Miracle-dz/UniFAR-FTUs huggingface dataset:
X-Ray Supramolecular Structure, NMR Spectroscopy and Synthesis of 3-Methyl-1-phenyl-1H-chromeno[4,3-c]pyrazol-4-ones Formed by the Unexpected Cyclization of 3-[1-(Phenyl-hydrazono)ethyl]-chromen-2-ones

The molecular structures of nine 3-methyl-1-phenyl-1H-chromeno[4,3-c]pyrazol-4-one isomers, obtained by the oxidative cyclization of the corresponding 1-phenylhydrazono chromen-2-ones with copper acetate as catalyst, are reported. The molecular and supramolecular structures of the 8-chloro, 8-bromo- and 8-nitro isomers 2b-d, were established by X-ray diffraction. The halogenated isomers 2b and 2c are isomorphs, they crystallize as a triclinic system, space group P-1 with two molecules in the asymmetric unit. Compound 2d crystallizes as a monoclinic system, space group P21/m with two molecules in the unit cell. The 1-phenyl ring [Cg(4)] is almost perpendicularly positioned to the chromene-pyrazole ring system. This conformation is in agreement with the anisotropic NMR shielding effect exerted by the phenyl ring over H-9 in solution. The supramolecular architecture is almost controlled by C―H···A (A = O, π) and face to face π-stacking interactions. The observed π-stacking trend between chromene and pyrazole rings is given by the overlapping between the best donor and acceptor rings in each compound.
Essays in international portfolio choice and monetary policy

Empirical evidence shows that equity home bias is a prevailing fact for most countries, but standard international monetary business cycle models with nominal bonds hardly generate equity home bias for plausible preference parameter values. By incorporating inflation-indexed bonds, I show in chapter 2 that international monetary business cycle models can explain home bias in equities. Inflation-indexed bonds can hedge real exchange rate risk and domestic equities serve as a hedge against domestic labor income risk conditional on real exchange rates. Moreover, this chapter accounts for counter-cyclical movements of net foreign asset positions. These results are robust in environments either with complete markets or with incomplete markets. How does international financial market integration alter international risk sharing? Chapter 3 develops a tractable center-periphery model with portfolio choice to investigate this issue. I compare three stages of financial integration. The first stage is financial autarky. The second stage is the central country becomes financially integrated with peripheral countries, but there is no financial integration between peripheral countries. The third stage is all financial markets are integrated into each other. From financial autarky to partial financial integration, volatility of consumption in all countries drops. From partial financial integration to full financial integration, volatility of consumption in peripheral countries decreases; however, consumption volatility rises in the central country when the central country is relatively large. When peripheral countries are large, the degree of international risk-sharing for all countries increases in the process of financial integration. What’s the optimal monetary policy in an economy with financial frictions? Chapter 4 investigates optimal monetary policies in a dynamic stochastic general equilibrium model with sticky prices, sticky wages and creditmarket imperfections. Credit frictions distort allocations and prices, and generate large volatility of aggregate variables via the financial accelerator. Policy-makers can take advantage of a debt deflation channel to push down volatility of endogenous variables through the financial decelerator.
Detecting Recent Positive Selection with a Single Locus Test Bipartitioning the Coalescent Tree

Many population genomic studies have been conducted in the past to search for traces of recent events of positive selection. These traces, however, can be obscured by temporal variation of population size or other demographic factors. To reduce the confounding impact of demography, the coalescent tree topology has been used as an additional source of information for detecting recent positive selection in a population or a species. Based on the branching pattern at the root, we partition the hypothetical coalescent tree, inferred from a sequence sample, into two subtrees. The reasoning is that positive selection could impose a strong impact on branch length in one of the two subtrees while demography has the same effect on average on both subtrees. Thus, positive selection should be detectable by comparing statistics calculated for the two subtrees. Simulations demonstrate that the proposed test based on these principles has high power to detect recent positive selection even when DNA polymorphism data from only one locus is available, and that it is robust to the confounding effect of demography. One feature is that all components in the summary statistics (Du) can be computed analytically. Moreover, misinference of derived and ancestral alleles is seen to have only a limited effect on the test, and it therefore avoids a notorious problem when searching for traces of recent positive selection.
Development of In Situ Experiments for Evaluation of Anisotropic Reflectance Effect on Spectral Mixture Analysis for Vegetation Cover

