bluuebunny/crossref_metadata_2025 huggingface dataset:
Quality Of Life Of Patients With Breast And Gynecological Cancer Faced With Anticancer Chemotherapy
Authors: Regino Patrícia Afonso , Elias Thaís Cristina , Silveira Caroline Freitas , Pereira Gilberto De Araújo , Pissetti Cristina Wide , Da Silva Sueli Riul
Published: August 2017

Quality of life of patients with breast and gynecological cancer faced with anticancer chemotherapy

 Backgroud: the evaluation of quality of life in cancer patients is of interest to researchers due to its impact on health policies. The aim of this study was to assess the quality of life of patients with breast and gynecological cancer, undergoing chemotherapy.

 Methods and Findings: this was a quantitative, descriptive and longitudinal study, conducted in the Clinical Hospital of the Triangulo Mineiro Federal University. To assess the quality of life, the Portuguese brief version of the World Health Organization Quality of Life (WHOQOL-BREF) instrument was applied. The paired Student’s t-test was used for the analysis of the means of/ the scores of the domains. The study included 14 women. The lowest means were observed in the physical domain, 51.78±15.89 and 50.25±15.37, respectively before and after treatment. There was also a compromise of the psychological and environment domains, however, the data analyzed did not show statistical significance. The main limitation of this study is the sample size.

 Conclusion: quality of life presents itself as an important factor for the measurement of results in clinical studies.

Keywords: Quality of Life; Breast Neoplasms; Genital Neoplasms, Females; Chemotherapy.
Milk fermented by Lactobacillus species from Brazilian artisanal cheese protect germ-free-mice against Salmonella Typhimurium infection
Authors: Acurcio L.B. , Sandes S.H.C. , Bastos R.W. , Sant’anna F.M. , Pedroso S.H.S.P. , Reis D.C. , Nunes Á.C. , Cassali G.D. , Souza M.R. , Nicoli J.R.
Published: August 2017

Ingestion of milks fermented by Lactobacillus strains showing probiotic properties is an important tool to maintain gastrointestinal health. In this study, Lactobacillus rhamnosus D1 and Lactobacillus plantarum B7, isolated from Brazilian artisanal cheese, were used as starters for the functional fermented milks to assess their probiotic properties in a gnotobiotic animal model. Male germ-free Swiss mice received a single oral dose of milk fermented by each sample, and were challenged with Salmonella Typhimurium five days afterwards. Milk fermented by both Lactobacillus strains maintained counts above 108 cfu/ml during cold storage. Lactobacillus strains colonised the gut of the germ-free-mice, maintaining their antagonistic effect. This colonisation led to a protective effect against Salmonella challenge, as demonstrated by reduced pathogen translocation and histological lesions, when compared to control group, especially for Lactobacillus rhamnosus D1. Additionally, mRNA expression of inflammatory (interferon gamma, interleukin (IL)-6, tumour necrosis factor alpha) and anti-inflammatory (transforming growth factor β1) cytokines was augmented in animals previously colonised and then challenged, when compared to other experimental groups. Lactobacillus plantarum B7 colonisation also promoted higher expression of IL-17, showing a proper maturation of colonised germ-free-mice immune system. IL-5 was stimulated by both strains’ colonisation and not by S. Typhimurium challenge.
Calibration of the DSCOVR EPIC visible and NIR channels using MODIS and EPIC lunar observations
Authors: Geogdzhayev Igor V. , Marshak Alexander
Published: August 2017

Abstract. The unique position of the Deep Space Climate Observatory (DSCOVR) Earth Polychromatic Imaging Camera (EPIC) at the Lagrange 1 point makes an important addition to the data from currently operating low orbit Earth observing instruments. EPIC instrument does not have an onboard calibration facility. One approach to its calibration is to compare EPIC observations to the measurements from polar orbiting radiometers. Moderate Resolution Imaging Spectroradiometer (MODIS) is a natural choice for such comparison due to its well-established calibration record and wide use in remote sensing. We use MODIS Aqua and Terra L1B 1 km reflectances to infer calibration coefficients for four EPIC visible and NIR channels: 443 nm, 551 nm, 680 nm and 780 nm. MODIS and EPIC measurements made between June 2015 and June 2016 are employed for comparison. We first identify favorable MODIS pixels with scattering angle matching temporarily collocated EPIC observations. Each EPIC pixel is then spatially collocated to a subset of the favorable MODIS pixels within 25 km radius. Standard deviation of the selected MODIS pixels as well as of the adjacent EPIC pixels is used to find the most homogeneous scenes. These scenes are then used to determine calibration coefficients using a linear regression between EPIC counts and reflectances in the close MODIS spectral channels. We present thus inferred EPIC calibration coefficients and discuss sources of uncertainties. The Lunar EPIC observations are used to calibrate EPIC O2 absorbing channels (688 nm and 764 nm) assuming that there is a small difference between moon reflectances separated by 10 nm difference in wavelength and the calibration factors of the red (680 nm) and near-IR (780 nm) are known from comparison between EPIC and MODIS.
Intercomparisons of δ13C and δD measurements of atmospheric CH4 for combined use of datasets from different laboratories
Authors: Umezawa Taku , Brenninkmeijer Carl A. M. , Röckmann Thomas , van der Veen Carina , Tyler Stanley C. , Fujita Ryo , Morimoto Shinji , Aoki Shuji , Sowers Todd , Schmitt Jochen , Bock Michael , Beck Jonas , Fischer Hubertus , Michel Sylvia E. , Vaughn Bruce H. , Miller John B. , White James W. C. , Brailsford Gordon , Schaefer Hinrich , Sperlich Peter , Brand Willi A. , Rothe Michael , Blunier Thomas , Lowry David , Fisher Rebecca E. , Nisbet Euan G. , Rice Andrew L. , Bergamaschi Peter , Veidt Cordelia , Levin Ingeborg
Published: August 2017

