bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of Two Different Antimicrobial Stewardship Methods on Frequency of Streamlining Antimicrobial Agents in Patients with Bacteremia
Authors: Lukaszewicz Bushen Jennifer , Mehta Jimish M. , Hamilton Keith W. , Shawn Binkley  , Timko Daniel R. , Lautenbach Ebbing , Pegues David A.
Published: November 2016

OBJECTIVE

To assess the likelihood of antimicrobial streamlining between 2 antimicrobial stewardship methods.

DESIGN

Retrospective cohort study.

SETTING

Large academic medical center.

METHODS

Frequency and time to antimicrobial streamlining were compared during a prior authorization and a prospective audit period. Streamlining was defined as an antimicrobial change to a narrower agent if available or to a broader agent if the isolate was resistant to empiric therapy. Patients included were ≥18 years old with monomicrobial bacteremia with S. aureus, Enterococcus spp., or any aerobic Gram-negative organism.

RESULTS

A total of 665 cases of bacteremia met inclusion criteria. Frequency of streamlining was similar between periods for all cases of bacteremia (audit vs restriction: 60.7% vs 53.2%; P=.12), S. aureus bacteremia (73.2% vs 76.9%; P=.671), and Enterococcus bacteremia (81.6% vs 71.9%; P=.335). Compared to restriction, the audit period was associated with an increased frequency of streamlining for cases of Gram-negative bacteremia (51.4% vs 35.6%; odds ratio [OR], 1.85; 95% confidence interval [CI], 1.06–3.25), those on the medical service (67.9% vs 53.1%; OR, 1.86; 95% CI, 1.09–3.16), and those admitted through the emergency department (71.6% vs 51.4%; OR, 2.32; 95% CI, 1.24–4.34). Characteristics associated with increased streamlining included: absence of β-lactam allergy (P<.001), Gram-negative bacteremia (P<.001), admission through the emergency department (P=.001), and admission to a medical service (P=.011).

CONCLUSIONS

Compared with prior authorization, prospective audit increased antimicrobial streamlining for cases of Gram-negative bacteremia, those admitted through the emergency department, and those admitted to a medical but not surgical service.

Infect Control Hosp Epidemiol 2016:1–7
Prosthetic Joint Infection Following Invasive Dental Procedures and Antibiotic Prophylaxis in Patients With Hip or Knee Arthroplasty
Authors: Kao Feng-Chen , Hsu Yao-Chun , Chen Wen-Hui , Lin Jiun-Nong , Lo Ying-Ying , Tu Yuan-Kun
Published: November 2016

OBJECTIVES

We aimed to clarify whether invasive dental treatment is associated with increased risk of prosthetic joint infection (PJI) and whether prophylactic antibiotics may lower the infection risk remain unclear.

DESIGN

Retrospective cohort study.

PARTICIPANTS

All Taiwanese residents (N=255,568) who underwent total knee or hip arthroplasty between January 1, 1997, and November 30, 2009, were screened.

METHODS

The dental cohort consisted of 57,066 patients who received dental treatment and were individually matched 1:1 with the nondental cohort by age, sex, propensity score, and index date. The dental cohort was further divided by the use or nonuse of prophylactic antibiotics. The antibiotic and nonantibiotic subcohorts comprised 6,513 matched pairs.

RESULTS

PJI occurred in 328 patients (0.57%) in the dental subcohort and 348 patients (0.61%) in the nondental subcohort, with no between-cohort difference in the 1-year cumulative incidence (0.6% in both, P=.3). Multivariate-adjusted Cox regression revealed no association between dental procedures and PJI. Furthermore, PJI occurred in 13 patients (0.2%) in the antibiotic subcohort and 12 patients (0.18%) in the nonantibiotic subcohorts (P=.8). Multivariate-adjusted analyses confirmed that there was no association between the incidence of PJI and prophylactic antibiotics.

CONCLUSIONS

The risk of PJI is not increased following dental procedure in patients with hip or knee replacement and is unaffected by antibiotic prophylaxis.

Infect Control Hosp Epidemiol. 2017;38:154–161
An Optimal Model on Contour of Up-Shifting Tooth for Derailleur System of Bicycle
Authors: Ma Y.-Z. , Chiou S.-J.
Published: November 2016

The relative spatial position of each chain link and the phase angle of engaged tooth are not concerned in traditional sprocket designs. As such, the chain shifting might fail regularly. In this study, an optimized path of one chain for up-shifting is derived. Such path is formed by several bended chain links sustain yaw and roll. Empirically, appropriate bending, yaw and torsion angles for tooth chamfer, could be shorten the up-shifting distance and phase angle required, eventually facilitate not only more ascending points compactly arranged on sprocket but larger chain laterodeviation which curtails sprockets clearance and integrates the sprocket unit. Then again, the optimized shifting path promotes efficiency and decreases required movement yielded by derailleur tappet pressure.
Mechanical Impact on In-Wheel Motor's Performance
Authors: Biček M. , Kunc R. , Zupan S.
Published: November 2016

