bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photoelectron Spectroscopy
Authors: Breuer Stephan , Wandelt Klaus 
Published: August 2017

Abstract

This chapter gives a basic introduction to photoelectron spectroscopy, including Auger electron spectroscopy and its applications to problems in solid‐state chemistry. The experimental setup is illustrated and typical chemistry‐related spectral features are presented before a more detailed discussion of the photoexcitation and electron emission process is given. A number of examples are then provided to demonstrate the power of photoemission and Auger electron spectroscopy, namely, for the qualitative and quantitative analyses of chemical compositions, the determination of oxidation states and bond ionicities, the measurement of valence electron states and bands, the investigation of the atomic structure at solid surfaces, and so on. A limitation of these electron‐based spectroscopies is their information depth being limited to surface‐near regions, but solutions to this problem are presented. Finally, the reader is made aware of possible misinterpretations of the measured spectra. The list of references deliberately refers to the early literature that actually laid the basis for this nowadays most powerful analytical techniques.
Vibrational Spectroscopy
Authors: Eckold Götz , Schober Helmut 
Published: August 2017

Abstract

This chapter concentrates on the study of structural excitations in fully relaxed crystalline materials where the atoms vibrate about well‐defined equilibrium positions. It illustrates the power of neutron spectroscopy using selected examples of crystalline materials. The chapter briefly introduces the concept of phonons in the harmonic approximation. It also shows how neutron powder spectroscopy can contribute important information on the dynamics of molecular crystals. The chapter covers a broad range of applications of vibrational spectroscopy using different techniques with special emphasis on neutron scattering. There are a variety of different experimental techniques that are frequently used for optical spectroscopy or inelastic neutron and X‐ray scattering. In most cases it is the competition between high intensity and high resolution that determines the most appropriate method. Infrared (IR) spectroscopy is a technique that is frequently used in chemistry since it allows the assignment of individual modes as fingerprints of specific bonds within molecular or functional groups.
Dielectric Properties
Authors: Waser Rainer , Hoffmann‐Eifert Susanne 
Published: August 2017

Abstract

In this chapter, we deal with the basic theory of linear dielectric response in solids, since the linear dielectric permittivity and losses are basic parameters that control the performance of many electronic devices. After a short introduction to some prominent applications, basic definitions are given and the behavior of a dielectric slab in an electric field is described. Then the various mechanisms causing polarization in solids are discussed from the macroscopic and the microscopic viewpoints, noting the concept of the local electric field. Polarization mechanisms are distinguished by their characteristic temperature and frequency dependencies leading to relaxation and resonance phenomena. Describing the interaction of phonons with the electric field finally gets us to the concept of polarization waves in ionic crystals.
Sol–Gel Processing of Porous Materials
Authors: Nakanishi Kazuki , Kanamori Kazuyoshi , Tokudome Yasuaki , Hasegawa George , Zhu Yang 
Published: August 2017

AbstractThe sol–gel processing of hierarchically porous materials has been reviewed. Especially, a focus was put on monolithic porous gels that can be prepared via sol–gel reaction accompanied by polymerization‐induced phase separation. After continuous development over 20 years, the formation of well‐defined macropores in sol–gel systems in a broad range of chemical compositions has been explored, and the versatility of the method was clearly demonstrated. Most metal oxide gels retain their inherent porosity within the gel framework comprising the continuously macroporous monoliths, so that additional aging treatments under basic and/or hydrothermal conditions worked efficiently to tailor the mesopores essentially independent of the preformed macroframeworks. Although this chapter focuses on demonstrating the formation of hierarchically porous structures, also included are some related topics such as low‐density aerogel‐like materials with unimodal well‐defined porosity. Introduced applications were limited to those proven to work and/or commercialized in separation sciences and biopurification. Further details on basic concepts are best found in one of the reviews. On the materials prepared from ionic precursors (metal salts) in aqueous media, mechanically stable aerogel‐like transparent low‐density hybrid materials, and those convertible to non‐oxide ceramics and carbons, there remain a lot to be explored in the near future from both basic and application viewpoints.
Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches
Authors: Catlow C. Richard A. , Buckeridge John , Farrow Matthew R. , Logsdail Andrew J. , Sokol Alexey A. 
Published: August 2017