Abstract. We report results from intercomparison exercises between laboratories that conduct measurements of stable carbon and hydrogen isotope ratios of atmospheric CH4 (δ13C-CH4 and δD-CH4). The offsets between the laboratories are larger than the measurement reproducibility of individual laboratories. To disentangle plausible offsets between worldwide laboratories, we evaluated and critically assessed a large number of intercomparison results documented previously in the literature. The results indicate significant offsets of δ13C-CH4 and δD-CH4 measurements among datasets reported from different laboratories; the data spread over ranges of 0.5 ‰ for δ13C-CH4 and 13 ‰ for δD-CH4. The intercomparison results summarized in this study may be of help when combining isotope datasets from different laboratories in future studies.
An enhanced forest classification scheme for modeling vegetation-climate
interactions based on national forest inventory data
Authors: Majasalmi Titta , Eisner Stephanie , Astrup Rasmus , Fridman Jonas , Bright Ryan M.
Published: August 2017

Abstract. Forest management greatly affects the distribution of tree species and the age class composition of a forest, shaping its overall structure and functioning, and in turn, surface-atmosphere exchanges of mass, energy, and momentum. In order to attribute climate effects to anthropogenic activities like forest management, good accounts of forest structure are necessary. Here, using Fennoscandia as a case study, we make use of regional National Forest Inventory (NFI) data to systematically classify forest cover into groups of similar aboveground forest structure. An enhanced forest classification scheme and related Look-Up-Table (LUT) of key forest structural parameter values was developed, and the classification was applied for NFI maps from Norway, Sweden and Finland. To provide a complete surface representation, our product was integrated with the European Space Agency Climate Change Intiative's Land Cover (ESA CCI LC) map of present land cover (v.1.6.1) (http://maps.elie.ucl.ac.be/CCI/). An enhanced grouping by aboveground structure can improve climate predictions in intensively managed forested regions and is consistent with climate model routines that simulate the effects of land transitions through area-based changes in vegetation cover. Further, such a classification scheme is congruent with existing forestry tools employed to predict the evolution of forest structure over interannual time scales, and as such, may be viewed as a tool that links the climate and forest modeling communities.
On the Retrieval of Sea Ice Thickness and Snow Depth using
Concurrent Laser Altimetry and L-Band Remote Sensing Data
Authors: Zhou Lu , Xu Shiming , Liu Jiping , Wang Bin
Published: August 2017

Abstract. The accurate knowledge of sea ice parameters, including sea ice thickness and snow depth over the sea ice cover, are key to both climate studies and data assimilation in operational forecasts. Large-scale active and passive remote sensing is the basis for the estimation of these parameters. In traditional altimetry or the retrieval of snow depth with passive microwave sensing, although the sea ice thickness and the snow depth are closely related, the retrieval of one parameter is usually carried out under assumptions over the other. For example, climatological snow depth data or as derived from reanalyses contain large or unconstrained uncertainty, which result in large uncertainty in the derived sea ice thickness and volume. In this study, we explore the potential of combined retrieval of both sea ice thickness and snow depth using the concurrent active altimetry and passive microwave remote sensing of the sea ice cover. Specifically, laser altimetry and L-band passive remote sensing data are combined using two forward models: the L-band radiation model and the isostatic relationship based on buoyancy model. Since the laser altimetry usually features much higher spatial resolution than L-band data from Soil Moisture Ocean Salinity (SMOS) satellite, there is potentially covariability between the observed snow freeboard by altimetry and the retrieval target of snow depth on the spatial scale of altimetry samples. Statistically significant correlation is discovered based on high-resolution observations from Operation IceBridge (OIB), and with a nonlinear fitting the covariability is incorporated in the retrieval algorithm. By using fitting parameters derived from large-scale surveys, the retrievability is greatly improved, as compared with the retrieval that assumes flat snow cover (i.e., no covariability). Verifications with OIB data show good match between the observed and the retrieved parameters, including both sea ice thickness and snow depth. With detailed analysis, we show that the error of the retrieval mainly arises from the difference between the modeled and the observed (SMOS) L-band brightness temperature (TB). The narrow swath and the limited coverage of the sea ice cover by altimetry, as well the uncertainty associated with the radiation model are potential sources of error. The proposed retrieval algorithm (or methodology) can be applied to the basin-scale retrieval of sea ice thickness and snow depth, using concurrent passive remote sensing and active laser altimetry based on satellites such as ICESat and ICESat-2.
Investigating Associations Between Proliferation Indices, C-kit, and Lymph Node Stage in Canine Mast Cell Tumors
Authors: Krick Erika Lauren , Kiupel Matti , Durham Amy C. , Thaiwong Tuddow , Brown Dorothy C. , Sorenmo Karin U.
Published: August 2017

