disease (HR = 1.86; 1.07–3.24; P = 0.03) and kidney disease (HR = 1.83, 1.11–3.04; P = 0.02) were independent risk factors for the composite outcome during long‐term follow‐up.

Conclusions

In this study with staged CAS followed by cardiac surgery, we confirm previously reported event‐free survival rates and identify several risk factors for the composite outcome. Future studies are needed to confirm the importance of the identified risk factors and to assess their predictive ability.
Asymmetric Difluoroboron Quinazolinone‐Pyridine Dyes with Large Stokes Shift: High Emission Efficiencies Both in Solution and in the Solid State
Authors: Zhou Jia , Liu Lu , Pan Ying , Zhu Qiaoyu , Lu Yajie , Wei Jiacheng , Luo Kang , Fu Yang , Zhong Cheng , Peng Yiyuan , Song Zhibin
Published: November 2018

Boron difluoroquinazolinone‐pyridine (BODIQPy) and substituted derivatives have been designed and synthesized. Strong emission with high fluorescence quantum yield both in solution (up to 0.99) and in solid state (up to 0.60) was achieved in these asymmetric BODIQPys. For 6‐halogen substituted BODIQPys, the heavy atomic effect of bromine and iodine was suppressed in solution due to the strong electron‐withdrawing ability of the BODIQPy core. As a result, 6‐iodine substituted BODIQPy shows the unusual fluorescence quantum yields (>0.70) in dichloromethane and tetrahydrofuran. In the solid state, the asymmetric structure induced a unique dimeric structure, and efficient luminescence was also observed. The formation of halogen bonds between carbonyl oxygen and bromine or iodine regulated the stacking mode and enhanced intermolecular interaction, resulting in a decline in the fluorescence quantum yield. In addition, a large Stokes shift was also achieved in these asymmetric BODIQPys.
Porous Core–Shell CuCo2S4 Nanospheres as Anode Material for Enhanced Lithium‐Ion Batteries
Authors: Zheng Tian , Li Guangda , Meng Xiangeng , Li Siyi , Ren Manman
Published: November 2018

Porous core–shell CuCo2S4 nanospheres that exhibit a large specific surface area, sufficient inner space, and a nanoporous shell were synthesized through a facile solvothermal method. The diameter of the core–shell CuCo2S4 nanospheres is approximately 800 nm„ the radius of the core is about 265 nm and the thickness of the shell are approximately 45 nm, respectively. On the basis of the experimental results, the formation mechanism of the core–shell structure is also discussed. These CuCo2S4 nanospheres show excellent Li storage performance when used as anode material for lithium‐ion batteries. This material delivers high reversible capacity of 773.7 mA h g−1 after 1000 cycles at a current density of 1 A g−1 and displays a stable capacity of 358.4 mA h g−1 after 1000 cycles even at a higher current density of 10 A g−1. The excellent Li storage performance, in terms of high reversible capacity, cycling performance, and rate capability, can be attributed to the synergistic effects of both the core and shell during Li+ ion insertion/extraction processes.
Quantum mechanics in chemistry class: the linear and the cyclic particle in a box model applied to dyes and aromats
Authors: Kraska Thomas
Published: November 2018