AbstractComputational modeling techniques are now standard tools in solid‐state science. They are used routinely to model and predict structures, to investigate defect, transport, and spectroscopic properties of solids, to simulate sorption and diffusion, to develop models for nucleation and growth of solids, and increasingly to model and predict reaction mechanisms. They are applied to bulk solids, surfaces, and nanostructures, and successful applications are reported for all major classes of solid: metals, semiconductors, inorganic and ceramic materials, and molecular crystals. Modeling methods are now indeed tools that are used to guide, interpret, and predict experiment.
Modeling Crystal Nucleation and Growth and Polymorphic Transitions
Authors: Zahn Dirk 
Published: August 2017

AbstractTremendous efforts in crystal syntheses, experimental characterization, and theoretical approaches have led to an increasing understanding of how crystals form and continuously pave the way to novel materials. Here, we review molecular simulation techniques and recent experimental studies that considerably expanded the mechanistic picture of precursor formation, primary and secondary nucleation, and solid‐state polymorphism. This is encompassed within a theoretical mainframe by expanding classical nucleation theory also to so‐called nonclassical nucleation processes.
Electronics and Bioelectronic Interfaces
Authors: Kim Seong‐Min , Park Sungjun , Lee Won‐June , Yoon Myung‐Han 
Published: August 2017

Abstract

Solution‐processed electronic materials have gained tremendous momentum in the application of electronics, photovoltaics, and catalysts for being vacuum‐free with rapid deposition on targeted substrates at an atmospheric pressure, large area with selective deposition via various printing techniques in addition to high electrical performances. However, despite their growing impact, the application in bioelectronics has been deterred for the development of future human‐friendly or implantable electronics. This is attributed to lack of underlying studies on their material properties and interfaces under the aqueous environments, which is a prerequisite condition to be tested before physiological application. In this chapter, we discuss two different types of emerging inorganic and organic electronic materials for potential application of bioelectronics, especially on sol–gel metal oxide semiconductors (
MOx
) and solution‐processed conducting polymers (
CP
), respectively.
Magnetically Responsive Photonic Nanostructures for Display Applications
Authors: Wang Mingsheng , Yin Yadong 
Published: August 2017

Abstract
In this chapter, we introduce magnetically responsive photonic nanostructures for various types of display applications. By controlling the strength and direction of external magnetic fields, one can achieve reversible optical modulation. The variations in field strength could induce dramatic changes in local particle concentration and particle interaction, therefore, enabling effective tuning of the collective optical property of particle assemblies and modulation of light intensity at the desired wavelengths. The field direction determines the orientation of the magnetic particles and their assemblies, which usually allows effective tuning of their scattering cross sections and the transmission or reflection intensity.
Heterogeneous Asymmetric Catalysis
Authors: Mastalir Ágnes , Bartók Mihály 
Published: August 2017

AbstractThis chapter summarizes the results on asymmetric reactions induced by supported or immobilized chiral organocatalysts, collected in reviews before 2008 and also in more recent papers published between 2009 and 2015. The most extensively studied asymmetric reactions are as follows: aldol addition, Michael reaction, Diels‐Alder reaction, diethylzinc addition, epoxidation, and hydrogenation. The most important support materials used for the fabrication of immobilized chiral organocatalysts are natural or synthetic polymers, amorphous and ordered silica, cross‐linked polymers, clays, inorganic materials, nanoparticles (NPs) and metal‐organic frameworks (MOFs) with various structural features. The asymmetric aldol reaction is one of the most efficient synthetic methods for obtaining optically active β‐hydroxy carbonyl compounds, which may be applied in organic syntheses. The enantioselective Michael addition is one of the most frequently studied reactions in asymmetric organocatalysis, which is suitable for the construction of optically active compounds that are useful intermediates for a number of natural and synthetic products.
Functional Materials for Gas Storage. PartII: Hydrogen and Methane
Authors: Reguera L. , Reguera E. 
Published: August 2017