Previous studies have evaluated cellular proliferation indices, KIT expression, and c-kit mutations to predict the clinical behavior of canine mast cell tumors (MCTs). The study purpose was to retrospectively compare mitotic index, argyrophilic nucleolar organizer regions (AgNORs)/nucleus, Ki-67 index, KIT labeling pattern, and internal tandem duplication mutations in c-KIT between stage I and stage II grade II MCTs. Medical records and tumor biopsy samples from dogs with Grade II MCTs with cytological or histopathological regional lymph node evaluation were included. Signalment, tumor location and stage, and presence of a recurrent versus de novo tumor were recorded. Mitotic index, AgNORs/nucleus, Ki-67, KIT staining pattern, and internal tandem duplication mutations in exon 11 of c-KIT were evaluated. Sixty-six tumors (51 stage I; 15 stage II) were included. Only AgNORs/nucleus and recurrent tumors were significantly associated with stage (odds ratio 2.8, 95% confidence interval [CI] 1.0–8.0, P = .049; odds ratio 8.8, 95% CI 1.1–69.5; P = .039). Receiver-operator characteristic analysis showed that the sensitivity and specificity of AgNORs/cell ≥ 1.87 were 93.3% and 27.4%, respectively, (area under the curve: 0.65) for predicting stage. Recurrent tumors and higher AgNORs/nucleus are associated with stage II grade II MCTs; however, an AgNOR cutoff value that reliably predicts lymph node metastasis was not determined.
Effect of Cricoarytenoid Joint Preservation and Suture Tension on Arytenoid Lateralization
Authors: Davis Elizabeth , Salinardi Brenda , Spina Jason , Sharp Claire
Published: August 2017

The objective of this experimental study was to evaluate the effects of cricoarytenoid (CA) joint preservation versus disarticulation on rima glottidis (RG) area with the epiglottis open and closed under both low and high suture tension. Canine cadaver larynges were used. A unilateral arytenoid lateralization (UAL) was performed with low or high suture tension and with the CA joint preserved or disarticulated. Rima glottidis area was measured with the epiglottis in an open and closed position. Results indicated that RG area was increased over baseline when UAL was performed with both low and high suture tension when the epiglottis was in an open position. High suture tension resulted in a greater increase in RG area compared to low suture tension, both when the CA was preserved and disarticulated. There was no difference in RG area when the CA was disarticulated versus preserved at either suture tension. Rima glottidis area was not significantly increased over baseline when the epiglottis was in a closed position except in the group with CA joint preservation and high suture tension. Although this study suggests that UAL can be performed with or without CA disarticulation, further studies are warranted before UAL without CA disarticulation can be recommended clinically.
Magnetic Resonance Imaging and Clinical Findings Associated with Choroid Plexus Spinal Cord “Drop” Metastases
Authors: Yeamans Carmen L. , Gutierrez-Quintana Rodrigo , Haley Allison , Lamm Catherine G.
Published: August 2017

A 5 yr old castrated male whippet presented with a unique presentation of ambulatory paraparesis and subsequent diagnosis of primary intracranial choroid plexus carcinoma, with metastases to the cervical, thoracic, lumbar, and sacral spinal cord segments. Magnetic resonance imaging was performed initially of the thoracolumbar vertebral column and was followed by MRI sequences of the brain for confirmation of the presence of a primary intracranial tumor. The dog was euthanized immediately following diagnostic imaging due to the severity of clinical signs and poor prognosis. Postmortem examination confirmed the presence of a primary choroid plexus carcinoma, with diffuse metastatic lesions to the spinal cord. To the authors’ knowledge, this is the first description of MRI findings of spinal cord metastasis of a choroid plexus carcinoma in a dog. Additionally, this case demonstrates primary clinical signs arising from metastatic lesions. This confirms the importance of extensive neuroimaging investigations when suspecting choroid plexus tumors and evaluating response to treatment regimens.
Diphallia in a Mixed-Breed Puppy: Case Report
Authors: Laube Rebecca , Cook Alysa , Winkler Kevin
Published: August 2017

An 8 mo old intact male mixed-breed dog presented for diphallia with paraphimosis of the nonfunctional, accessory penis. Bloodwork, an abdominal ultrasound, and a positive contrast retrograde urethrogram were performed and revealed no other structural abnormalities. Surgical excision of the accessory penis was elected. This is one of three reported cases of diphallia in the dog in the English literature, but this is the only case in which no other congenital abnormalities were identified. The authors also review diphallia in both the veterinary and human literature.
From Darkness into Light: A Comparative Study of Illusion and Reality in Anton Chekhov’s “The Kiss” and Thomas Wolfe’s “The Far and the Near”
Authors: Hajjari Leila , Aliakbari Harehdasht Hossein , Mirzaie Yasaman
Published: August 2017