In-wheel motors offer a promising solution for novel drivetrain architectures that could penetrate into the automotive industry by locating the drive where it is required, directly inside the wheels. As obtainable literature mainly deals with optimization of electromagnetic active parts, the mechanical design of electromagnetically passive parts that indirectly influence motor performance should also be reviewed and characterized for its effect on performance. The following study uniquely evaluates the impact of mechanical design and its dimensional variations to air-gap consistency between on rotor glued magnets and on stator fitted winding, for the most commonly used layout of an in-wheel motor. To meet the optimal performance of an in-wheel motor, the mechanical design requires optimization of housing elements, thermal management, geometrical and a dimensional tolerance check, and proper hub bearing selection to assure consistent electromagnetic properties. This article covers the correlation between desired electromagnetic parameters and required geometrical limitations for ensuring functionality and high performance operation. Major mechanical contributors have been analyzed with analytical calculations, numerical simulations, and verified with different sets of measurements. The relative change of motor physical air-gap size, between the stator and rotor was correlated with electromagnetic flux density.
ELLIPTIC K3 SURFACES ASSOCIATED WITH THE PRODUCT OF TWO ELLIPTIC CURVES: MORDELL–WEIL LATTICES AND THEIR FIELDS OF DEFINITION
Authors: KUMAR ABHINAV , KUWATA MASATO
Published: November 2016

To a pair of elliptic curves, one can naturally attach two K3 surfaces: the Kummer surface of their product and a double cover of it, called the Inose surface. They have prominently featured in many interesting constructions in algebraic geometry and number theory. There are several more associated elliptic K3 surfaces, obtained through base change of the Inose surface; these have been previously studied by Masato Kuwata. We give an explicit description of the geometric Mordell–Weil groups of each of these elliptic surfaces in the generic case (when the elliptic curves are non-isogenous). In the nongeneric case, we describe a method to calculate explicitly a finite index subgroup of the Mordell–Weil group, which may be saturated to give the full group. Our methods rely on several interesting group actions, the use of rational elliptic surfaces, as well as connections to the geometry of low degree curves on cubic and quartic surfaces. We apply our techniques to compute the full Mordell–Weil group in several examples of arithmetic interest, arising from isogenous elliptic curves with complex multiplication, for which these K3 surfaces are singular.
Micronutrient intake in advanced age: Te Puāwaitanga o Ngā Tapuwae Kia ora Tonu, Life and Living in Advanced Age: A Cohort Study in New Zealand (LiLACS NZ)
Authors: Wham Carol , Teh Ruth , Moyes Simon A. , Rolleston Anna , Muru-Lanning Marama , Hayman Karen , Kerse Ngaire , Adamson Ashley
Published: November 2016

A high prevalence of undernutrition has previously been reported in indigenous Māori (49 %) and non-Māori (38 %) octogenarians and may be associated with risk of micronutrient deficiencies. We examined vitamin and mineral intakes and the contributing food sources among 216 Māori and 362 non-Māori participating in Life and Living to Advanced age a Cohort Study in New Zealand, using a repeat 24-h multiple-pass recall. More than half of the Māori and non-Māori participants had intakes below the estimated average requirement from food alone for Ca, Mg and Se. Vitamin B6(Māori women only), folate (women only), vitamin E (Māori women; all men) and Zn (men only) were low in these ethnic and sex subgroups. Women had intakes of higher nutrient density in folate, vitamin C, Ca, Mg, K, vitamin A (non-Māori) andβ-carotene (Māori) compared with men (P<0·05). When controlling for age and physical function,β-carotene, folate, vitamin C, Ca and Mg were no longer significantly different, but vitamins B2, B12, E and D, Fe, Na, Se and Zn became significantly different for Māori between men and women. When controlling for age and physical function, vitamins A and C and Ca were no longer significantly different, but vitamin B2, Fe, Na and Zn became significantly different for non-Māori between men and women. For those who took nutritional supplements, Māori were less likely to be deficient in food alone intake of vitamin A, folate and Mg, whereas non-Maori were less likely to be deficient in intakes of Mg, K and Zn, but more likely to be deficient in vitamin B12intake. A lack of harmonisation in nutrient recommendations hinders the interpretation of nutrient adequacy; nonetheless, Ca, Mg and Se are key micronutrients of concern. Milk and cheese were important contributions to Ca intake, whereas bread was a key source of Mg and Se. Examination of dietary intake related to biochemical status and health outcomes will establish the utility of these observations.
Fluctuations in metabolite content in the liver of magnesium-deficient rats
Authors: Shigematsu Mei , Nakagawa Ryosuke , Tomonaga Shozo , Funaba Masayuki , Matsui Tohru
Published: November 2016

Mg deficiency induces various metabolic disturbances including glucose metabolism in the liver. However, no comprehensive information is currently available on the metabolic pathways affected by Mg deficiency. The present study examined metabolite content in the liver of Mg-deficient rats using a metabolomic analysis. In this study, 4-week-old, male Sprague–Dawley rats were fed a control diet or a Mg-deficient diet for 8 weeks. The metabolomic analysis identified 105 metabolites in the liver, and significant differences were observed in the hepatic contents for thirty-three metabolites between the two groups. An analysis by MetaboAnalyst, a web-based metabolome data analysis tool, indicated that the Mg deficiency affected taurine/hypotaurine metabolism, methionine metabolism and glycine/serine/threonine metabolism; taurine, hypotaurine, glycine, serine and threonine contents were increased by Mg deficiency, whereas the amounts of 2-ketobutyric acid (a metabolite produced by the catabolism of cystathionine or threonine) and 5'-methylthioadenosine (a metabolite involved in spermidine synthesis) were decreased. The amount of glucose 6-phosphate, a hub metabolite of glycolysis/gluconeogenesis and the pentose phosphate pathway, was significantly decreased in Mg-deficient rats. Mg deficiency also decreased metabolite contents from the citric acid cycle, including citric acid, fumaric acid and malic acid. Aberrant metabolism may be related to the allosteric regulation of enzymes; the mRNA levels of enzymes were generally similar between the two groups. The present study suggests that the Mg deficiency-mediated modulation of hepatic metabolism is as yet uncharacterised.
Valedictory
Authors: Stone Ian R.
Published: November 2016