SummaryThe second part of this overview on functional materials for gases storage discusses hydrogen and methane storage in porous solids and clathrates. For hydrogen, the dissociative storage as hydrides and spillover is also considered. Methane is the most attractive energy vector in a context of energetic transition, from an extensive use of oil and its derivatives as fuel to an economy based on hydrogen as energy bearer. During the last decades, tens of thousands of porous solids have been prepared and evaluated as absorbents, including inorganic, metal‐organic, and organic solids, mainly for molecular hydrogen storage; many of them also considered for methane storage. To rationalize that huge volume of information, the available data are critically reviewed according to the nature of the guest–host interactions that determine the adsorption forces and the related adsorption heats. Clathrates of hydrogen and methane represent a promise route of reversible storage, particularly those clathrates where the cages are formed by water molecules (hydrates). The largest global reserves of methane are found as hydrates below the oceans floors.
Improved prognosis of young patients with breast cancer undergoing breast-conserving surgery
Authors: Botteri E , Veronesi P , Vila J , Rotmensz N , Galimberti V , Thomazini M V , Viale G , Orecchia R , Goldhirsch A , Gentilini O 
Published: August 2017

Abstract

Background
The aim of the present study was to evaluate how breast cancer prognosis has evolved over time in young women treated with breast-conserving surgery (BCS).

Methods
Data from patients younger than 40 years who had BCS and whole-breast radiotherapy in a single cancer centre between 1997 and 2010 were analysed. The patients were followed until 2016. Endpoints were local recurrence, any breast cancer-related event and death from any cause.

Results
A total of 1331 patients were included in the study. After a median follow-up of 9·3 years, 114 local recurrences, 289 breast cancer-related events and 138 deaths had occurred. Women were divided into three groups of similar size based on tertiles of the date of diagnosis: 1997–2002 (524 patients), 2003–2005 (350) and 2006–2010 (457). The risk of local recurrence was 1·42 per 100 person-years in women diagnosed in the first interval, 0·85 per 100 person-years in the second and 0·48 per 100 person-years in the third (P for trend = 0·028). The respective values were 3·01, 2·52 and 2·07 per 100 person-years for any breast cancer-related event (P = 0·004), and 1·59, 1·22 and 0·64 per 100 person-years for death (P = 0·003). Each passing year was associated with a decreasing risk of local recurrence (hazard ratio (HR) 0·93, 95 per cent c.i. 0·87 to 1·00), any breast cancer-related event (HR 0·94, 0·91 to 0·98) and death (HR 0·89, 0·83 to 0·94). A major improvement in prognosis was observed after 2005, when the classification of breast cancer molecular subtypes and use of trastuzumab were implemented in routine clinical practice.

Conclusion
In the past two decades, both local control and overall prognosis have improved significantly in young women (aged less than 40 years) with breast cancer who undergo BCS.
ORBITAL PERTURBATION DIFFERENTIAL EQUATIONS WITH NON‐LINEAR CORRECTIONS FOR CHAMP‐LIKE SATELLITE
Authors: Jin‐Hai YU , Yong‐Chao ZHU , Xiang‐Chao MENG 
Published: August 2017

AbstractDirectly from the second order differential equations of satellite motion, the linearized orbital perturbation differential equations for CHAMP‐like satellites are derived after introducing the reference orbit, and then introducing the omitted terms into the linearized orbital perturbation differential equations, the orbital perturbation differential equations with nonlinear corrections are derived. The accuracies for the orbital perturbation differential equations are estimated and the following results are obtained: if the measurement errors of the satellite positions and the non‐gravitational accelerations are less than 3 cm and 3 × 10−10 m·s−2 respectively, the linearized orbital perturbation differential equations and the equations with nonlinear corrections can hold the accuracies 3 × 10−10 m·s−2 only when ρ ≤ 4.7 m and ρ ≤ 4.14 × 103 m respectively, where ρ is the distance between the satellite orbit and the reference one. Hence, compared with the linearized orbital perturbation differential equations, the equations with nonlinear corrections are suitable to establish normal system of equations of the gravity field's spherical harmonic coefficients in long time span. The solving method for the orbital perturbation differential equations is also given with the help of the superposition principle in the paper. At last, some imitation examples for CHAMP and GRACE missions are computed, and the results illustrate that the orbital perturbation differential equations with nonlinear corrections have higher accuracies than the linearized ones.
Effects of Pre‐operative Psychological Status on Post‐operative Recovery: A Prospective Study
Authors: Aspari Ajay Raghunath , Lakshman K. 
Published: August 2017