This paper is an attempt for a comparative study of two famous short stories, one by Anton Chekhov called “The Kiss” and the other by Thomas Wolfe by the name of “The Far and the Near”. The focus of the study is on the analysis of the theme of illusion versus reality, and the approach to the stories has basically been analogical in essence which compares and contrasts this theme in the two stories, and the relevant aspects of the stories such as characterization, symbols, or motifs, to name but few, have been deployed as technical/literary tools for the better apprehension of the working appearance and reality on the protagonists. The results of the study show that the characters’ inability in recognizing the true meaning of what appears to them as reality on the one hand, and their idealization of the apparent reality caused by their subconscious desire for self-deception on the other, have dismantled the protagonists’ power of perception; the ensuing disillusionment caused by the final affirmation of reality which is achieved by recognition of reality/truth leads to their catastrophic end, that is, a deeper alienation and sharper feeling of alienation and desperation. The study finds significance in the fact that no similar comparative study of the two short stories have been yet done. The authors hope that this study will contribute hugely to the criticism of the two short stories and start a resurgence of interest in the study of them comparatively utilizing different approaches.
Effects of using bycatch reduction devices on the Colombian Caribbean Sea shrimp fishery
Authors: Manjarrés L , Duarte LO , Altamar J , Escobar F , García C , Cuello F
Published: August 2017

Effects of the fisheye bycatch reduction device (BRD) and turtle excluder device (TED) on shrimp retention and bycatch reduction were assessed, aiming to increase sustainability and attenuate the ecological impact of shrimp trawls in the Colombian Caribbean Sea. A total of 88 hauls were carried out in two different periods. The four shrimp trawl nets of the fishing vessel were each equipped with a different device configuration: BRD, TED, TED/BRD, and control (without devices). The highest reduction in incidental catch rates was recorded for the BRD-equipped net, whereas a lower reduction of fish, a higher reduction of invertebrates and discards, and a lower retention of shrimp were recorded for the TED-equipped net. Using BRD, a significant reduction in catch per unit effort was recorded for six (Lutjanus synagris, Lepophidium spp., Diplectrum spp., Synodus spp., Syacium spp., and Bagre marinus) of twelve fish species or species groups selected because of their commercial value or higher catch rates. The results indicate that widespread use of BRDs in the southern area of the Colombian Caribbean Sea would allow a decrease of 727 t of bycatch and 37 t of shrimp in the catches per year, whereas using both TED and BRD, these reductions would be 1529 t of bycatch and 128 t of shrimp per year. Some changes in the device designs currently used are considered feasible in order to increase shrimp retention and reduce the resistance of crews to adopt these devices, but at the same time attenuating the impact of fishing activities on bycatch species and recovering the abundances of the exploited demersal fish populations.
Reproductive biology of the sea cucumber Parastichopus parvimensis (Echinodermata: Holothuroidea) at Isla Natividad and Bahía Tortugas, Baja California Sur, Mexico
Authors: Fajardo-León MC , Suárez-Higuera MCL , Del Valle-Manríquez A , Hernández-López A
Published: August 2017

The reproduction of the sea cucumber Parastichopus parvimensis was studied from April 2000 to August 2001 at Isla Natividad and from March 2003 to March 2004 at Bahía Tortugas, Baja California Sur, Mexico. Samples were collected manually by semi-autonomous diving. The sea cucumber is a dioecious species, without external sexual dimorphism, with ramified gonad. The development of the gonad confirmed five stages: undifferentiated, gametogenesis, ripe, spawning, and postspawning; this indicated annual synchronous reproduction in both study areas. The sex ratio was 1:1. The variation of the gonadosomatic index was directly related to the gonadal development. Maximum maturity and spawning were recorded from February to May at both sites. The weight at first maturity was 140 g at Isla Natividad and 120 g at Bahía Tortugas. In both areas P. parvimensis showed seasonal visceral atrophy from August to October. As a fishery management alternative, we propose one closed season from February to May to protect the reproductive season (ripe/spawning), and another from August to October to protect the period when the internal organs are absent or atrophied.
Particulate metal in the Ulla River estuary: State and sources of contamination (Arosa Ria, NW Iberian Peninsula)
Authors: Prego R , Belzunce MJ , Cobelo A , Helios-Rybicka E
Published: August 2017

The metal content measured in surface sediment and suspended particulate matter (SPM) samples collected from the Ulla River estuary (NW Spain) showed evidence of contamination by Cr, Cu, Mn, Ni, and Zn, but not by Cd, Fe, and Pb. The metals are trapped mainly in the sediment of two estuary zones, just before they reach the Arosa Ria. The first zone is located at the estuary head, where estuarine mixing occurs and the SPM from the Ulla River contributes Cu, Mn, Ni, and Zn, while the Sar River discharges urban waste and Cr. The second zone is located at the estuary mouth (ria head), where a weak sediment dynamics and the presence of mussel rafts results in contamination by Cu and Cr, metals that are abundant in the SPM that manages to traverse a shallow sand bar found before the estuary mouth.
Phenanthrene and nitrite effects on juvenile sea bass, Dicentrarchus labrax, using hepatic biotransformation enzymes, biliary fluorescence, and micronuclei as biomarkers
Authors: Reis-Henriques MA , Ferreira M , Coimbra AM , D'Silva C D , Costa J , Shailaja MS
Published: August 2017