Towards midnight on 27 June 1787, it was clear, serene and moonlit, Edward Gibbon, certainly the greatest historian of his own, and possibly of any other, era laid down his pen after having written the last lines of his masterpiece The history of the decline and fall of the Roman Empire. He did this in the agreeable surroundings of the summer house in his garden at Lausanne overlooking the lake. He commented that his first emotion was the recovery of his freedom after so many years of unremitting labour but soon ‘a sober melancholy was spread over my mind by the idea that I had taken my everlasting leave’ of the ‘old and agreeable companion’ that his book had become to him over the years (Murray 1896: 333–334).
On the polar varieties of ruled hypersurfaces
Authors: HERNANDES M.E. , MARTINS R. , RODRIGUES HERNANDES M.E.
Published: November 2016

The aim of this work is to characterise the k-polar variety Pk(X) of an (n − 1)-ruled hypersurface X ⊂ ℂn+1. More precisely, we prove that Pk(X) is empty for all k >1 and the first polar variety is empty or it is an (n − 2)-ruled variety in ℂn+1, whose multiplicity is obtained by the multiplicity of the base curve and the multiplicity of one directrix of X. As a consequence we obtain the Euler obstruction Eu0(X) of X and, in addition, we exhibit (n − 1)-ruled hypersurfaces such that Eu0(X) = m, for any prescribed positive integer m.
Running Away from the Palace: Chinese Eunuchs during the Qing Dynasty
Authors: DALE MELISSA S.
Published: November 2016

By exploring cases of runaway eunuchs, this paper aims to contribute to understandings of unfree status during the Qing dynasty (1644-1911) and more broadly to the reconstruction of the social history of eunuchs. The abundance of cases in the historical record of palace eunuchs running away, often repeatedly, reflects poorly on the imperial court's treatment of its eunuchs and effectiveness at times in controlling its eunuch population. Confessions from captured eunuchs reveal that for many life serving as a palace eunuch proved too restrictive and too oppressive to endure. The repeated flight of eunuchs suggests that for some, the possibility of punishment was preferable to continued service and waiting for an authorised exit from the system due to old age or sickness. As the majority of palace eunuchs were illiterate, cases of runaway eunuchs give voice to eunuchs and reveal: (1) the tensions that characterised labour relations between the imperial household and its eunuch workforce and (2) that eunuch status does not fit neatly into the binary of free or unfree status, but rather is something more complicated that lies on the continuum in between.
‘When politics comes into play, law is no longer law’: images of collective legal consciousness in the UK, Poland and Bulgaria
Authors: Hertogh Marc , Kurkchiyan Marina
Published: November 2016

This paper examines the idea of a common European legal culture by exploring its foundational component, ‘collective legal consciousness’, in three EU states: the UK, Poland and Bulgaria. Using a comparative research design and a variety of methods of data collection, it suggests that, underneath the thin layer of EU consensus, there are some fundamental differences in perceptions of law. The evidence shows that legal ideas are infused with perceptions of the political system. This finding suggests that the creation of a shared European legal culture depends on the prior formation of a common transnational polity right across the EU, together with a sense of political identity and of trust in the legitimacy of the European political authorities. The paper also demonstrates the multilayered character of collective legal consciousness, allowing different images of law to co-exist, underpinned by the perception of the source with which each image is associated.
Hoarding among older people: an evaluative review
Authors: Thew Graham R. , Salkovskis Paul M.
Published: November 2016

While there is considerable evidence that the factors involved in hoarding typically begin to manifest early in life (mostly in adolescence), the majority of those sampled in research studies are in their later years. As so much of our understanding of the psychological factors involved in hoarding is derived from those who are older and more chronically affected, the core hoarding psychopathology may have been masked, overlaid or even disregarded in previous research and in our approaches to clinical intervention. That is, factors relating primarily to chronicity of the problem and feelings of demoralization, hopelessness, loss and the extent of the damage caused to the person's life may swamp the processes which led to and maintain the problem. The present review examines the extent to which this is so and considers theoretical and clinical implications. The literature relevant to hoarding in later life was reviewed evaluatively in relation to a number of questions placing hoarding in a lifespan developmental context. Many studies relied on purely descriptive methodologies, meaning that typical case presentations and case histories are well documented, with less attention paid to underlying causal and maintaining mechanisms. Efforts to identify and control for factors relating to age or problem chronicity were minimal. A key future direction is the identification of younger samples of people who hoard in order to identify more clearly the processes which drive acquisition and retention of excessive amounts of material.
A motive for killing: effector functions of regulated lytic cell death
Authors: Bliss‐Moreau Meghan , Chen Alyce A , D'Cruz Akshay A , Croker Ben A
Published: November 2016

Immunological responses activated by pathogen recognition come in many guises. The proliferation, differentiation and recruitment of immune cells, and the production of inflammatory cytokines and chemokines are central to lifelong immunity. Cell death serves as a key function in the resolution of innate and adaptive immune responses. It also coordinates cell‐intrinsic effector functions to restrict infection. Necrosis was formally considered a passive form of cell death or a consequence of pathogen virulence factor expression, and necrotic tissue is frequently associated with infection. However, there is now emerging evidence that points to a role for regulated forms of necrosis, such as pyroptosis and necroptosis, driving inflammation and shaping the immune response.
A metal-organic cage incorporating multiple light harvesting and catalytic centres for photochemical hydrogen production
Authors: Chen Sha , Li Kang , Zhao Fang , Zhang Lei , Pan Mei , Fan Yan-Zhong , Guo Jing , Shi Jianying , Su Cheng-Yong
Published: November 2016

