bluuebunny/crossref_metadata_2025 huggingface dataset:
Potential Yield Loss in Dry Bean Crops Due to Weeds in the United States and Canada
Authors: Soltani Nader , Dille J. Anita , Gulden Robert H. , Sprague Christy L. , Zollinger Richard K. , Morishita Don W. , Lawrence Nevin C. , Sbatella Gustavo M. , Kniss Andrew R. , Jha Prashant , Sikkema Peter H.
Published: January 2018

Earlier reports have summarized crop yield losses throughout various North American regions if weeds were left uncontrolled. Offered here is a report from the current WSSA Weed Loss Committee on potential yield losses due to weeds based on data collected from various regions of the United States and Canada. Dry bean yield loss estimates were made by comparing dry bean yield in the weedy control with plots that had >95% weed control from research studies conducted in dry bean growing regions of the United States and Canada over a 10-year period (2007 to 2016). Results from these field studies showed that dry bean growers in Idaho, Michigan, Montana, Nebraska, North Dakota, South Dakota, Wyoming, Ontario, and Manitoba would potentially lose an average of 50%, 31%, 36%, 59%, 94%, 31%, 71%, 56%, and 71% of their dry bean yield, respectively. This equates to a monetary loss of US $36, 40, 6, 56, 421, 2, 18, 44, and 44 million, respectively, if the best agronomic practices are used without any weed management tactics. Based on 2016 census data, at an average yield loss of 71.4% for North America due to uncontrolled weeds, dry bean production in the United States and Canada would be reduced by 941,000,000 and 184,000,000 kg, valued at approximately US $622 and US $100 million, respectively. This study documents the dramatic yield and monetary losses in dry beans due to weed interference and the importance of continued funding for weed management research to minimize dry bean yield losses.
Dysfunctional autophagy following exposure to pro-inflammatory cytokines contributes to pancreatic β-cell apoptosis
Authors: Lambelet Martine , Terra Leticia F. , Fukaya Makiko , Meyerovich Kira , Labriola Leticia , Cardozo Alessandra K. , Allagnat Florent
Published: January 2018

Type 1 diabetes (T1D) results from β-cell destruction due to concerted action of both innate and adaptive immune responses. Pro-inflammatory cytokines, such as interleukin-1β and interferon-γ, secreted by the immune cells invading islets of Langerhans, contribute to pancreatic β-cell death in T1D. Cytokine-induced endoplasmic reticulum (ER) stress plays a central role in β-cell demise. ER stress can modulate autophagic response; however, no study addressed the regulation of autophagy during the pathophysiology of T1D. In this study, we document that cytokines activate the AMPK-ULK-1 pathway while inhibiting mTORC1, which stimulates autophagy activity in an ER stress-dependent manner. On the other hand, time-course analysis of LC3-II accumulation in autophagosomes revealed that cytokines block the autophagy flux in an ER stress independent manner, leading to the formation of large dysfunctional autophagosomes and worsening of ER stress. Cytokines rapidly impair lysosome function, leading to lysosome membrane permeabilization, Cathepsin B leakage and lysosomal cell death. Blocking cathepsin activity partially protects against cytokine-induced or torin1-induced apoptosis, whereas blocking autophagy aggravates cytokine-induced CHOP overexpression and β-cell apoptosis. In conclusion, cytokines stimulate the early steps of autophagy while blocking the autophagic flux, which aggravate ER stress and trigger lysosomal cell death. Restoration of autophagy/lysosomal function may represent a novel strategy to improve β-cell resistance in the context of T1D.
miR-375 is involved in Hippo pathway by targeting YAP1/TEAD4-CTGF axis in gastric carcinogenesis
Authors: Kang Wei , Huang Tingting , Zhou Yuhang , Zhang Jinglin , Lung Raymond W. M. , Tong Joanna H. M. , Chan Anthony W. H. , Zhang Bin , Wong Chi Chun , Wu Feng , Dong Yujuan , Wang Shiyan , Yang Weiqin , Pan Yi , Chak Wing Po , Cheung Alvin H. K. , Pang Jesse C. S. , Yu Jun , Cheng Alfred S. L. , To Ka Fai
Published: January 2018

miR-375 is a tumor-suppressive microRNA (miRNA) in gastric cancer (GC). However, its molecular mechanism remains unclear. The aim of this study is to comprehensively investigate how miR-375 is involved in Hippo pathway by targeting multiple oncogenes. miR-375 expression in gastric cancer cell lines and primary GC was investigated by qRT-PCR. The regulation of YAP1, TEAD4, and CTGF expression by miR-375 was evaluated by qRT-PCR, western blot, and luciferase reporter assays, respectively. The functional roles of the related genes were examined by siRNA-mediated knockdown or ectopic expression assays. The clinical significance and expression correlation analysis of miR-375, YAP1, and CTGF were performed in primary GCs. TCGA cohort was also used to analyze the expression correlation of YAP1, TEAD4, CTGF, and miR-375 in primary GCs. miR-375 was down-regulated in GC due to promoter methylation and histone deacetylation. miR-375 downregulation was associated with unfavorable outcome and lymph node metastasis. Ectopic expression of miR-375 inhibited tumor growth in vitro and in vivo. Three components of Hippo pathway, YAP1, TEAD4 and CTGF, were revealed to be direct targets of miR-375. The expression of three genes showed a negative correlation with miR-375 expression and YAP1 re-expression partly abolished the tumor-suppressive effect of miR-375. Furthermore, CTGF was confirmed to be the key downstream of Hippo-YAP1 cascade and its knockdown phenocopied siYAP1 or miR-375 overexpression. YAP1 nuclear accumulation was positively correlated with CTGF cytoplasmic expression in primary GC tissues. Verteporfin exerted an anti-oncogenic effect in GC cell lines by quenching CTGF expression through YAP1 degradation. In short, miR-375 was involved in the Hippo pathway by targeting YAP1-TEAD4-CTGF axis and enriched our knowledge on the miRNA dysregulation in gastric tumorigenesis.
Honokiol is a FOXM1 antagonist
Authors: Halasi Marianna , Hitchinson Ben , Shah Binal N. , Váraljai Renáta , Khan Irum , Benevolenskaya Elizaveta V. , Gaponenko Vadim , Arbiser Jack L. , Gartel Andrei L.
Published: January 2018