AbstractBackgroundOften in clinical practice, a spectrum of outcomes from surgery may be observed ranging from a quick and comfortable recovery to a recovery punctuated by persistent pain and decreased quality of life. While there has been a fast pace of advances made in the field of operative surgery, surgeons seldom pay attention to factors such as the psychological profile of a patient that can affect recovery from surgery.ObjectiveTo study the effects of pre‐operative psychological profile on post‐operative recovery in terms of pain, return to work and quality of life.Materials and methodsConsecutive patients undergoing laparoscopic surgeries at Sagar Hospitals, Jayanagar, were recruited. All patients were assessed for psychological status using the screening for illness behaviour questionnaire (SIBQ) and pain catastrophizing scale (PCS). Following surgery, they were followed up for a period of 3 months—on post‐operative day 1, post‐operative day 7, 1 month and 3 months from the date of surgery. Post‐operative pain was measured using the visual analogue scale (Wong–Baker’s), return to work was documented in days and quality of life was measured using the Short Form‐36 version 2 (SF‐36v2) Health Survey. The Pearson’s correlation coefficients were used to compare variables with continuous data and Chi‐square and Fisher’s tests were used to test categorical data for significance.ResultsIn a total of 98 patients recruited, 50 patients had a complete follow‐up of 3 months. Significant correlations existed between the pre‐operative markers and markers of recovery. The Chi‐square test and Fisher’s exact tests showed significant differences in the scores of pre‐operative markers between the groups of patients who developed chronic pain and those who did not. Difference in scores with regard to quality of life was also noted.ConclusionPsychological status does play a role in post‐operative recovery. This result opens up scope for counselling patients towards a healthy and comfortable recovery from surgery.
Structure and physical properties of natural sphalerites and galena from the Dal’negorsk deposit in the temperature range 4–300 K
Authors: Gulyaeva R.I. , Selivanov E.N. , Dorogina G.A. , Uporov S.A. , Pryanichnikov S.V. 
Published: August 2017

Abstract
The structure and physical properties of natural sphalerites and galena from the Dal’negorsk ore massif were investigated. A nonlinear temperature dependence of the unit-cell parameters of sphalerite in the range 80–300 K was established by X-ray diffraction. The microstructure and elemental composition of sphalerites with different iron contents were studied. The results show that an increase in iron content in sphalerite solid solution leads to an increase in the unit-cell parameters. It is found that sphalerites are insulators in the temperature range from 4 to 300 K, as their absolute electrical resistivity is greater than 1 MOhm⋅m. The temperature dependence of sphalerite magnetization has a peak corresponding to the mineral transition from antiferromagnetic to ferrimagnetic state with a Neel temperature of about 90 K in fields of 0, 0.15, and 1.00 T. The magnetic state of natural galena is due to a sphalerite impurity: The extrema in the temperature magnetization curve are typical of sphalerite.
Self-Blotting Nanowire Grids for Cryo-EM Sample Preparation
Authors: Wei Hui , Dandey Venkat , Zhang Zhening , Raczkowski Ashleigh , Carragher Bridget , Potter Clinton S. 
Published: August 2017

AbstractAlmost every aspect of cryo electron microscopy (CryoEM) has been automated over the last few decades. One of the challenges that remains to be addressed is the robust and reliable preparation of vitrified specimens of suitable ice thickness. The development of a new self-blotting nanowire (Zhang et al., 2013) grid in conjunction with a piezo electric dispensing robot called Spotiton (Jain et al., 2012) enables spreading a sample to a thin film without the use of externally applied filter paper. This new approach has the advantage of using small amounts of protein material, resulting in large areas of ice of a well- defined thickness containing evenly distributed particles (Razinkov et al., 2016).
G9a regulates breast cancer growth by modulating iron homeostasis through the repression of ferroxidase hephaestin
Authors: Wang Ya-fang , Zhang Jie , Su Yi , Shen Yan-yan , Jiang Dong-xian , Hou Ying-yong , Geng Mei-yu , Ding Jian , Chen Yi 
Published: August 2017