Aus der heutigen Realität der Chemie ist die Quantenmechanik nicht mehr wegzudenken. Quantenmechanische Programmpakete ermöglichen Berechnungen in vielen Bereichen der Chemie sowie in den Material‐ und Ingenieurwissenschaften. Zweifellos ist die Quantenmechanik Teil der universitären Ausbildung, nichtsdestotrotz ist es möglich, ihre Grundzüge im Chemieunterricht der Sekundarstufe II zu behandeln. Dabei können die Prinzipien anhand von Systemen veranschaulicht werden, die bereits Teil der Curricula im Fach Chemie sind. Das hier besprochene, allgemein bekannte lineare Kastenmodell wird mit anderem Fokus, aber in ähnlicher, Tiefe standardmäßig im Physikunterricht der Sekundarstufe II behandelt. Es überfordert Schülerinnen und Schüler also grundsätzlich nicht. Dieses Modell erlaubt es die Prinzipien der Quantenmechanik einfach darzustellen und ist näherungsweise anwendbar auf lineare und zyklische konjugierte π‐Systeme. Die Näherung beinhaltet, dass im Kasten die potenzielle Energie null ist, während die potenzielle Energie der Atome tatsächlich durch ein periodisches Coulomb‐Potenzial gegeben ist. Die hier benutzte Näherung bezieht sich also auf die Anwendung der exakten quantenmechanischen Lösung für das einfache Kastenmodell auf kompliziertere Moleküle. Unterschiede in der Elektronenverteilung, die sich zwischen dem Kastenmodell und dem periodischen Coulomb‐Potenzial ergeben, werden diskutiert.
Phrenic motoneuron structural plasticity across models of diaphragm muscle paralysis
Authors: Mantilla Carlos B. , Zhan Wen‐Zhi , Gransee Heather M. , Prakash Y. S. , Sieck Gary C.
Published: November 2018

Structural plasticity in motoneurons may be influenced by activation history and motoneuron–muscle fiber interactions. The goal of this study was to examine the morphological adaptations of phrenic motoneurons following imposed motoneuron inactivity while controlling for diaphragm muscle inactivity. Well‐characterized rat models were used including unilateral C2 spinal hemisection (SH; ipsilateral phrenic motoneurons and diaphragm muscle are inactive) and tetrodotoxin phrenic nerve blockade (TTX; ipsilateral diaphragm muscle is paralyzed while phrenic motoneuron activity is preserved). We hypothesized that inactivity of phrenic motoneurons would result in a decrease in motoneuron size, consistent with a homeostatic increase in excitability. Phrenic motoneurons were retrogradely labeled by ipsilateral diaphragm muscle injection of fluorescent dextrans or cholera toxin subunit B. Following 2 weeks of diaphragm muscle paralysis, morphological parameters of labeled ipsilateral phrenic motoneurons were assessed quantitatively using fluorescence confocal microscopy. Compared to controls, phrenic motoneuron somal volumes and surface areas decreased with SH, but increased with TTX. Total phrenic motoneuron surface area was unchanged by SH, but increased with TTX. Dendritic surface area was estimated from primary dendrite diameter using a power equation obtained from three‐dimensional reconstructed phrenic motoneurons. Estimated dendritic surface area was not significantly different between control and SH, but increased with TTX. Similarly, TTX significantly increased total phrenic motoneuron surface area. These results suggest that ipsilateral phrenic motoneuron morphological adaptations are consistent with a normalization of motoneuron excitability following prolonged alterations in motoneuron activity. Phrenic motoneuron structural plasticity is likely more dependent on motoneuron activity (or descending input) than muscle fiber activity.
Decorative patterns and sets of colors inspired by folk and applied arts of upper silesia, a popularization of visual cultural heritage of the region
Authors: Kmita Anna
Published: November 2018

The Project of Decorative Patterns and Sets of Colors inspired by Applied Art of Upper Silesia is a design created within the framework of scholarship from Fund for the Promotion of Creativity of the Ministry of Culture and National Heritage in Poland. The main objective of this project was digital documentation of chosen national heritage with regard to ornamentation and coloring, design of patterns and sets of colors, obtaining graphic materials of high visual quality, possible to be applied with contemporary media. The key results of the project are the database of graphic elements, book of patterns and colors including set of patterns inspired by cataloged decorative elements and set of colors inspired by typical combinations of colors used in applied art of Upper Silesia. Sampling color, we were able to use tools such as natural color system (NCS) Tester and NCS Color Scan as well as Pantone testers. Graphic themes on porcelain were made with different techniques, and while digitization of the patterns, preservation of colors and their uniqueness was our priority. Each designed pattern was presented as: original pattern, strip pattern, pattern described on a wheel or oval, and report/square field containing repetitive elements for free multiplication. Created elements (described in NCS, Pantone, CMYK, RGB) can be used as elements in many identification projects and be element of visual culture of the region.
An Open‐Label, Single‐Dose, Human Mass Balance Study of Amenamevir in Healthy Male Adults
Authors: Kato Kota , den Adel Martin , Groenendaal‐van de Meent Dorien , Ohtsu Yoshiaki , Takada Akitsugu , Katashima Masataka
Published: November 2018