Aquatic organisms may absorb organic compounds mainly from water and by ingestion of contaminated food. The toxicity of such compounds may be intensified by the presence of certain inorganic compounds such as nitrite (NO2–). In order to evaluate the effect of phenanthrene (PHE), a polycyclic aromatic hydrocarbon, in the presence and absence of NO2–, juvenile sea bass, Dicentrarchus labrax L, were exposed to PHE i.p. and to NO2– in water, and several endpoints were measured at days 1, 3, and 6 of exposure. Sea bass exposed to PHE exhibited lower hepatic 7-ethoxyresorufin O-deethylase (EROD) activity as compared to the control group. The activity of the phase II enzyme, glutathione S-transferase (GST), was similar in all the groups of fish. The concentration of PHE metabolites, determined as fluorescent aromatic compounds, was nearly 14 times higher both in the presence and absence of NO2–, showing that even at low EROD activities this PAH is metabolized. The presence of micronuclei was observed to be significantly higher only in sea bass treated with PHE alone, suggesting that different PHE metabolites, without genotoxic properties, were formed in the presence of NO2–.
Effects of chronic trawling disturbance on the secondary production of suprabenthic and infaunal crustacean communities in the Adriatic Sea (NW Mediterranean)
Authors: Ligas A , De Biasi AM , Demestre M , Pacciardi L , Sartor P , Cartes JE
Published: August 2017

Towing gears are known to produce several kinds of effects on benthic ecosystems. As small organisms and benthic species with faster growth rates and shorter life histories can withstand the fishing mortality and benefit from reduced competition or predation, trawl fishing can enhance their proliferation. Thus, trawl fishing can lead to biomass loss and production increase, since smaller specimens are more productive than bigger ones. In the present study we evaluate the effects, if any, of trawling on benthic crustacean macrofaunal production rates. Sampling was carried out in two neighbouring sites in the central Adriatic Sea (central Mediterranean), one affected by fishing activity and one not. Production and production/biomass (P/B) ratio of 13 species of peracarid and eucarid crustaceans were estimated using the Hynes size-frequency method. Estimates measured at both sites were compared in order to test the hypothesis that higher production and P/B values should occur in the fished area rather than in the unfished one. Our results indicated that the effects on the species are more complex than expected in regard to this hypothesis, and that they depend on the ecological and behavioural characteristics of the selected species.
Lack of genetic differentiation among size groups of jumbo squid (Dosidicus gigas)
Authors: Sandoval-Castellanos E , Uribe-Alcocer M , Díaz-Jaimes P
Published: August 2017

The population structure of the jumbo squid (Dosidicus gigas) is complex, containing several cohorts and three groups defined by their size (small, medium, and large) and by differences in maturation, growth, and life span. Several authors have indicated the possibility of such groups representing discrete genetic units even at level subspecies or species in statu nascendi. Genetic divergence was tested in samples from the Gulf of California (Mexico) and Peruvian Sea by estimation of population divergence statistics, an exact test of homogeneity of allele frequencies, analysis of molecular variance, and genealogical trees applied to data obtained with two molecular markers: RAPDs and mtDNA sequences identified by SSCPs. Neither significant values of θ (FST) nor significant heterogeneity in allele frequencies were detected. Lack of evidence does not imply complete lack of differentiation among the groups but supports the fact that a geographically spread population can have different size groups without relevant genetic differentiation, implying that the hypothetical genetically differentiated groups can occur in different ecological niches.
Perovskite Structure Compounds
Authors: Shimakawa Yuichi
Published: August 2017

Compounds with the perovskite structure have been studied extensively because they show a wide variety of physical and chemical properties, and many of the properties are widely used in technological applications. Perovskites and perovskite‐related compounds arguably represent the most important, fundamental, and intriguing family of complex materials. In this chapter, a large variety of the perovskite structure compounds are reviewed and structural features of the fundamental compounds are highlighted. Because the diverse varieties of physical and chemical properties that the perovskite materials show are described in the following chapters, they will not be described in detail in this chapter. Some synthesis techniques for preparing perovskites are also focused on in different chapters.
Local Atomic Order in Intermetallics and Alloys
Authors: Haarmann Frank
Published: August 2017

Phases formed by different types of metal atoms as well as those formed by metal and metalloid atoms are considered as intermetallic compounds. In contrast to this, alloys can be single‐ or multiphase materials. This chapter focuses on single‐phase materials and gives a short overview about their crystal structures focusing on local ordering of the atoms. It discusses a strategy to investigate local ordering of the atoms in intermetallic phases (IPs) by a combined application of nuclear magnetic resonance (NMR) spectroscopy, quantum mechanical (QM) calculations, and diffraction methods. The chapter also discusses some investigations of local ordering in IPs following this strategy. It further describes thermoelectric materials and phase‐change materials (PCMs). Different types of IPs can be considered as potential thermoelectric materials such as several chalcogenide compounds, FeSb2, half‐Heusler phases, Skutterudites, Clathrates, and the Zintl phase Yb14MnSb11.
Ge–Sb–TePhase‐Change Materials
Authors: Deringer Volker L. , Wuttig Matthias
Published: August 2017