Photocatalytic water splitting is a natural but challenging chemical way of harnessing renewable solar power to generate clean hydrogen energy. Here we report a potential hydrogen-evolving photochemical molecular device based on a self-assembled ruthenium–palladium heterometallic coordination cage, incorporating multiple photo- and catalytic metal centres. The photophysical properties are investigated by absorption/emission spectroscopy, electrochemical measurements and preliminary DFT calculations and the stepwise electron transfer processes from ruthenium-photocentres to catalytic palladium-centres is probed by ultrafast transient absorption spectroscopy. The photocatalytic hydrogen production assessments reveal an initial reaction rate of 380 μmol h−1 and a turnover number of 635 after 48 h. The efficient hydrogen production may derive from the directional electron transfers through multiple channels owing to proper organization of the photo- and catalytic multi-units within the octahedral cage, which may open a new door to design photochemical molecular devices with well-organized metallosupramolecules for homogenous photocatalytic applications.
Impact of mutational profiles on response of primary oestrogen receptor-positive breast cancers to oestrogen deprivation
Authors: Gellert Pascal , Segal Corrinne V. , Gao Qiong , López-Knowles Elena , Martin Lesley-Ann , Dodson Andrew , Li Tiandao , Miller Christopher A. , Lu Charles , Mardis Elaine R. , Gillman Alexa , Morden James , Graf Manuela , Sidhu Kally , Evans Abigail , Shere Michael , Holcombe Christopher , McIntosh Stuart A. , Bundred Nigel , Skene Anthony , Maxwell William , Robertson John , Bliss Judith M. , Smith Ian , Dowsett Mitch ,   POETIC Trial Management Group and Trialists, Johnston Stephen , Todd Radha , Horgan Kieran , Chan Stephen , Holt Simon D. H. , Parton Marina , Laidlaw Ian , Vaidya Jayant S. , Irvine Tracey , Hoar Fiona , Khattak Ilyas , Kothari Ashutosh , Brazil Lucy , Gallegos Nicholas , Wheatley Duncan , Johnson Tayo , Sparrow Geoffrey , Ledwidge Serena , Mortimer Caroline , Ornstein Marcus , Ferguson Douglas , Adamson Douglas , Cutress Ramsey , Johnson Richard , Crowley Clare , Winters Zoe , Hamed Hisham , Burcombe Russell , Cleator Susan , Kelleher Muireann , Roberts Jonathan , Vesty Sarah , Hadaki Maher , Quigley Mary , Doughty Julie , Laws Siobhan , Seetharam Seema , Thorne Amanda , Donnelly Peter
Published: November 2016

Pre-surgical studies allow study of the relationship between mutations and response of oestrogen receptor-positive (ER+) breast cancer to aromatase inhibitors (AIs) but have been limited to small biopsies. Here in phase I of this study, we perform exome sequencing on baseline, surgical core-cuts and blood from 60 patients (40 AI treated, 20 controls). In poor responders (based on Ki67 change), we find significantly more somatic mutations than good responders. Subclones exclusive to baseline or surgical cores occur in ∼30% of tumours. In phase II, we combine targeted sequencing on another 28 treated patients with phase I. We find six genes frequently mutated: PIK3CA, TP53, CDH1, MLL3, ABCA13 and FLG with 71% concordance between paired cores. TP53 mutations are associated with poor response. We conclude that multiple biopsies are essential for confident mutational profiling of ER+ breast cancer and TP53 mutations are associated with resistance to oestrogen deprivation therapy.
CD301b+ dendritic cells stimulate tissue-resident memory CD8+ T cells to protect against genital HSV-2
Authors: Shin Haina , Kumamoto Yosuke , Gopinath Smita , Iwasaki Akiko
Published: November 2016

Tissue-resident memory CD8+ T (CD8 TRM) cells are an essential component of protective immune responses at barrier tissues, including the female genital tract. However, the mechanisms that lead to the initiation of CD8 TRM-mediated protective immunity after viral infection are unclear. Here we report that CD8 TRM cells established by ‘prime and pull’ method confer protection against genital HSV-2 infection, and that IFN-γ produced by CD8 TRM cells is required for this protection. Furthermore, we find that CD8 TRM-cell restimulation depends on a population of CD301b+ antigen-presenting cells (APC) in the lamina propria. Elimination of MHC class I on CD301b+ dendritic cells abrogates protective immunity, suggesting the requirement for cognate antigen presentation to CD8 TRM cells by CD301b+ dendritic cells. These results define the requirements for CD8 TRM cells in protection against genital HSV-2 infection and identify the population of APC that are responsible for activating these cells.
Evidence of Anomalously Low δ13C of Marine Organic Matter in an Arctic Fjord
Authors: Kumar Vikash , Tiwari Manish , Nagoji Siddhesh , Tripathi Shubham
Published: November 2016

Accurate estimation of relative carbon deposition (marine vs. terrestrial) is required for understanding the global carbon budget, particularly in the Arctic region, which holds disproportionate importance with respect to global carbon cycling. Although the sedimentary organic matter (SOM) concentration and its isotopic composition are important tools for such calculations, uncertainties loom over estimates provided by organic-geochemical bulk parameters. We report carbon and nitrogen concentrations and isotopes (δ13C and δ15N) of SOM at an Arctic fjord namely Kongsfjorden. We find that the bound inorganic nitrogen (ammonium attached to the clay minerals) forms a significant proportion of total nitrogen concentration (~77% in the inner fjord to ~24% in the outer part). On removing the bound nitrogen, the C/N ratio shows that the SOM in the inner fjord is made up of terrestrial carbon while the outer fjord shows mixed marine-terrestrial signal. We further show that the marine organic matter is unusually more depleted in 13C (~−24‰) than the terrestrial organic matter (~−22.5‰). This particular finding also helps explain high δ13C values of SOM as noted by earlier studies in central Arctic sediments despite a high terrestrial contribution.
Crosslinked polyarylene ether nitrile film as flexible dielectric materials with ultrahigh thermal stability
Authors: Yang Ruiqi , Wei Renbo , Li Kui , Tong Lifen , Jia Kun , Liu Xiaobo
Published: November 2016