Honokiol is a natural product and an emerging drug for a wide variety of malignancies, including hematopoietic malignancies, sarcomas, and common epithelial tumors. The broad range of activity of honokiol against numerous malignancies with diverse genetic backgrounds suggests that honokiol is inhibiting an activity that is common to multiple malignancies. Oncogenic transcription factor FOXM1 is one of the most overexpressed oncoproteins in human cancer. Here we found that honokiol inhibits FOXM1-mediated transcription and FOXM1 protein expression. More importantly, we found that honokiol’s inhibitory effect on FOXM1 is a result of binding of honokiol to FOXM1. This binding is specific to honokiol, a dimerized allylphenol, and was not observed in compounds that either were monomeric allylphenols or un-substituted dihydroxy phenols. This indicates that both substitution and dimerization of allylphenols are required for physical interaction with FOXM1. We thus demonstrate a novel and specific mechanism for FOXM1 inhibition by honokiol, which partially may explain its anticancer activity in cancer cells.
HMG-box transcription factor 1: a positive regulator of the G1/S transition through the Cyclin-CDK-CDKI molecular network in nasopharyngeal carcinoma
Authors: He Shiwei , Yang Sheng , Niu Man , Zhong Yancheng , Dan Gao  , Zhang Yanru , Ma Haotian , Xiong Wei , Zhou Ming , Zhou Yanhong , Xiang Bo , Li Guiyuan , Shuai Cijun , Peng Shuping
Published: January 2018

HMG-box transcription factor 1 (HBP1) has been reported to be a tumor suppressor in diverse malignant carcinomas. However, our findings provide a conclusion that HBP1 plays a novel role in facilitating nasopharyngeal carcinoma (NPC) growth. The Kaplan–Meier analysis indicates that high expression HBP1 and low miR-29c expression both are negatively correlated with the overall survival rates of NPC patients. HBP1 knockdown inhibits cellular proliferation and growth, and arrested cells in G1 phase rather than affected cell apoptosis via flow cytometry (FCM) analysis. Mechanistically, HBP1 induces the expression of CCND1 and CCND3 levels by binding to their promoters, and binds to CDK4, CDK6 and p16INK4A promoters while not affects their expression levels. CCND1 and CCND3 promote CCND1-CDK4, CCND3-CDK6, and CDK2-CCNE1 complex formation, thus, E2F-1 and DP-1 are activated to accelerate the G1/S transition in the cell cycle. MiR-29c is down-regulated and correlated with NPC tumorigenesis and progression. Luciferase assays confirms that miR-29c binds to the 3′ untranslated region (3′-UTR) of HBP1. Introduction of pre-miR-29c decreased HBP1 mRNA and protein levels. Therefore, the high endogenous HBP1 expression might be attributed to the low levels of endogenous miR-29c in NPC. In addition, HBP1 knockdown and miR-29c agomir administration both decrease xenograft growth in nude mice in vivo. It is firstly reported that HBP1 knockdown inhibited the proliferation and metastasis of NPC, which indicates that HBP1 functions as a non-tumor suppressor gene in NPC. This study provides a novel potential target for the prevention of and therapies for NPC.
Probability of phenotypically detectable protein damage by ENU-induced mutations in the Mutagenetix database
Authors: Wang Tao , Bu Chun Hui , Hildebrand Sara , Jia Gaoxiang , Siggs Owen M. , Lyon Stephen , Pratt David , Scott Lindsay , Russell Jamie , Ludwig Sara , Murray Anne R. , Moresco Eva Marie Y. , Beutler Bruce
Published: January 2018

Computational inference of mutation effects is necessary for genetic studies in which many mutations must be considered as etiologic candidates. Programs such as PolyPhen-2 predict the relative severity of damage caused by missense mutations, but not the actual probability that a mutation will reduce/eliminate protein function. Based on genotype and phenotype data for 116,330 ENU-induced mutations in the Mutagenetix database, we calculate that putative null mutations, and PolyPhen-2-classified “probably damaging”, “possibly damaging”, or “probably benign” mutations have, respectively, 61%, 17%, 9.8%, and 4.5% probabilities of causing phenotypically detectable damage in the homozygous state. We use these probabilities in the estimation of genome saturation and the probability that individual proteins have been adequately tested for function in specific genetic screens. We estimate the proportion of essential autosomal genes in Mus musculus (C57BL/6J) and show that viable mutations in essential genes are more likely to induce phenotype than mutations in non-essential genes.
Topology-dependent self-structure mediation and efficient energy conversion in heat-flux-driven rotors of cholesteric droplets
Authors: Yoshioka Jun , Araoka Fumito
Published: January 2018