Phase‐change materials (PCMs) are chemical ingredients for diverse data storage and data processing applications. They can be rapidly and reversibly switched between crystalline and amorphous phases, and a pronounced contrast in physical properties between both phases is used to encode digital “ones” and “zeroes.” In this chapter, we review the solid‐state chemistry (and physics) of Ge–Sb–Te alloys that are among the most promising PCMs and are widely used from rewriteable Blu‐ray disks to prototypes for future memory technologies. The atomic structures of crystalline and amorphous Ge–Sb–Te alloys are reviewed in sequence, and it is shown how the fundamental microscopic nature of these materials can be directly linked to unconventional and technologically valuable properties. An outlook onto emerging applications of Ge–Sb–Te PCMs is finally given, exemplifying the diversity and usefulness of this class of solid‐state materials.
Crystal Growth Via the Gas Phase by Chemical Vapor Transport Reactions
Authors: Binnewies Michael , Glaum Robert , Schmidt Marcus , Schmidt Peer
Published: August 2017

By means of chemical vapor transport reactions (
CVT
) a variety of solid‐state compounds can be prepared, mostly as impurity free single crystals. Representatives are well‐established for elements, intermetallics, halides, oxides, sulphides, selenides, tellurides, pnictides, and so on. The fundamental thermodynamic principles of
CVT
reactions are discussed for both single equilibrium reactions (Schaefer model) and more complex reaction mechanisms using the term “gas phase solubility.” Different working techniques for realization of vapor transport experiments are described in detail: application of suitable ampoule materials, furnace assembly, handling of different transport agents, calculation of vapor pressure, experimental procedure.

The characteristic vapor transport behavior is described for selected representatives of above‐mentioned classes of solids. Accordingly, some information is given concerning the choice of appropriate transport agent, the evaluation of transport direction, and the viable transport conditions. The simplified deduction or estimation of transport conditions for new compounds of related chemical composition or similar chemical behavior is discussed for the different substance classes. At least, complex thermodynamic modeling of
CVT
reactions applying the
CalPhaD
method using freeware is introduced.
Growth of Wide Bandgap Semiconductors by Halide Vapor Phase Epitaxy
Authors: Oshima Yuichi , Vίllora Encarnación G. , Shimamura Kiyoshi
Published: August 2017

Halide vapor phase epitaxy (
HVPE
) is a type of chemical vapor deposition (
CVD
) that is characterized by a high rapid growth rate and high purity of the resulting crystals. Nowadays,
HVPE
is an indispensable growth technique of thick layers of various III–V semiconductors, such as
GaAs

1−
x

P

x

,
InP
,
GaN
, and
AlN
. Furthermore, HVPE is also applicable to the growth of oxide wide bandgap semiconductors such as
ZnO
and
Ga
2
O
3
. In this chapter, we first present the outline of
HVPE
technique, including the principle and technical basics of the equipment. Second, we review the production technologies of
GaN
wafers, which is one of the most important applications of
HVPE
. Finally, we overview the recent progress in the
HVPE
of
Ga
2
O
3
, a new emerging oxide with a great potential to realize high‐performance power devices.
Growth of Silicon Nanowires
Authors: Li Fengji , Zhang Sam
Published: August 2017

This chapter summarizes essential aspects of silicon (Si) nanowire growth. Section 1 introduces growth techniques and presents problems. Section 2 discusses two thermodynamic processes ofSinanowires growth via thermal evaporation of Si‐containing powders. The chapter also presents critical rethinking of the “oxide‐assisted growth” theory that believes Si nanoparticles precipitated through the disproportionation ofSiOseed and grow into Si nanowires. Instead, a metal‐catalyzed solid–liquid–solid mechanism is proposed to explain the seeding and growth of Si nanowires during thermal evaporation. Section 3 is dedicated to theSinanowires grown through thermal annealing of metal‐coatedSiwafers. The structure and morphology of the metal catalyst layer, structure and composition, growth orientation, and morphology of the nanowires are studied systematically. Oxygen in the system quickly oxidizeSiinto coaxial and triple‐concentric nanowires with a crystallineSicore or completely amorphousSiOxnanowire, depending on the extent of protection. The growth orientation of theSinanowires is determined by the ordered planes of the metallic catalyst at the wire–catalyst interface at the onset of the growth. The morphology of theSinanowires is controlled by the diameter, phase distribution, vibration, and eutectic precipitation of the seedingNiSiOdroplet.
Neutron Diffraction
Authors: Meven Martin , Roth Georg
Published: August 2017

Neutron diffraction as an analytical tool in solid‐state chemistry is briefly presented. We start by recalling a few characteristic properties of the neutron that make thermal neutrons a unique structural probe in solid‐state science. The generation of neutrons, some fundamentals of neutron diffraction, concepts and components of instrumentation for powder as well as single‐crystal neutron diffraction are briefly touched upon. A major part of this chapter deals with typical applications of neutron diffraction, among them being the study of hydrogen in crystals, the use of the peculiar diffraction contrast offered by neutrons to distinguish elements with similar atomic number, study of static disorder and thermal displacements in high‐
T
c
superconductors, the superior precision of structural parameters obtained from neutron diffraction data, magnetic structures from neutron diffraction, complementary use of single‐crystal
X
‐ray and neutron diffraction data to obtain bonding electron densities in crystals, and the determination of spatially resolved magnetization densities in solids. The last example contains spatially resolved
in situ
neutron diffraction on batteries.
Characterization of Quasicrystals
Authors: Steurer Walter
Published: August 2017