Amenamevir is an inhibitor of the helicase‐primase enzyme complex developed for the treatment of varicella zoster virus. This mass balance study investigated the absorption, metabolism, and excretion of a single dose (200 mg) of 14C‐labeled amenamevir in healthy male volunteers. Blood, urine, and feces samples were collected for up to 8 days after the dose. Safety and tolerability were assessed through voluntary reporting of adverse events, physical examination, and clinical laboratory testing. Amenamevir was rapidly absorbed, with a median time to peak drug concentration of 1.0 to 1.5 hours and a plasma half‐life of 8 to 9 hours. Overall, 95.3% of the administered dose was recovered, with the majority of radiolabeled drug excreted in feces (74.6%) followed by urine (20.6%). The major route of elimination was fecal, with around 70% of the dose excreted as metabolites and <0.1% as the unchanged drug. Metabolic profiling revealed that predominantly radiolabeled amenamevir (80%) and its hydroxyl metabolite R5 (up to 7.1%) were present in plasma. Single‐dose amenamevir was well tolerated; 3 transient and mild adverse events were reported in 3 subjects. Overall, >95% of a single 200‐mg dose of amenamevir was eliminated by 168 hours after the dose, with the major route of elimination being fecal.
Best practices for management and operation of large HPC installations
Authors: Lathrop Scott , Mendes Celso , Enos Jeremy , Bode Brett , Bauer Gregory , Sisneros Roberto , Kramer William
Published: November 2018

To achieve their mission and goals, HPC centers continually strive to improve the effectiveness of their resources and services to best serve their constituencies. Collectively, the community has learned a great deal about how to manage and operate HPC centers, provide robust and effective services, and develop new communities as well as about other important aspects. Yet, cataloguing best practices to help inform and guide the broader HPC community is not often done. To improve the situation, the Blue Waters project has documented sets of best practices that have been adopted for the deployment and operation over the past five years of the Blue Waters leadership system, a large Cray XE6/XK7 supercomputer at NCSA. Those practices, described in this paper, cover aspects of managing and operating the system and its resources, supporting its users, and expanding the diversity of applications and communities. Although the technical practices are sometimes discussed relative to Cray systems and leadership‐scale systems, we believe that they would benefit the deployment and operation of other large HPC installations as well.
Pansharpening multispectral remote‐sensing images with guided filter for monitoring impact of human behavior on environment
Authors: Li Qilei , Yang Xiaomin , Wu Wei , Liu Kai , Jeon Gwanggil
Published: November 2018

Human behavior would lead to a significant impact on the environment. By monitoring the environment, we can indirectly monitor human behavior. Remote sensing (RS) technology provides a large number of multispectral (MS) images. When combining the Internet of things (IoT) technology, those images can be used for human behavioral monitoring. However, due to the limitation of the optical sensors embedded in satellites, the spatial resolution of MS image is relatively low, which poses a huge problem for further understanding these images. Pansharpening, also known as multisensor image fusion, aims to sharp an MS image to a high‐resolution multisensor image (HMS) by integrating a corresponding high‐resolution panchromatic (PAN) image. By doing so, the redundancy among big data can be effectively reduced. Traditional Intensity‐Hue‐Saturation (IHS)–based methods often suffer from spectral distortion. To address this problem, a novel pansharpening method is proposed in this paper. Different from those traditional IHS methods, the proposed method first decomposes MS and PAN into high‐frequency‐component (HFC) and low‐frequency‐component (LFC), respectively. Then, the guided filter (GF) is utilized to enhance the spectral information on the detail map. Furthermore, the detail map is refined according to the adaptive coefficients for each band of MS. By performing experiments, we demonstrate the proposed method can obtain satisfying results in both visual quality and object assessment among existing methods.
Growth of E. coli in Liquid Medium
Authors: Elbing Karen L. , Brent Roger
Published: November 2018