AbstractG9a, a H3K9 methyltransferase, shows elevated expression in many types of human cancers, particularly breast cancer. However, the tumorigenic mechanism of G9a is still far from clear. Here we report that G9a exerts its oncogenic function in breast cancer by repressing hephaestin and destruction cellular iron homeostasis. In the case of pharmacological inhibition or short hairpin RNA interference-mediated suppression of G9a, the expression and activity of hephaestin increases, leading to the observed decrease of intracellular labile iron content and the disturbance of breast cancer cell growth in vitro and in vivo. We also provide evidence that G9a interacts with HDAC1 and YY1 to form a multi-molecular complex that contributes to hephaestin silencing. Furthermore, high G9a expression and low hephaestin expression correlate with poor survival of breast cancer are investigated. All these suggest a G9a-dependent epigenetic program in the control of iron homeostasis and tumor growth in breast cancer.
High temperature stress during flowering and grain filling offsets beneficial impact of elevated CO2 on assimilate partitioning and sink-strength in rice
Authors: Chaturvedi Ashish K. , Bahuguna Rajeev N. , Shah Divya , Pal Madan , Jagadish S. V. Krishna 
Published: August 2017

AbstractElevated [CO2] (e[CO2]) environments have been predicted to improve rice yields under future climate. However, a concomitant rise in temperature could negate e[CO2] impact on plants, presenting a serious challenge for crop improvement. High temperature (HT) stress tolerant NL-44 and high yielding basmati Pusa 1121 rice cultivars, were exposed to e[CO2] (from panicle initiation to maturity) and a combination of e[CO2] + HT (from heading to maturity) using field based open top chambers. Elevated [CO2] significantly increased photosynthesis, seed-set, panicle weight and grain weight across both cultivars, more prominently with Pusa 1121. Conversely, e[CO2] + HT during flowering and early grain filling significantly reduced seed-set and 1000 grain weight, respectively. Averaged across both the cultivars, grain yield was reduced by 18 to 29%. Despite highly positive response with e[CO2], Pusa 1121 exposure to e[CO2] + HT led to significant reduction in seed-set and sink starch metabolism enzymatic activity. Interestingly, NL-44 maintained higher seed-set and resilience with starch metabolism enzymes under e[CO2] + HT exposure. Developing rice cultivars with higher [CO2] responsiveness incorporated with increased tolerance to high temperatures during flowering and grain filling using donors such as NL-44, will minimize the negative impact of heat stress and increase global food productivity, benefiting from [CO2] rich environments.
Identification of a Gene Encoding Slow Skeletal Muscle Troponin T as a Novel Marker for Immortalization of Retinal Pigment Epithelial Cells
Authors: Kuroda Takuya , Yasuda Satoshi , Nakashima Hiroyuki , Takada Nozomi , Matsuyama Satoko , Kusakawa Shinji , Umezawa Akihiro , Matsuyama Akifumi , Kawamata Shin , Sato Yoji 
Published: August 2017

AbstractHuman pluripotent stem cells (hPSCs) are leading candidate raw materials for cell-based therapeutic products (CTPs). In the development of hPSC-derived CTPs, it is imperative to ensure that they do not form tumors after transplantation for safety reasons. Because cellular immortalization is a landmark of malignant transformation and a common feature of cancer cells, we aimed to develop anin vitroassay for detecting immortalized cells in CTPs. We employed retinal pigment epithelial (RPE) cells as a model of hPSC-derived products and identified a gene encoding slow skeletal muscle troponin T (TNNT1) as a novel marker of immortalized RPE cells by comprehensive microarray analysis.TNNT1mRNA was commonly upregulated in immortalized RPE cells and human induced pluripotent stem cells (hiPSCs), which have self-renewal ability. Additionally, we demonstrated thatTNNT1mRNA expression is higher in several cancer tissues than in normal tissues. Furthermore, stable expression ofTNNT1in ARPE-19 cells affected actin filament organization and enhanced their migration ability. Finally, we established a simple and rapid qRT-PCR assay targetingTNNT1transcripts that detected as low as 3% of ARPE-19 cells contained in normal primary RPE cells. Purified hiPSC-derived RPE cells showedTNNT1expression levels below the detection limit determined with primary RPE cells. Our qRT-PCR method is expected to greatly contribute to process validation and quality control of CTPs.