When heat flux is applied to a chiral liquid crystal, unidirectional rotation is induced around the flux axis, as first discovered by Otto Lehmann in 1900. In recent years, this heat-flux-induced phenomenon has been studied mostly in droplets of cholesteric liquid crystals undergoing phase transition from the isotropic to cholesteric phase, i.e., in the coexistence region, which occurs over a very narrow temperature range. Here, we report that the heat-flux-induced rotation can be stabilised by the use of a dispersion system, in which the cholesteric droplets are dispersed in a viscous and poorly miscible isotropic solvent. Interestingly, the phenomenon is found to be topology dependent. Moreover, the rotation is not only stable but also more efficient than that in the known systems. We describe in detail how the dynamics of the heat-flux-induced rotation are altered in the present dispersion system.
Intrinsic optical sectioning with upconverting nanoparticles
Authors: Sorbello C. , Etchenique R.
Published: January 2018

Scanning laser upconversion microscopy yields true multiphoton sectioning power at very low excitation densities.
In situ formation of large pore silica–MnO2 nanocomposites with H+/H2O2 sensitivity for O2-elevated photodynamic therapy and potential MR imaging
Authors: He Zhimei , Xiao Yan , Zhang Jian-Rong , Zhang Penghui , Zhu Jun-Jie
Published: January 2018

Endogenous H+-/H2O2-triggered nanohybrids for cancer cell-specific and O2 self-sufficient PDT: a promising platform for effective PDT against tumor hypoxia.
An allylated firefly luciferin analogue with luciferase specific response in living cells
Authors: Ikeda Yuma , Saitoh Tsuyoshi , Niwa Kazuki , Nakajima Takahiro , Kitada Nobuo , Maki Shojiro A. , Sato Moritoshi , Citterio Daniel , Nishiyama Shigeru , Suzuki Koji
Published: January 2018

An allylated firefly luciferin was successfully synthesized and its bioluminescence properties were evaluated.
In situ examination of a charged amino acid-induced structural change in lipid bilayers by sum frequency generation vibrational spectroscopy
Authors: Zhang Jiahui , Yang Weilai , Tan Junjun , Ye Shuji
Published: January 2018

Simultaneously capturing the structure perturbations of different lipid bilayer moiety allows us to discern the penetration depth of amino acid in cell membrane.
Conformational preferences and isomerization upon excitation/ionization of 2-methoxypyridine and 2-N-methylaminopyridine
Authors: Dai Wenshuai , Liu Sheng , Zhang Zhe , Chi Xiaoping , Cheng Min , Du Yikui , Zhu Qihe
Published: January 2018

Thesynpreferences and conformational isomerization upon excitation or ionization of 2MOP and 2NMP: spectroscopic and theoretical investigations.
Nonvolatile ternary resistive switching memory devices based on the polymer composites containing zinc oxide nanoparticles
Authors: Sun Yanmei , Wen Dianzhong , Bai Xuduo
Published: January 2018

Nonvolatile ternary memory devices were fabricated from the composites polymer blends containing zinc oxide (ZnO) nanoparticles.
Maxwell-Hall access resistance in graphene nanopores
Authors: Sahu Subin , Zwolak Michael
Published: January 2018

A novel finite-size scaling ansatz allows all-atom simulations to dissect the relative contributions of pore and access resistance in nanopores.
Polydopamine films change their physicochemical and antimicrobial properties with a change in reaction conditions
Authors: Patel Khushbu , Singh Nimisha , Yadav Jyoti , Nayak Jyotsna M. , Sahoo Suban K. , Lata Jeevan , Chand Duni , Kumar Shashank , Kumar Rajender
Published: January 2018

The present finding provides insight into the different chemistry, morphologies and properties of the designed polydopamine films with controlled antibacterial/antifouling properties.
Kinetics of spin crossover with thermal hysteresis
Authors: Bushuev Mark B.
Published: January 2018

Non-isothermal magnetic studies allow establishing a reaction model of hysteretic spin transition.
The nanoscale structure of the electrolyte–metal oxide interface
Authors: Steinrück Hans-Georg , Cao Chuntian , Tsao Yuchi , Takacs Christopher J. , Konovalov Oleg , Vatamanu Jenel , Borodin Oleg , Toney Michael F.
Published: January 2018

Combined experimental and theoretical insights into electrolyte–electrode interfaces relevant to lithium ion batteries.
Concise synthesis of ketoallyl sulfones through an iron-catalyzed sequential four-component assembly
Authors: Xiao Fuhong , Liu Chao , Wang Dahan , Huang Huawen , Deng Guo-Jun
Published: January 2018

A three starting material four component reaction (3SM-4CR) strategy is described to prepare β-acyl allylic sulfones from methyl ketones, sodium sulfinates and dimethylacetamide (DMA) in an iron-catalyzed oxidative system.
Epimerization of glucose over ionic liquid/phosphomolybdate hybrids: structure–activity relationship
Authors: Megías-Sayago Cristina , Álvarez Eleuterio , Ivanova Svetlana , Odriozola José Antonio
Published: January 2018

The influence of the crystal structure and chemical nature of some ionic liquid/phosphomolybdate hybrids on their catalytic activity in the epimerization of glucose was studied.
Fluorescent β-ketothiolester boron complex: substitution based “turn-off” or “ratiometric” sensor for diamine
Authors: Seenivasagaperumal Sriram Babu , Shanmugam Sivakumar
Published: January 2018

Boron diketonate 3 provides a choice of turn-off or ratiometric detection of diamine with respect to substitution on the boron-chelating ring. Detection of the diamine involves a substitution reaction by elimination of a methylsulfanyl group, favouring selective detection of diamine.
Selective fluorescent sensing and photocatalytic properties of three MOFs based on naphthalene-1,4-dicarboxylic acid and 2,4,5-tri(4-pyridyl)-imidazole
Authors: Wang Jun-Jie , Zhang Ren-Chun , Cao Ya-Li , Li Yan-Ang , Wang Yi-Ran , Wang Qing-Lun
Published: January 2018