Dielectric film with ultrahigh thermal stability based on crosslinked polyarylene ether nitrile is prepared and characterized. The film is obtained by solution-casting of polyarylene ether nitrile terminated phthalonitrile (PEN-Ph) combined with post self-crosslinking at high temperature. The film shows a 5% decomposition temperature over 520 °C and a glass transition temperature (Tg) around 386 °C. Stable dielectric constant and low dielectric loss are observed for this film in the frequency range of 100–200 kHz and in the temperature range of 25–300 °C. The temperature coefficient of dielectric constant is less than 0.001 °C−1 even at 400 °C. By cycling heating and cooling up to ten times or heating at 300 °C for 12 h, the film shows good reversibility and robustness of the dielectric properties. This crosslinked PEN film will be a potential candidate as high performance film capacitor electronic devices materials used at high temperature.
High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A β-lactamase, PenL
Authors: Yi Hyojeong , Choi Jin Myung , Hwang Junghyun , Prati Fabio , Cao Thinh-Phat , Lee Sung Haeng , Kim Heenam Stanley
Published: November 2016

The omega loop in β-lactamases plays a pivotal role in substrate recognition and catalysis, and some mutations in this loop affect the adaptability of the enzymes to new antibiotics. Various mutations, including substitutions, deletions, and intragenic duplications resulting in tandem repeats (TRs), have been associated with β-lactamase substrate spectrum extension. TRs are unique among the mutations as they cause severe structural perturbations in the enzymes. We explored the process by which TRs are accommodated in order to test the adaptability of the omega loop. Structures of the mutant enzymes showed that the extra amino acid residues in the omega loop were freed outward from the enzyme, thereby maintaining the overall enzyme integrity. This structural adjustment was accompanied by disruptions of the internal α-helix and hydrogen bonds that originally maintained the conformation of the omega loop and the active site. Consequently, the mutant enzymes had a relaxed binding cavity, allowing for access of new substrates, which regrouped upon substrate binding in an induced-fit manner for subsequent hydrolytic reactions. Together, the data demonstrate that the design of the binding cavity, including the omega loop with its enormous adaptive capacity, is the foundation of the continuous evolution of β-lactamases against new drugs.
Band gap modulation in polythiophene and polypyrrole-based systems
Authors: Kaloni Thaneshwor P. , Schreckenbach Georg , Freund Michael S.
Published: November 2016

In this paper, the structural and electronic properties of polythiophene and polyprrrole-based systems have been investigated using first-principles calculations both in periodic and oligomer forms. Of particular interest is the band gap modulation through substitutions and bilayer formation. Specifically, S has been substituted by Se and Te in polythiophene, leading to polyseleophene and polytellurophene, respectively, and N has been substituted by P and As in polypyrrole. The values obtained of the binding energy suggest that all the systems studied can be realized experimentally. Stacking (bilayer formation) of pure polythiophene, polypyrrole and their derivatives leads to linear suppression of the band gap or HOMO-LUMO gap as a function of the stacking. Mixed bilayers, including one formed from polythiophene on top of polypyrrole, have also been considered. Overall, a wide range of band gaps can be achieved through substitutions and stacking. Hybrid (B3LYP) calculations also suggest the same trend in the band gap as PBE calculations. Trends in the binding energy are similar for both periodic and molecular calculations. In addition, Γ-point phonon calculations were performed in order to check the stability of selected systems.
Alcohol consumption, genetic variants in the alcohol- and folate metabolic pathways and colorectal cancer risk: the JPHC Study
Authors: Svensson Thomas , Yamaji Taiki , Budhathoki Sanjeev , Hidaka Akihisa , Iwasaki Motoki , Sawada Norie , Inoue Manami , Sasazuki Shizuka , Shimazu Taichi , Tsugane Shoichiro
Published: November 2016

The association between alcohol intake and colorectal cancer (CRC) may vary secondary to single nucleotide polymorphisms (SNPs) in two pathways related to alcohol intake. 375 cases of CRC were identified among 38 373 Japan Public Health Center-based prospective Study (JPHC Study) participants who had returned a baseline questionnaire, reported no diagnosis of any cancer and provided blood samples. For each case, two controls were selected on matching variables. Logistic regression models were used to determine matched Odds Ratios (OR) and 95% Confidence Intervals (CI) for the association between alcohol consumption, genetic polymorphisms of enzymes in the alcohol- and folate metabolic pathways (e.g. methylenetetrahydrofolate reductase (MTHFR) rs1801133) and CRC risk. Compared to never/occasional alcohol intake, moderate to heavy alcohol intake was associated with CRC (OR = 2.12, 95% CI, 1.34–3.36). When compared to the CC genotype, the MTHFR rs1801133 CT/TT genotype was inversely associated with CRC (OR = 0.72, 95% CI, 0.54–0.97). Never/occasional consumers of alcohol with the MTHFR rs1801133 CT/TT genotype were also at a reduced risk of CRC compared to never/occasional drinkers with the CC genotype (OR = 0.68, 95% CI, 0.47–0.98) (P for interaction = 0.27). The results indicate that the folate pathway is likely to be involved in alcohol-related CRC development.
Clean thermal decomposition of tertiary-alkyl metal thiolates to metal sulfides: environmentally-benign, non-polar inks for solution-processed chalcopyrite solar cells
Authors: Heo Jungwoo , Kim Gi-Hwan , Jeong Jaeki , Yoon Yung Jin , Seo Jung Hwa , Walker Bright , Kim Jin Young
Published: November 2016