We describe the procedure for inoculating overnight (starter) cultures of E. coli from a single colony, along with considerations for growing larger cultures. We also include two methods for monitoring the number of cells per unit volume (density) of liquid cultures using a spectrophotometer and a hemacytometer or “count slide.” © 2018 by John Wiley & Sons, Inc.
Battling the HIV/AIDS Epidemic: Triumphs and Barriers
Authors: McColl Eliza R. , Kojovic Dea , Piquette‐Miller Micheline
Published: November 2018

Worldwide, over 77 million people have been infected by human immunodeficiency virus (HIV) but its cure remains elusive. Once considered a fatal disease, advances in antiretroviral therapy (ART) have dramatically increased the life expectancy of infected persons. Much progress has been made in the development and utilization of combination ART and preventative pre‐exposure prophylaxis products, however, numerous obstacles prevent eradication. Clinical pharmacologists along with world health organizations continue to play a key role in identifying and implementing strategies to combat this disease.
Modern Human Immunodeficiency Virus Therapy: Progress and Prospects
Authors: Flexner Charles
Published: November 2018

Safe and effective lifelong treatment to control human immunodeficiency virus (HIV) infection is one of the greatest scientific and public health achievements of the past century. The majority of infected individuals able to maintain a daily oral regimen now have a normal or near‐normal life expectancy. More than 30 approved drugs and dozens of formulations have produced thousands of possible drug combinations used clinically in the past, but today most patients receive only a handful of high priority and rigorously tested regimens. Unique features of antiretroviral therapy include the need for lifelong treatment to control virus replication and the possibility of rapid emergence of permanent drug resistance if these agents are not properly used. Although three‐drug combination oral regimens have radically altered the course of this epidemic, the future will include long‐acting injectable and implantable drugs and devices to treat and prevent infection.
High Selectivity Towards Formate Production by Electrochemical Reduction of Carbon Dioxide at Copper–Bismuth Dendrites
Authors: Hoffman Zachary B. , Gray Tristan S. , Xu Yin , Lin Qiyuan , Gunnoe T. Brent , Zangari Giovanni
Published: November 2018

The electrochemical reduction of CO2 provides an alternative carbon‐neutral path for renewable synthesis of fuels and value‐added chemicals. This work demonstrates that dendritic, bimetallic Cu–Bi electrocatalysts with nanometer‐sized grains are capable of formate generation with a high selectivity. Optimizing composition of electrocatalyst could achieve a faradic efficiency of 90 % at −0.8 to −0.9 VRHE, and a partial current of more than 2 mA cm−2. The combination of Cu with Bi enables modulation of the adsorption strength of intermediates. This leads to an increased selectivity and suppressed formation of spurious species, especially hydrogen and CO. Comparison of product distribution for Cu–In versus Cu–Bi indicated that Bi is essential to induce a favorable adsorption configuration of the intermediate species and to promote formate production.
Analytical considerations for (un)‐targeted metabolomic studies with special focus on forensic applications
Authors: Boxler Martina I. , Schneider Tom D. , Kraemer Thomas , Steuer Andrea E.
Published: November 2018

Over the past few years, the interest in metabolomics has increased in various fields including forensic toxicology. Forensic analysis typically requires a high degree of accuracy, which is often a problem in metabolomics applications. We aimed for a systematic evaluation of different analytical considerations of a metabolomics workflow allowing a targeted approach within an untargeted setup. Samples with 69 metabolites from different chemical classes were qualitatively and quantitatively analyzed on a high resolution quadrupole time of flight mass spectrometer coupled to liquid chromatography (UHPLC–QTOF). Three issues were addressed: (a) Two different approaches on “blind matrix” a simulated body fluid (SBF) and plasma‐filtrate, were tested for calibration samples; (b) comparison of two different HPLC columns, reverse‐phase (RP) and hydrophilic interaction chromatography (HILIC); and (c) comparison of three different acquisition modes (TOF–MS, information dependent data acquisition (IDA), and sequential window acquisition of all theoretical fragment‐ion spectra (SWATH). Samples were measured repeatedly for method comparison based on sensitivity, accuracy, precision, and detection robustness. The blind matrices showed similar accuracy for most analytes, while SBF provided an easier preparation with satisfying results. To cover a wide part of the human metabolome, a combination of RP and HILIC showed the best results. The different scan modes performed equally regarding metabolite quantification while TOF–MS was more sensitive but lacked MS/MS spectra generation. IDA and SWATH files were aligned to various databases where IDA showed good MS/MS spectra matches. SWATH seemed to be beneficial in detection rate but was incompatible with many important software tools in metabolomics.
Past the climate optimum: Recruitment is declining at the world's highest juniper shrublines on the Tibetan Plateau
Authors: Lu Xiaoming , Liang Eryuan , Wang Yafeng , Babst Flurin , Leavitt Steven W. , Julio Camarero J.
Published: November 2018