Three MOFs display high sensitivity in the detection of NB and Ca2+ or Co2+ ions as luminescent probes. Moreover, 3 exhibits a relatively good photocatalytic degradation activity of rhodamine B.
Visualization and intracellular dynamic tracking of exosomes and exosomal miRNAs using single molecule localization microscopy
Authors: Chen Chen , Zong Shenfei , Wang Zhuyuan , Lu Ju , Zhu Dan , Zhang Yizhi , Zhang Ruohu , Cui Yiping
Published: January 2018

Super-resolution imaging and dynamic tracking of cancer-derived exosomes and exosomal miRNAs were realized using single molecule localization microscopy.
Facile synthesis of ultrathin two-dimensional nanosheets-constructed MCo2O4 (M = Ni, Cu, Zn) nanotubes for efficient photocatalytic oxygen evolution
Authors: Ding Erli , Li Ali , Liu Hanwen , Liu Weisheng , Chen Fengjuan , Li Tianrong , Wang Baodui
Published: January 2018

A simple and versatile approach was developed to synthesize hierarchical nanosheets-constructed MCo2O4 (M = Ni, Cu, Zn) nanotubes. The resultant nanotubes exhibited high photocatalytic activity toward water oxidation reaction.
Multi-functional organosilane-polymerized carbon dot inverse opals
Authors: Liu Junchao , Ren Junkai , Xie Zheng , Guan Bo , Wang Jingxia , Ikeda Tomiki , Jiang Lei
Published: January 2018

This paper demonstrates multi-functional optical properties of organosilane-polymerized carbon dot inverse opals, such as tricolor-fluorescence, fluorescence enhancement, multi-color micro-patterns for anti-fake applications and a thermally-induced blueshift of the bandgaps.
A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes
Authors: Kimura Shun , Tanushi Akira , Kusamoto Tetsuro , Kochi Shuntaro , Sato Tohru , Nishihara Hiroshi
Published: January 2018

Increased photostability and a theoretical estimation of the radiative and non-radiative rates of luminescent organic radicals were achieved.
Direct observation of vibrational energy dispersal via methyl torsions
Authors: Gardner Adrian M. , Tuttle William D. , Whalley Laura E. , Wright Timothy G.
Published: January 2018

Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported.
Rhombohedral NASICON-type NaxFe2(SO4)3 for sodium ion batteries: comparison with phosphate and alluaudite phases
Authors: Chung Sai-Cheong , Ming Jun , Lander Laura , Lu Jiechen , Yamada Atsuo
Published: January 2018

NASICON and alluaudite-type polymorphs of Fe2(SO4)3 as sodium battery cathodes are compared to explain large differences in their electrochemical properties.
Efficient MOF-based degradation of organophosphorus compounds in non-aqueous environments
Authors: Sava Gallis Dorina F. , Harvey Jacob A. , Pearce Charles J. , Hall Morgan G. , DeCoste Jared B. , Kinnan Mark K. , Greathouse Jeffery A.
Published: January 2018

Metal–organic frameworks are shown to degrade organophosphorus compounds in non-aqueous environments, highlighting appropriate simulants for the nerve agent sarin.
An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions
Authors: Gao Yu-Jie , Feng Mei-Ling , Zhang Bo , Wu Zhao-Feng , Song Ying , Huang Xiao-Ying
Published: January 2018

FJSM-InMOF with facile synthesis showed remarkable Cs+ and Sr2+ ion-exchange performance with an unprecedented structural-transformation to illuminate the capture mechanism.
Mechanochemical nanoparticle functionalization for liquid crystal nanocomposites based on COOH-pyridine heterosynthons
Authors: Roohnikan M. , Lindner-D'Addario M. , Toader V. , Rey A. , Tan D. , Friščić T. , Reven L.
Published: January 2018

Nanoparticle/liquid crystal (NP/LC) composites can be stabilized by hydrogen bonding, a relatively strong, yet reversible interaction allowing for the annealing of defects.
Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals
Authors: Li Hongdao , Sun Zan , Sun Juan , Xi Lu , Guo Jianni , Sun Guifang , Xie Jing , Ma Yue , Li Licun
Published: January 2018

Unprecedented octa-spin-center 2p–3d–4f compounds were obtained using a specially designed nitronyl nitroxide biradical, where the Dy analogue exhibited SMM behavior.
Dearylation of arylphosphine oxides using a sodium hydride–iodide composite
Authors: Tejo Ciputra , Pang Jia Hao , Ong Derek Yiren , Oi Miku , Uchiyama Masanobu , Takita Ryo , Chiba Shunsuke
Published: January 2018

A new protocol for the dearylative functionalization of arylphosphine oxides was developed using NaH in the presence of LiI.
Design of three‐dimensional filtering balun with inherent complete ground and enhanced stopband rejection
Authors: Yao Lidan , Wu Yongle , Li Mingxing , Jiao Lingxiao , Wang Weimin , Gao Jinchun , Liu Yuanan
Published: January 2018