We report the preparation of Cu2S, In2S3, CuInS2 and Cu(In,Ga)S2 semiconducting films via the spin coating and annealing of soluble tertiary-alkyl thiolate complexes. The thiolate compounds are readily prepared via the reaction of metal bases and tertiary-alkyl thiols. The thiolate complexes are soluble in common organic solvents and can be solution processed by spin coating to yield thin films. Upon thermal annealing in the range of 200–400 °C, the tertiary-alkyl thiolates decompose cleanly to yield volatile dialkyl sulfides and metal sulfide films which are free of organic residue. Analysis of the reaction byproducts strongly suggests that the decomposition proceeds via an SN1 mechanism. The composition of the films can be controlled by adjusting the amount of each metal thiolate used in the precursor solution yielding bandgaps in the range of 1.2 to 3.3 eV. The films form functioning p-n junctions when deposited in contact with CdS films prepared by the same method. Functioning solar cells are observed when such p-n junctions are prepared on transparent conducting substrates and finished by depositing electrodes with appropriate work functions. This method enables the fabrication of metal chalcogenide films on a large scale via a simple and chemically clear process.
Associated factors for visibility and width of retrobulbar subarachnoid space on swept-source optical coherence tomography in high myopia
Authors: Fan Hua , Ma Hongjie , Gao Rulong , Ng Danny Siu-Chun , Cheung Carol Y. , Li Shuangnong , Wu Dezheng , Tang Shibo
Published: November 2016

Subarachnoid space (SAS) around optic nerve can be visible with swept-source optical coherence tomography (SS-OCT). However, the relevant factors for its visibility and width have not been reported. In this prospective study, 193 eyes with high myopia were evaluated by SS-OCT. The relationship between age, gender, axial length, optic disc area, parapapillary atrophy (PPA) area, peripapillary choroidal thickness with the visibility and width of SAS were assessed. The results showed that SAS was observed in 125 (64.8%) and not observed in 68 (35.2%) eyes. Visibility of SAS is associated with long axial length, high myopia, thin choroid, large PPA and large optic disc areas. Among these associations, PPA area was the only independent factor (b = 0.177, p < 0.001). The width of SAS was associated with thin choroid, long axial length, large optic disc area and large PPA area. Multivariant analysis showed that optic disc area and PPA area were independent factors for the width of SAS (b = 30.8, p = 0.016 and 16.2, p < 0.001 respectively). These results suggested that SAS was extended into the peripapillary region possibly due to extension of posterior sclera in high myopia.
GDNF-expressing STO feeder layer supports the long-term propagation of undifferentiated mouse spermatogonia with stem cell properties
Authors: Wei Xiang , Jia Yuanyuan , Xue Yuanyuan , Geng Lei , Wang Min , Li Lufan , Wang Mei , Zhang Xuemei , Wu Xin
Published: November 2016

The development of a stem cell culture system would expedite our understanding of the biology of tissue regeneration. Spermatogonial stem cell (SSC) is the foundation for lifelong male spermatogenesis and the SSC culture has been optimized continuously in recent years. However, there have been many inconveniences to reconstruct SSC self-renewal and proliferation in vitro, such as the frequent refreshment of recombinant cytokines, including GDNF, the essential growth factor for SSC maintenance. In the present study, we observed that both STO and MEF cells, which were previously used as feeders for SSC growth, did not express GDNF, but a GDNF-expressing STO feeder could support undifferentiated mouse spermatogonia propagation in vitro for three months without the refreshment of recombinant growth factor GDNF. The cell morphology, growth rate and SSC-associated gene expression remained identical to the SSCs cultured using previous methods. The transplantation of SSCs growing on these GDNF-expressing STO feeders could generate extensive colonies of spermatogenesis in recipient testes, functionally validating the stemness of these cells. Collectively, our data indicated that the further modification of feeder cells might facilitate the self-renewal and propagation of SSCs in vitro.
Intraprostatic locations of tumor foci of higher grade missed by diagnostic prostate biopsy among potential candidates for active surveillance
Authors: Kim Kwangmo , Lee Jung Keun , Choe Gheeyoung , Hong Sung Kyu
Published: November 2016

To establish optimal biopsy scheme for selection of candidates for active surveillance (AS) among prostate cancer (PCa) patients, information on topographical distribution of tumor foci of higher grade missed by contemporary biopsy amongst potential candidates of AS would certainly be useful. Thus we analyzed topographic distribution of tumor foci by examining prostatectomy specimens in 444 patients who underwent radical prostatectomy for low risk PCa. Anterior and posterior prostate areas were demarcated by a horizontal line drawn at midpoint of prostatic urethra. Among 444 subjects, patients with upgrading showed relatively higher prevalence of index tumor foci in anterior prostate than those without upgrading, though not reaching statistical significance (p = 0.252). Meanwhile, among 135 (30.4%) patients with very low risk PCa, patients with upgrading showed significantly higher prevalence of index tumor foci in anterior prostate than those without upgrading (52.2% vs 33.8%; p = 0.031). In conclusions, tumor foci of higher grade missed by diagnostic biopsy were mostly located in anterior prostate among very low risk PCa patients. Such finding would be concrete evidence to support the notion that more efforts are needed to increase accuracy in detecting tumor foci in anterior prostate among potential candidates for AS.
The role of water molecules in stereoselectivity of glucose/galactose-binding protein
Authors: Kim Minsup , Cho Art E.
Published: November 2016