Quasicrystals (QCs) are binary or ternary intermetallic phases with quasiperiodic crystal structures, which can be characterized on all length scales by the same methods and techniques as periodic intermetallics. Quantitative QC structure analysis, however, is still a challenge and requires a specific approach that is in the focus of this chapter. Electronmicroscopic techniques, such as HRTEM, HAADF‐STEM, and ABF‐STEM, are discussed for the derivation of local structural features, as well as diffraction methods for the quantitative determination of the global structure. Charge flipping (CF) and low‐density elimination (LDE) are introduced as powerful tools for QC structure solution. Some fundamental problems related with QC structure analysis are addressed.
Mößbauer Spectroscopy
Authors: Raphael Hermann
Published: August 2017

Mössbauer spectroscopy and related synchrotron radiation‐based nuclear resonance techniques are powerful albeit specialized methods that provide unique insights into the dynamics and coordination of atoms by probing transitions between a nuclear excited state and a nuclear ground state. This chapter provides examples that bear a relation to solid‐state chemistry of how Mössbauer spectroscopy has contributed to our understanding of the structure and properties of materials. A most informative quantity that can be obtained from a Mössbauer spectroscopy experiment is the isomer shift δ. Empirically, this quantity is obtained from the center of mass of a particular component or subspectrum. Whereas the isomer shift provides a localized measure of the electronic density at the nucleus ‐ a Coulomb‐type charge monopole interaction ‐ the quadrupole splitting of the nuclear levels measures the distortion of the spatial distribution of the electronic charge around the nucleus.
Modern Electron Paramagnetic Resonance Techniques and Their Applications to Magnetic Systems
Authors: Zorko Andrej , Pregelj Matej , Arčon Denis
Published: August 2017

Ever since its invention in 1940s the electron paramagnetic resonance (EPR) has been one of the most important and versatile spectroscopic methods for studies of new materials. Numerous approaches ranging from conventional continuous wave to more modern pulsedEPRtechniques were introduced to provide insight into their structure, dynamics, or chemical reactivity at the local scale. More recently, efforts to increase sensitivity and enhance resolution led to highly innovative detection methods and expandedEPRto high‐frequency high‐magnetic field experimental regimes. Such intensive experimental instrumentation development together with parallel theoretical breakthroughs in particular enabledEPRto provide unique information about the spin Hamiltonians and the nature of low‐energy excitations in magnetic systems. Here, we review such modern approaches for studies of low‐dimensional and frustrated quantum antiferromagnets and provide several examples where full strength of theEPRtechnique is demonstrated. We provide thorough overview of the “conventional” Kubo–Tomita theory and critically comment its applicability to one‐dimensional spin systems. There, alternative approaches based on exact computations of theEPRresponse and Oshikawa–Affleck field theory have been successfully implemented. Finally, we also review the (anti)ferromagnetic resonance in the magnetically ordered phase. Important instrumental and theoretical advances that we have witnesses in the last couple of decades significantly extend the range of applicability ofEPRand shall lead to many new discoveries in the future.
Organoclays and Polymer‐Clay Nanocomposites
Authors: Vicente M.A. , Gil A.
Published: August 2017

This chapter aims at reporting on developments in the synthesis, properties, and applications of polymer organolayered clay hybrid nanocomposites. This type of hybrid organic–inorganic materials may be obtained from various synthetic routes comprising solution reaction,
in situ
intercalative polymerization and melt intercalation. Two types of structure may be obtained, namely, intercalated nanocomposites where the polymer chains are sandwiched in between silicate layers and exfoliated nanocomposites where the separated, individual silicate layers are dispersed in the polymer matrix. This family of materials exhibits enhanced properties at very low filler level, such as increased Young's modulus, increase in thermal stability and gas barrier properties, and good flame retardancy. The applications stem from the combination of the characteristics of the organic component with the functionality of the inorganic constituents.
Bioactive Glasses
Authors: Maeda Hirotaka , Kasuga Toshihiro
Published: August 2017

Bioactive glasses have a specific ability to bond directly to living bones through the formation of hydroxycarbonate apatite at their interface. Ions released from the glass matrix upon dissolution can influence cellular responses. Using glass matrices has a significant advantage, as the structure and physicochemical properties of the glass matrix can be tuned by adjusting its chemical composition. This chapter introduces three types of bioactive glasses of different chemical compositions. The first section reviews silicate‐based glass systems. Therein, we demonstrate that the silicate network connectivity plays an important role in apatite‐formation and solubility of the glass system. The second section discusses borate‐based glasses. Borate glass matrices have a lower chemical durability than silicate‐based glasses and can be completely converted into apatite. Finally, the solubility and structure of phosphate‐based glasses are discussed in the third section. The section additionally presents invert glasses with unique structures.
Density Functional Theory
Authors: Springborg Michael , Dong Yi
Published: August 2017

At first, the foundations for density‐functional theory are reviewed. Subsequently, special aspects related to applying the theory to the study of the properties of materials, in particular solid systems, are presented. Finally, some of the currently open issues are discussed.
Magnetic Properties from the Perspectives of Electronic Hamiltonian
Authors: Whangbo Myung‐Hwan , Xiang Hongjun
Published: August 2017