A novel design approach of three‐dimensional filtering balun with inherent complete ground and enhanced stopband rejection is proposed. The whole structure consists of a horizontal feeding plane, a vertically mounted plane, and three ports. By arranging the double‐sided parallel‐strip line filter symmetrically on the two sides of the vertical plane, the frequency selectivity and complete ground are effectively synthesised. By inserting a rectangular conductor plane with two crossed slots into the middle of the vertical plane, the balanced‐to‐unbalanced conversion and stopband rejection are significantly enhanced. For demonstration, an experimental filtering balun is fabricated. The measurement agrees well with the simulation, achieving a wide upper stopband under −15 dB from 3.77 to 9.74 GHz.
Synthesis of γ-Amino Esters by Copper-Catalyzed Intermolecular 1,2-Aminoalkylation of Alkenes with Amines and α-Bromoalkyl Esters
Authors: Song Ren-Jie , Li Jin-Heng , Pan Gao-Hui , Xie Ye-Xiang , Luo Shenglian
Published: January 2018

A new copper-catalyzed intermolecular 1,2-aminoalkylation of alkenes with α-bromoalkyl esters and amines for the synthesis of γ-amino esters is described. Employing the Cu(OTf)2 and 2,2′-bipyridine catalytic system, the three-component reaction allows the formation of two new chemical bonds, including one C–C bond and one C–N bond, in a single reaction, and represents a new alkene difunctionalization using a radical strategy.
Screening for Hypogonadism in Primary Healthcare: How to do this Effectively
Authors: Livingston Mark , Jones Richard , Hackett Geoff , Donnahey Gemma , Moreno Gabriela , Duff Christopher , Heald Adrian
Published: January 2018

Background Testosterone, the most important androgen produced by the testes, plays an integral role in male health. Testosterone levels are increasingly being checked in primary healthcare as awareness of the risks of male hypogonadism grows.

Aim To investigate what tests are performed to screen for hypogonadism and to exclude secondary hypogonadism.

Design and Setting All participants attended general practices in the UK.

Methods Data search was performed using the EMIS® clinical database (provider of the majority of GP operating systems in Cheshire). The anonymised records of male patients aged 18–98 years who had undergone a check of serum testosterone during a 10-year period were analysed.

Results Overall screening rate was 4.3%. Of 8 788 men with a testosterone result, 1 924 men (21.9%) had a total testosterone level <10 nmol/L. Just 689 of 8 788 men (7.8%) had a sex hormone-binding globulin (SHBG) result, corresponding to 30.5% of those potentially hypogonadal. Estimated free testosterone was negatively associated with BMI (Spearman’s rho -0.2, p<0.001) as was total testosterone in the over 50 s. Of 1 924 potentially hypogonadal men with a serum testosterone <10 nmol/L, 588 of 1 924 (30.6%) had a check of serum prolactin. 46.3% and 41.7% had LH and FSH measured, respectively. Only 19.1% of 1 924 men with a hypogonadal total testosterone level were subsequently put on testosterone replacement. The percentage of men in the relatively socially disadvantaged category was similar for both eugonadal and hypogonadal men with a much higher rate of screening for hypogonadism in more socially advantaged men.

Conclusions Screening in primary healthcare identified a significant minority of men who had potential hypogonadism. Interpretation of a low serum testosterone requires measurement of serum prolactin, LH and FSH in order to rule out secondary hypogonadism. We suggest that this becomes part of routine screening with a balanced screening approach across the socioeconomic spectrum.
The Markov process admits a consistent steady-state thermodynamic formalism
Authors: Peng Liangrong , Zhu Yi , Hong Liu
Published: January 2018

The search for a unified formulation for describing various non-equilibrium processes is a central task of modern non-equilibrium thermodynamics. In this paper, a novel steady-state thermodynamic formalism was established for general Markov processes described by the Chapman-Kolmogorov equation. Furthermore, corresponding formalisms of steady-state thermodynamics for the master equation and Fokker-Planck equation could be rigorously derived in mathematics. To be concrete, we proved that (1) in the limit of continuous time, the steady-state thermodynamic formalism for the Chapman-Kolmogorov equation fully agrees with that for the master equation; (2) a similar one-to-one correspondence could be established rigorously between the master equation and Fokker-Planck equation in the limit of large system size; (3) when a Markov process is restrained to one-step jump, the steady-state thermodynamic formalism for the Fokker-Planck equation with discrete state variables also goes to that for master equations, as the discretization step gets smaller and smaller. Our analysis indicated that general Markov processes admit a unified and self-consistent non-equilibrium steady-state thermodynamic formalism, regardless of underlying detailed models.
Solar energy potential estimation by calculating sun illumination hours and sky view factor on building rooftops using digital elevation model
Authors: Yousuf Muhammad Uzair , Siddiqui Mubashir , Rehman Naveed ur
Published: January 2018

The detailed and precise estimation of solar energy is a major requirement for solar applications on building roof tops. These estimations help in sustainable development, energy policy making, and renewable energy consumption. In this paper, a methodology was devised to estimate the solar radiation components. This methodology is easily accessible using a simple measuring tape to form a digital elevation model with a cell size of 1 × 1 sq. ft. Liu and Jordan's model [Liu and Jordan, “The interrelationship and characteristic distribution of direct, diffuse and total solar radiation,” Sol. Energy. 4(3), 1–19 (1960)] was modified for the urban environment and programmed in MATLAB to estimate solar potential. To validate the developed algorithm and modified model, the roof-top area of the postgraduate laboratories of the Mechanical Engineering Department (NED University) was selected as a case study. Measurements were carried out on different days, which showed good agreement with the proposed work. Within the study area, the maximum sunshine hours is 3285 annually, while the site selected has at least 1502 sunshine hours irrespective of elevations. Similarly, the sky view factor has a maximum value of 1 exposed to open plain and a minimum value of 0.4143. Radiation maps were generated for the installation of solar applications. The results showed that the average beam radiation was 4.908 kWh/m2, with May and December having the maximum and minimum beam intensities of 6.679 kWh/m2 and 3.815 kWh/m2, respectively. Similarly, the average diffuse radiation was 2.289 kWh/m2, with maximum and minimum values, occurring in July and October, of 3.611 kWh/m2 and 1.299 kWh/m2, respectively. This work will help energy consultants and households in determining the solar energy potential of the existing flat rooftops and for future construction, thereby cutting energy bills and producing long-term monetary incentives from generating their own energy.
Dispersion relations for the time-fractional Cattaneo-Maxwell heat equation
Authors: Giusti Andrea
Published: January 2018