Alpine biomes are climate change hotspots, and treeline dynamics in particular have received much attention as visible evidence of climate‐induced shifts in species distributions. Comparatively little is known, however, about the effects of climate change on alpine shrubline dynamics. Here, we reconstruct decadally resolved shrub recruitment history (age structure) through the combination of field surveys and dendroecology methods at the world's highest juniper (Juniperus pingii var. wilsonii) shrublines on the south‐central Tibetan Plateau. A total of 1,899 shrubs were surveyed at 12 plots located in four regions along an east‐to‐west declining precipitation gradient. We detected synchronous recruitment with 9 out of 12 plots showing a gradual increase from 1600 to 1900, a peak at 1900–1940, and a subsequent decrease from the 1930s onward. Shrub recruitment was significantly and positively correlated with reconstructed summer temperature from 1600 to 1940, whereas it was negatively associated with temperature in recent decades (1930–2000). Recruitment was also positively correlated with precipitation, except in the 1780–1830 period, when a trend toward wetter climate conditions began. Warming‐induced drought limitation has likely reduced the recruitment potential of alpine juniper shrubs in recent decades. Ongoing warming without a simultaneous increase in precipitation is expected to further impair recruitment at the world's highest juniper shrublines and alter the dynamics and competitive balance between woody plant species throughout these alpine biomes.
Innovative imaging methods in heart failure: a shifting paradigm in cardiac assessment. Position statement on behalf of the Heart Failure Association of the European Society of Cardiology
Authors: Čelutkienė Jelena , Plymen Carla M. , Flachskampf Frank A. , de Boer Rudolf A. , Grapsa Julia , Manka Robert , Anderson Lisa , Garbi Madalina , Barberis Vassilis , Filardi Pasquale Perrone , Gargiulo Paola , Zamorano Jose Luis , Lainscak Mitja , Seferovic Petar , Ruschitzka Frank , Rosano Giuseppe M.C. , Nihoyannopoulos Petros
Published: November 2018

Myriad advances in all fields of cardiac imaging have stimulated and reflected new understanding of cardiac performance, myocardial damage and the mechanisms of heart failure. In this paper, the Heart Failure Association assesses the potential usefulness of innovative imaging modalities in enabling more precise diagnostic and prognostic evaluation, as well as in guiding treatment strategies. Many new methods have gradually penetrated clinical practice and are on their way to becoming a part of routine evaluation. This paper focuses on myocardial deformation and three‐dimensional ultrasound imaging; stress tests for the evaluation of contractile and filling function; the progress of magnetic resonance techniques; molecular imaging and other sound innovations.

The Heart Failure Association aims to highlight the ways in which paradigms have shifted in several areas of cardiac assessment. These include reassessing of the simplified concept of ejection fraction and implementation of the new parameters of cardiac performance applicable to all heart failure phenotypes; switching from two‐dimensional to more accurate and reproducible three‐dimensional ultrasound volumetric evaluation; greater tissue characterization via recently developed magnetic resonance modalities; moving from assessing cardiac function and congestion at rest to assessing it during stress; from invasive to novel non‐invasive hybrid techniques depicting coronary anatomy and myocardial perfusion; as well as from morphometry to the imaging of pathophysiologic processes such as inflammation and apoptosis. This position paper examines the specific benefits of imaging innovations for practitioners dealing with heart failure aetiology, risk stratification and monitoring, and, in addition, for scientists involved in the development of future research.