In this chapter, we review the quantitative and qualitative aspects of describing the properties of magnetic solids on the basis of electronic Hamiltonian that describes the energy states of a magnetic system using both orbital and spin degrees of freedom. To quantitatively discuss a magnetic property of a given magnetic system, one needs to generate the spectrum of its energy states and subsequently average the properties of these states with each state weighted by its Boltzmann distribution factor. Currently, this is an impossible task to achieve on the basis of an electronic Hamiltonian, so it is necessary to resort to a simple model Hamiltonian, that is, a spin Hamiltonian that describes the energy states of a magnetic system using only the spin degree of freedom. We show that a spin Hamiltonian approach becomes consistent with an electronic Hamiltonian approach if the spin lattice and its associated spin exchange parameters, to be used for the spin Hamiltonian, are determined by the energy‐mapping analysis based onDFTcalculations. The preferred spin orientation (i.e., the magnetic anisotropy) of a magnetic ion is not predicted by a spin Hamiltonian because it does not include the orbital degree of freedom explicitly. In contrast, the magnetic anisotropy is readily predicted by electronic structure theories employing both orbital and spin degrees of freedom, if one takes into consideration the spin–orbit coupling (SOC), , of a magnetic ion where and are, respectively, the spin and orbital operators and λ theSOCconstant. It was shown that the preferred spin orientation of a magnetic ion can be predicted and understood in terms of theHOMO–LUMOinteractions of the magnetic ion by takingSOC, , as perturbation. A spin Hamiltonian gives rise to the spin‐half misconception, namely, the blind belief that spin‐half magnetic ions do not possess magnetic anisotropy that arise fromSOC. This misconception contradicts not only experimental observations on spin‐half ions but also theoretical results based onDFTcalculations and perturbation theory analyses based on an electronic Hamiltonian. This misconception is a direct consequence from the limitedness of a spin Hamiltonian that it lacks the orbital degree of freedom. We show that the magnetic properties of 5dion oxides are better explained by theLS‐coupling than by thejj‐coupling scheme ofSOC, and the spin‐orbital entanglement of 5dions is not as strong as has been assumed.
DFT
Calculations for Real Solids
Authors: Schwarz Karlheinz , Blaha Peter
Published: August 2017

Nowadays, quantum mechanical calculations play an important role when studying the electronic structure of solids at the length scale of nanometers. In this context, different aspects need to be discussed, such as the details of the atomic structure, the quantum mechanical treatment of the electronic structure, which is mainly based on density functional theory (
DFT
), the computer codes for solving
DFT
, the parameters that determine the accuracy of the results, and various properties that can be derived from
DFT
calculations. This chapter introduces these simulation techniques and illustrates, for selected examples, which insights can be gained in structure–property relations.
Basic Properties of Well‐Known Intermetallics and Some New Complex Magnetic Intermetallics
Authors: Entel Peter
Published: August 2017

The structural, electronic, and magnetic properties of novel functional magnetic intermetallics, in particular some of the most prominent magnetic Heusler alloys, have been reviewed with emphasis on their complex magnetic behavior and nonergodic glassy features, in contrast to the well‐known properties ofTi‐NiandNi‐Alshape memory alloys. Calculational procedures have been listed throughout the text and the theoretical results have been compared with experimental findings where possible. The thermodynamic properties of a few systems (Ni–Co–Mn–In), which undergo a structural phase transformation of displacive nature in conjunction with a metamagnetic first‐order phase transition, have been discussed in detail. The importance of such magnetostructural phase transition together with the so‐called thermodynamic (kinetic) arrest phenomenon for the appearance of a giant magnetocaloric effect has been underlined. The list of references should allow bridging the gap between shape memory alloys such asTi–Ni(including recentab initiocalculations that explain the rapid decrease of the martensitic transformation temperature with disorder) and the “exotic properties” of the magnetic intermetallics.
Self‐healing Materials
Authors: Hager Martin D.
Published: August 2017

In contrast to classical man‐made materials, self‐healing materials are capable of restoring their original functionality after being damaged. Scratches in the surface can be closed; the mechanical properties can be restored. This behavior is familiar for natural materials; consequently, several design strategies for self‐healing materials have been inspired by natural processes. For instance bleeding off a small cut was mimicked by the encapsulation of healing agents. In the past few years many different general healing mechanisms, which can provide a self‐healing ability, have been investigated. All these mechanisms have one general theme in common: mobility is generated within the material in order to achieve the healing process. Depending on the different material classes, different strategies have been utilized. The main approaches to obtain self‐healing metals, self‐healing ceramics, self‐healing concrete, self‐healing asphalt, and self‐healing polymers will be presented. Due to the intrinsic properties and limitations of each material class, not all approaches can be applied for each material. Both metals and ceramics require often high temperatures for the healing processes. Concrete can be healed at room temperature due to its intrinsic properties and a kind of a natural ability for self‐healing. Moreover, asphalt as well as polymers can also be healed at room temperature or at slightly elevated temperatures. At present, different self‐healing materials have already reached the status of commercialization. This fact demonstrates the capability of this novel approach for material design.
Hydrogenation by Metals
Authors: Jin Xin , Chaudhari Raghunath V.
Published: August 2017

Hydrogenation of organic compounds with metal catalysts has been reviewed. Classification of hydrogenation reactions with different functional groups, their general characteristics, and applications are discussed. The conventional as well as novel‐structured catalysts with advances in preparation methods are reviewed. This is a brief review for a quick guidance on hydrogenation by metals with relevant references for more details.