In this paper, after a brief review of the general theory of dispersive waves in dissipative media, we present a complete discussion of the dispersion relations for both the ordinary and the time-fractional Cattaneo-Maxwell heat equations. Consequently, we provide a complete characterization of the group and phase velocities for these two cases, together with some non-trivial remarks on the nature of wave dispersion in fractional models.
Experimental integration of quantum key distribution and gigabit-capable passive optical network
Authors: Sun Wei , Wang Liu-Jun , Sun Xiang-Xiang , Mao Yingqiu , Yin Hua-Lei , Wang Bi-Xiao , Chen Teng-Yun , Pan Jian-Wei
Published: January 2018

Quantum key distribution (QKD) ensures information-theoretic security for the distribution of random bits between two remote parties. To extend QKD applications to fiber-to-the-home optical communications, such as gigabit-capable passive optical networks (GPONs), an effective method is the use of wavelength-division multiplexing. However, the Raman scattering noise from intensive classical traffic and the huge loss introduced by the beam splitter in a GPON severely limits the performance of QKD. Here, we demonstrate the integration of QKD and a commercial GPON system with fiber lengths up to 14 km, in which the maximum splitting ratio of the beam splitter reaches 1:64. By placing the QKD transmitter on the optical line terminal side, we reduce the Raman noise collected at the QKD receiver. Using a bypass structure, the loss of the beam splitter is circumvented effectively. Our results pave the way to extending the applications of QKD to last-mile communications.
Different threshold and bipolar resistive switching mechanisms in reactively sputtered amorphous undoped and Cr-doped vanadium oxide thin films
Authors: Rupp Jonathan A. J. , Querré Madec , Kindsmüller Andreas , Besland Marie-Paule , Janod Etienne , Dittmann Regina , Waser Rainer , Wouters Dirk J.
Published: January 2018

This study investigates resistive switching in amorphous undoped and Cr-doped vanadium oxide thin films synthesized by sputtering deposition at low oxygen partial pressure. Two different volatile threshold switching characteristics can occur as well as a non-volatile bipolar switching mechanism, depending on device stack symmetry and Cr-doping. The two threshold switching types are associated with different crystalline phases in the conduction filament created during an initial forming step. The first kind of threshold switching, observed for undoped vanadium oxide films, was, by its temperature dependence, proven to be associated with a thermally triggered insulator-to-metal transition in a crystalline VO2 phase, whereas the threshold switch observed in chromium doped films is stable up to 90 °C and shows characteristics of an electronically induced Mott transition. This different behaviour for undoped versus doped films has been attributed to an increased stability of V3+ due to the Cr3+ doping (as evidenced by X-ray photoelectron spectroscopy analysis), probably favouring the creation of a crystalline Cr-doped V2O3 phase (rather than a Cr-doped VO2 phase) during the energetic forming step. The symmetric Pt/a-(VCr)Ox/Pt device showing high temperature stable threshold switching may find interesting applications as a possible new selector device for resistive switching memory (ReRAM) crossbar arrays.
Mechanical heterogeneity in ionic liquids
Authors: Veldhorst Arno A. , Ribeiro Mauro C. C.
Published: January 2018

Molecular dynamics (MD) simulations of five ionic liquids based on 1-alkyl-3-methylimidazolium cations, [CnC1im]+, have been performed in order to calculate high-frequency elastic moduli and to evaluate heterogeneity of local elastic moduli. The MD simulations of [CnC1im][NO3], n = 2, 4, 6, and 8, assessed the effect of domain segregation when the alkyl chain length increases, and [C8C1im][PF6] assessed the effect of strength of anion–cation interaction. Dispersion curves of excitation energies of longitudinal and transverse acoustic, LA and TA, modes were obtained from time correlation functions of mass currents at different wavevectors. High-frequency sound velocity of LA modes depends on the alkyl chain length, but sound velocity for TA modes does not. High-frequency bulk and shear moduli, K∞ and G∞, depend on the alkyl chain length because of a density effect. Both K∞ and G∞ are strongly dependent on the anion. The calculation of local bulk and shear moduli was accomplished by performing bulk and shear deformations of the systems cooled to 0 K. The simulations showed a clear connection between structural and elastic modulus heterogeneities. The development of nano-heterogeneous structure with increasing length of the alkyl chain in [CnC1im][NO3] implies lower values for local bulk and shear moduli in the non-polar domains. The mean value and the standard deviations of distributions of local elastic moduli decrease when [NO3]− is replaced by the less coordinating [PF6]− anion.
Effects of physical and chemical adsorption on the electric conductance of carbon nanotube films
Authors: Inoue Shuhei , Kokabu Takuya , Matsumura Yukihiko
Published: January 2018