Using molecular dynamics (MD) simulation methods, we attempted to explain the experimental results on ligand specificity of glucose/galactose-binding protein (GGBP) to β-D-glucose and β-D-galactose. For the simulation, a three-dimensional structure of GGBP was prepared, and homology modeling was performed to generate variant structures of GGBP with mutations at Asp14. Then, docking was carried out to find a reasonable β-D-glucose and β-D-galactose binding conformations with GGBP. Subsequent molecular dynamics simulations of β-D-glucose–GGBP and β-D-galactose–GGBP complexes and estimation of the orientation and stability of water molecules at the binding site revealed how water molecules influence ligand specificity. In our simulation, water molecules mediated interactions of β-D-glucose or β-D-galactose with residue 14 of GGBP. In this mechanism, the Phe16Ala mutant leaves both sugar molecules free to move, and the specific role of water molecules were eliminated, while the wild type, Asp14Asn mutant, and Asp14Glu mutant make hydrogen bond interactions with β-D-glucose more favorable. Our results demonstrate that bound water molecules at the binding site of GGBP are related to localized conformational change, contributing to ligand specificity of GGBP for β-D-glucose over β-D-galactose.
Introduction to NMR and MRI
Authors: Momot Konstantin I.
Published: November 2016

This chapter presents an introduction to nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) in the context of the applications of these techniques to cartilage. The introduction (Section 3.1) contains a brief overview of the relationship between the two techniques, and the following sections discuss their physical basis. Section 3.2 presents the vector model of NMR, which provides a conceptually simple picture of magnetic resonance intended to be accessible to all readers. Section 3.3 introduces the quantum-mechanical apparatus of magnetic resonance. The emphasis is placed on the density-matrix description of NMR; this section should be accessible to researchers and students with a working knowledge of linear algebra and basic quantum mechanics. The physical basis of MRI is discussed in Section 3.4.
Solid-State NMR Techniques to Study the Molecular Dynamics in Cartilage
Authors: Huster Daniel
Published: November 2016

Solid-state nuclear magnetic resonance (NMR) spectroscopy has helped provide insights into the organization and investigation of the molecular dynamics of the macromolecular components of cartilage tissue. Here, I provide an overview of solid-state NMR methods and selected application dealing with the structure and dynamics of the glycosaminoglycans and the collagen components of native cartilage tissue, cartilage under osmotic pressure, and cartilage artificially generated using tissue engineering. While the rigid collagen component is detected by cross-polarization NMR techniques either by static or magic-angle spinning NMR, the highly mobile glycosaminoglycans exhibit solution-like behavior and can be studied by high resolution magic-angle spinning NMR methods. Thus, a rather comprehensive picture of the molecular organization and dynamics of the macromolecular components in cartilage emerges, which provides the standard for performing a quality control of tissue-engineered cartilage by NMR spectroscopy.
Low-Field and Field-Cycling NMR and MRI of Cartilage
Authors: Stapf Siegfried , Mattea Carlos , Rössler Erik
Published: November 2016

Low-field experiments possess the double advantage of providing stronger relaxation contrast and feasibility of studies with small-scale, mobile scanners. Ex vivo measurements deliver high-resolution profiles that are suitable for correlating experimental parameters with corresponding magnetic resonance imaging experiments of lower spatial resolution. In addition, determining the field-dependence of relaxation times represents a unique approach to relate slow molecular dynamics with the mobility and concentration of proteins in cartilage tissue, making use of the interaction of protons with the ubiquitous, quadrupolar nitrogen nuclei. This chapter presents the state-of-the-art of nuclear magnetic resonance studies with mobile scanners and field-cycling instruments.
Combining Multi-Modal MRI and Biomechanical Modeling to Investigate the Response of Cartilage and Chondrocytes to Mechanical Stimuli
Authors: Cai Luyao , Neu Corey P. , Pierce David M.
Published: November 2016

Mechanical analysis of articular cartilage is best accomplished via integrative approaches combining multi-modal imaging, mechanical experiments, and mathematical modeling. Healthy cartilage is a load-bearing and lubricating tissue lining the bony ends in diarthrodial joints. Unfortunately, degenerative processes like osteoarthritis lead to progressive damage and ultimately to complete destruction of cartilage, in part through mechanics-mediated mechanisms. We aim to describe the synergy of imaging and modeling to measure and characterize the structural and material properties of cartilage, including tissue morphology, shape, and estimates of intra-tissue distributions of strain and stress. Displacement-encoded MRI and fiber-reinforced constitutive models emerge as excellent approaches for direct measurement and estimation of the mechanics, e.g. displacements and stresses, respectively, within the tissue. We review the application of these approaches for the study of healthy and degenerated cartilage, and challenges that arise when extending these approaches to investigate chondrocyte signaling at the single cell level.
Uni- and Multi-Parametric Magnetic Resonance Analysis of Cartilage
Authors: Ashinsky Beth G. , Spencer Richard G.
Published: November 2016