We studied physical and chemical adsorption on carbon nanotube surfaces and measured the effect of adsorption on their electric conductance. The increase in capacitance at the carbon nanotube interface (due to physisorption) disturbed carrier transport, while chemisorption induced charge transfer and resulted in an increase or decrease in the electric conductance. The principle of carrier transport in carbon nanotube films could be clearly explained by applying a fluctuation-induced tunneling model. Our model proved that the surface coverage ratio and the electric conductance change ratio are closely correlated.
Bandgap bowing in Ni1−xMgxO alloy
Authors: Saitoh Tadashi , Kinoshita Kazutoshi , Inada Mitsuru
Published: January 2018

It is crucial to understand the compositional dependence of the bandgap of the Ni1–xMgxO alloy as it is a promising bandgap-tunable material for ultraviolet (UV) and deep-UV photodetectors. However, the dependence of the bandgap of this material on the Mg content, x, is still a subject of debate, as the experimentally measured optical bandgap of Ni1–xMgxO is 2–3 eV lower than that of pure MgO (7.77 eV), in contrast to that predicted by conventional bandgap bowing theories. Here, we demonstrate that the Ni1−xMgxO alloy has two bandgaps: (i) the Ni-3d bandgap Eg3d, i.e., the bandgap between the valence band (O 2p) and Ni-3d(eg) bands, where the charge-transfer (CT) transition energy weakly depends on the Mg content and (ii) the alloy bandgap EgNi1−xMgxO, i.e., the bandgap between the valence band and the conduction band of the Ni1−xMgxO alloy, which is related to the Ni 4s/Mg 3s states; the alloy bandgap obeys the conventional bandgap bowing model. The Ni1−xMgxO absorption spectra at low Mg contents are difficult to deconvolute because the electronic bands originating from the Ni-3d bands and the alloy conduction band overlap. The band structure described above elucidates the anomalous characteristics of the bandgap of Ni1–xMgxO, i.e., most of the optical bandgap values reported so far are smaller than the expected value corresponding to the transition from the valence band to the alloy conduction band because they were evaluated based on the absorption due to the O 2p-Ni 3d(eg) CT transition.
Minimum-domain impulse theory for unsteady aerodynamic force
Authors: Kang L. L. , Liu L. Q. , Su W. D. , Wu J. Z.
Published: January 2018

We extend the impulse theory for unsteady aerodynamics from its classic global form to finite-domain formulation then to minimum-domain form and from incompressible to compressible flows. For incompressible flow, the minimum-domain impulse theory raises the finding of Li and Lu [“Force and power of flapping plates in a fluid,” J. Fluid Mech. 712, 598–613 (2012)] to a theorem: The entire force with discrete wake is completely determined by only the time rate of impulse of those vortical structures still connecting to the body, along with the Lamb-vector integral thereof that captures the contribution of all the rest disconnected vortical structures. For compressible flows, we find that the global form in terms of the curl of momentum ∇ × (ρu), obtained by Huang [Unsteady Vortical Aerodynamics (Shanghai Jiaotong University Press, 1994)], can be generalized to having an arbitrary finite domain, but the formula is cumbersome and in general ∇ × (ρu) no longer has discrete structures and hence no minimum-domain theory exists. Nevertheless, as the measure of transverse process only, the unsteady field of vorticity ω or ρω may still have a discrete wake. This leads to a minimum-domain compressible vorticity-moment theory in terms of ρω (but it is beyond the classic concept of impulse). These new findings and applications have been confirmed by our numerical experiments. The results not only open an avenue to combine the theory with computation-experiment in wide applications but also reveal a physical truth that it is no longer necessary to account for all wake vortical structures in computing the force and moment.
Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetate
Authors: Brehm Martin , Sebastiani Daniel
Published: January 2018

To investigate the structure and dynamics of small ionic liquid droplets in gas phase, we performed a DFT-based ab initio molecular dynamics study of several 1-ethyl-3-methylimidazolium acetate clusters in vacuum as well as a bulk phase simulation. We introduce an unbiased criterion for average droplet diameter and density. By extrapolation of the droplet densities, we predict the experimental bulk phase density with a deviation of only a few percent. The hydrogen bond geometry between cations and anions is very similar in droplets and bulk, but the hydrogen bond dynamics is significantly slower in the droplets, becoming slower with increasing system size, with hydrogen bond lifetimes up to 2000 ps. From a normal mode analysis of the trajectories, we identify the modes of the ring proton C–H stretching, which are strongly affected by hydrogen bonding. From analyzing these, we find that the hydrogen bond becomes weaker with increasing system size. The cations possess an increased concentration inside the clusters, whereas the anions show an excess concentration on the outside. Almost all anions point towards the droplet center with their carboxylic groups. Ring stacking is found to be a very important structural motif in the droplets (as in the bulk), but side chain interactions are only of minor importance. By using Voronoi tessellation, we define the exposed droplet surface and find that it consists mainly of hydrogen atoms from the cation’s and anion’s methyl and ethyl groups. Polar atoms are rarely found on the surface, such that the droplets appear completely hydrophobic on the outside.
Elevated temperature dependence of the anisotropic visible-to-ultraviolet dielectric function of monoclinic β-Ga2O3
Authors: Mock A. , VanDerslice J. , Korlacki R. , Woollam J. A. , Schubert M.
Published: January 2018

We report on the temperature dependence of the dielectric tensor elements of n-type conductive β-Ga2O3 from 22 °C to 550 °C in the spectral range of 1.5 eV–6.4 eV. We present the temperature dependence of the excitonic and band-to-band transition energy parameters using a previously described eigendielectric summation approach [A. Mock et al., Phys. Rev. B 96, 245205 (2017)]. We utilize a Bose-Einstein analysis of the temperature dependence of the observed transition energies and reveal electron coupling with average phonon temperature in excellent agreement with the average over all longitudinal phonon plasmon coupled modes reported previously [M. Schubert et al., Phys. Rev. B 93, 125209 (2016)]. We also report a linear temperature dependence of the wavelength independent Cauchy expansion coefficient for the anisotropic below-band-gap monoclinic dielectric tensor elements.
A new 360° airfoil model for predicting airfoil thrust potential in vertical-axis wind turbine designs
Authors: Stringer D. Blake , Hartman Paul , Bunner Dakota W. , Fisch Michael R.
Published: January 2018

Vertical-axis wind turbine (VAWT) configurations expose the airfoil sections of turbine blades to angles of attack between 0° and 360°. In designing new VAWT configurations or improving existing configurations, some knowledge of the aerodynamic forces at these angles must be known. This paper presents a model for predicting 360° of aerodynamic forces acting on the s1210 airfoil at two low Reynolds-number conditions. This model is based upon results from wind-tunnel experimentation and achieves a close approximation of the measured performance of the airfoil. Models such as this provide the means to predict airfoil lift and drag characteristics and use those results to predict the thrust capabilities of the airfoil as the turbine blades rotate. The model is presented and compared with other post-stall models within the literature. These comparisons show that this model is superior to previous models when applied to the s1210. The model shows that two angles of attack regions between 0 and 30° and then again those between 180° and 300° provide the highest thrust contributions of the airfoil. Using models such as these for system-level analysis provides the means to assess the feasibility of different VAWT configurations. Furthermore, it provides the means to assess the proper spacing and distance between turbine blades to generate the desired thrust. This enables the designer to determine the optimum turbine geometry in order to maximize performance.
Properties of closed-shell superheavy element hydrides and halides using coupled-cluster method and density functional theory with spin-orbit coupling
Authors: Guo Minggang , Cao Zhanli , Wang Zhifan , Wang Fan
Published: January 2018

We report bond lengths, force constants, and dissociation energies for a series of closed-shell superheavy element monohydrides and halides at the singles and doubles level with perturbative triples (CCSD(T)) using recently developed relativistic effective core potentials in this work. CCSD(T) results with spin-orbit coupling (SOC) included in self-consistent field (SCF) calculations provide highly accurate estimates for properties of these molecules. Trends as well as SOC effects on properties of these molecules are presented. Performance of the coupled-cluster (CC) approach with SOC included in post-SCF calculations (SOC-CC) on these superheavy element molecules is evaluated. Our results show that SOC-CCSD results are in excellent agreement with those of KR-CCSD, while the error of SOC-CCSD(T) is larger, particularly for molecules containing element 114. Density functional theory results with various exchange-correlation (XC) functionals for these superheavy element molecules are also compared with those of CCSD(T). PBE0 is shown to be able to give rise to results that agree best with those of CCSD(T) in scalar-relativistic calculations among the investigated XC functionals. On the other hand, B97-3 is the best XC functional when SOC is considered in calculations.
Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods
Authors: Cheng Lan , Wang Fan , Stanton John F. , Gauss Jürgen
Published: January 2018

A scheme is reported for the perturbative calculation of spin-orbit coupling (SOC) within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e) in combination with the equation-of-motion coupled-cluster singles and doubles method. Benchmark calculations of the spin-orbit splittings in 2Π and 2P radicals show that the accurate inclusion of scalar-relativistic effects using the SFX2C-1e scheme extends the applicability of the perturbative treatment of SOC to molecules that contain heavy elements. The contributions from relaxation of the coupled-cluster amplitudes are shown to be relatively small; significant contributions from correlating the inner-core orbitals are observed in calculations involving third-row and heavier elements. The calculation of term energies for the low-lying electronic states of the PtH radical, which serves to exemplify heavy transition-metal containing systems, further demonstrates the quality that can be achieved with the pragmatic approach presented here.
Structures of the dehydrogenation products of methane activation by 5d transition metal cations revisited: Deuterium labeling and rotational contours
Authors: Owen Cameron J. , Boles Georgia C. , Chernyy Valeriy , Bakker Joost M. , Armentrout P. B.
Published: January 2018

A previous infrared multiple photon dissociation (IRMPD) action spectroscopy and density functional theory (DFT) study explored the structures of the [M,C,2H]+ products formed by dehydrogenation of methane by four, gas-phase 5d transition metal cations (M+ = Ta+, W+, Ir+, and Pt+). Complicating the analysis of these spectra for Ir and Pt was observation of an extra band in both spectra, not readily identified as a fundamental vibration. In an attempt to validate the assignment of these additional peaks, the present work examines the gas phase [M,C,2D]+ products of the same four metal ions formed by reaction with perdeuterated methane (CD4). As before, metal cations are formed in a laser ablation source and react with methane pulsed into a reaction channel downstream, and the resulting products are spectroscopically characterized through photofragmentation using the free-electron laser for intracavity experiments in the 350–1800 cm−1 range. Photofragmentation was monitored by the loss of D for [Ta,C,2D]+ and [W,C,2D]+ and of D2 in the case of [Pt,C,2D]+ and [Ir,C,2D]+. Comparison of the experimental spectra and DFT calculated spectra leads to structural assignments for all [M,C,2H/2D]+ systems that are consistent with previous identifications and allows a full description of the systematic spectroscopic shifts observed for deuterium labeling of these complexes, some of the smallest systems to be studied using IRMPD action spectroscopy. Further, full rotational contours are simulated for each vibrational band and explain several observations in the present spectra, such as doublet structures in several bands as well as the observed linewidths. The prominent extra bands in the [Pt,C,2D/2H]+ spectra appear to be most consistent with an overtone of the out-of-plane bending vibration of the metal carbene cation structure.