Magnetic resonance imaging (MRI) is widely used to assess cartilage status in explants, engineered tissue constructs, animal studies and clinical research. Although mean magnetic resonance parameters correlate with cartilage status, there are several challenges attached to classifying tissues based on these measurements. Correlations between MRI parameters and matrix integrity have been established in many studies, but there generally remains a substantial degree of overlap in the parameter values obtained for samples belonging to two groups e.g. control and degraded cartilage. As a result, statistically significant differences observed in the mean values of a given parameter between groups may not yield accurate classification tests. The goal of this chapter is to outline the univariate and multivariate approaches to classification and review the current literature that applies these methods to cartilage MRI.
Quantitative MRI for Detection of Cartilage Damage
Authors: Raya José G. , Ferizi Uran
Published: November 2016

In this chapter we revisit the experimental basis supporting the use of magnetic resonance imaging (MRI) to diagnose cartilage degeneration. We include those MRI parameters that are measured in vivo on clinical scanners (Chapter 23). Clinical MRI can detect severe damage with high accuracy (91%), but provides only moderate accuracy (76.7%) in detecting early damage. MRI measurements of cartilage thickness and volume are accurate (<10%), reproducible (2–10%) and highly correlated (Pearson's r = 0.58–0.997) with non-magnetic resonance measurements of thickness and volume. Quantitative biomarkers for cartilage composition show moderate-to-strong correlations with the histology score (Spearman's ρ = 0.31–0.77), and moderate-to-excellent correlation with cartilage composition (r = 0.26–0.99). Although the MRI biomarkers vary significantly between healthy and damaged cartilage (Cohen's d = 0.39–2.20), only a few studies analyzed their diagnostic value using a non-MRI standard of reference (e.g. histology, arthroscopy). Thus, further evidence is needed to support the claim that quantitative MRI biomarkers can provide added value to clinical MRI. We conclude this chapter with examples of our most recent experiments in the validation of diffusion tensor imaging (DTI) parameters as biomarkers for cartilage damage including the ability to detect damage after mechanical injury, and the validation of a clinical DTI protocol.
Organogel-assisted topochemical synthesis of multivalent glyco-polymer for high-affinity lectin binding
Authors: Krishnan Baiju P. , Raghu Sreedevi , Mukherjee Somnath , Sureshan Kana M.
Published: November 2016

Gel-assisted topochemical synthesis of a PDA-based galactocluster having 1000-fold binding affinity, compared to monomers, for various galactose binding lectins is reported.
A soft X-ray spectroscopic perspective of electron localization and transport in tungsten doped bismuth vanadate single crystals
Authors: Jovic Vedran , Rettie Alexander J. E. , Singh Vijay R. , Zhou Jianshi , Lamoureux Bethany , Buddie Mullins C. , Bluhm Hendrik , Laverock Jude , Smith Kevin E.
Published: November 2016

Polarization dependent V L-edge XAS spectra showing anisotropy in the electronic band structure of a W:BiVO4 single crystal.
Mercury capture on a supported chlorocuprate(ii) ionic liquid adsorbent studied using operando synchrotron X-ray absorption spectroscopy
Authors: Boada Roberto , Cibin Giannantonio , Coleman Fergal , Diaz-Moreno Sofia , Gianolio Diego , Hardacre Christopher , Hayama Shusaku , Holbrey John D. , Ramli Rafin , Seddon Kenneth R. , Srinivasan Geetha , Swadźba-Kwaśny Małgorzata
Published: November 2016

Oxidation and comproportionation mechanisms for mercury capture are identified.
The assembly of thiophene-based bis-pyridyl-bis-amide CoII coordination polymers and their polypyrrole-functionalized hybrid materials for boosting their photocatalytic performances
Authors: Wang Xiu-Li , Wu Xiao-Mei , Liu Guo-Cheng , Lin Hong-Yan , Wang Xiang
Published: November 2016

A series of thiophene-based bis-pyridyl-bis-amide coordination polymers have been synthesized and decorated with polypyrrole for boosting their photocatalytic properties under visible light irradiation.
Magnetic and transport properties of Fe4single-molecule magnets: a theoretical insight
Authors: Gallego-Planas Nuria , Martín-Rodríguez Alejandro , Ruiz Eliseo
Published: November 2016

DFT methods have been employed to analyse the magnetic and transport properties of a family of Fe4complexes showing single-molecule magnet behaviour deposited on gold surfaces.
Chemoselective hydrogenation of arenes by PVP supported Rh nanoparticles
Authors: Ibrahim Mahmoud , Poreddy Raju , Philippot Karine , Riisager Anders , Garcia-Suarez Eduardo J.
Published: November 2016

Polyvinylpyrrolidone-stabilized Rh nanoparticles (RhNPs/PVP) of ca. 2.2 nm in size were prepared by the hydrogenation of the organometallic complex [Rh(η3-C3H5)3] in the presence of PVP and evaluated as a catalyst in the hydrogenation of a series of arene substrates as well as levulinic acid and methyl levulinate.
Hierarchically nanostructured MnCo2O4 as active catalysts for the synthesis of N-benzylideneaniline from benzyl alcohol and aniline
Authors: Huang Xiubing , Liu Liping , Gao Hongyi , Dong Wenjun , Yang Mu , Wang Ge
Published: November 2016

Appropriate and similar ratios of Mn2+/Mn3+ and Co2+/Co3+ with excellent synergistic effects contribute to the high catalytic activity of MnCo2O4.
67Ga-metalloprobes: monitoring the impact of geometrical isomers on accumulation profiles in rat cardiomyoblasts and human breast carcinoma cells
Authors: Sivapackiam Jothilingam , Harpstrite Scott E. , Rath Nigam P. , Sharma Vijay
Published: November 2016

67Ga-metalloprobes show uptake into rat cardiomyoblasts and human breast carcinoma cells, mediated by the delocalized positive charge on the molecular surface and hydrophobicity.