Owing to its flexibility, spectral mixture analysis (SMA) based on the linear spectral mixing model (LSMM) is a useful tool for subpixel vegetation cover estimation. Multiple scattering and endmember spectral variability are the two reasons that produce errors in the LSMM-retrieved cover fraction estimates. Although the anisotropic reflectance properties are well documented, their effect has barely been investigated in the studies of subpixel vegetation cover estimation. This letter developed a series of controlled in situ experiments (using a checkerboard mixture design) to evaluate the anisotropic reflectance effect (ARE) on fractional vegetation cover estimation using SMA based on the LSMM. The results illustrate that ARE has a large impact on SMA for vegetation cover estimation, and the developed approach allowing for ARE produces more accurate estimates, as the value of root-mean-square error drops more than 50%. This letter may open a new perspective for using SMA to estimate vegetation cover by emphasizing the importance of integrating ARE and characterizing anisotropic reflectance properties of an endmember class as another source of intraclass variability that is likely to be ignored.
High-throughput sequencing of fungal communities across the perennial ice block of Scărișoara Ice Cave

ABSTRACT This survey presents the first high-throughput characterisation of fungal distribution based on ITS2 Illumina sequencing of uncultured microbiome from a 1500 years old perennial ice deposit in Scărișoara Ice Cave, Romania. Of the total of 1 751 957 ITS2 sequences, 64% corresponded to 182 fungal operational taxonomic units, showing a low diversity, particularly in older ice strata, and a distinct temporal distribution pattern. Ascomycota was the major phylum in all ice samples, dominating the 400 and 1500 years old ice strata deposited during the cold Little Ice Age (LIA) and Dark Ages Cold Period, while Basidiomycota was mostly present in 900-years old ice formed during the Medieval Warm Period (MWP). Chytridiomycota and Mucoromycota phyla were present in recently formed and 400-years old ice, respectively. Among the 80 identified genera, Cryptococcus victoriae, commonly found in glacial habitats, was identified in all strata. A positive correlation between fungal distribution and ice conductivity, Ca, Na and Sr concentrations was observed across the ice block, with pH values trailing climate variations during LIA and MWP, respectively. Our record highlighted the presence of a complex climate and environmental-driven fungal community in perennial ice strata accumulated during the last 1500 years in Scărișoara Ice Cave.
Hospitals Safety from Disasters in I.R.Iran: The Results from Assessment of 224 Hospitals

Background and objective: Iran’s hospitals have been considerably affected by disasters during last decade. To address this, health system of I.R. Iran has taken an initiative to assess disaster safety of the hospitals using an adopted version of Hospital Safety Index (HSI). This article presents the results of disaster safety assessment in 224 Iran’s hospitals. Methods: A self-assessment approach was applied to assess the disaster safety in 145 items categorized in 3 components including structural, non-structural and functional capacity. For each item, safety level was categorized to 3 levels: not safe (0), average safe (1) and high safe (2). A raw score was tallied for each safety component and its elements by a simple sum of all the corresponding scores. All scores were normalized on a 100 point scale. Hospitals were classified to three safety classes according to their normalized total score: low (≤34.0), average (34.01-66.0) and high (>66.0). Results: The average score of all safety components were 32.4 out of 100 (± 12.7 SD). 122 hospitals (54.5%) were classified as low safe and 102 hospitals (45.5%) were classified as average safe. No hospital was placed in the high safe category. Average safety scores out of 100 were 27.3 (±14.2 SD) for functional capacity, 36.0 (±13.9 SD) for non-structural component and 36.0 (±19.0 SD) for structural component. Neither the safety classes nor the scores of safety components were significantly associated with types of hospitals in terms of affiliation, function and size (P>0.05). Conclusions: To enhance the hospitals safety for disaster in Iran, we recommend: 1) establishment of a national committee for hospital safety in disasters; 2) supervision on implementation of the safety standards in construction of new hospitals; 3) enhancement of functional readiness and safety of non-structural components while structural retrofitting of the existing hospitals is being taken into consideration, whenever is cost-effective; 4) considering the disaster safety status as the criteria for licensing and accreditation of the hospitals. Key words: Hospital, safety, disaster, emergency, Iran Correspondence to: Ali Ardalan MD, PhD. Tehran University of Medical Sciences, Harvard Humanitarian Initiative, Email: aardalan@tums.ac. ir, ardalan@hsph.harvard. edu
Buckyball sandwiches

A two-dimensional petri dish of fullerenes in a graphene wrap allows electron microscopy observation of atomic-scale dynamics. Two-dimensional (2D) materials have considerably expanded the field of materials science in the past decade. Even more recently, various 2D materials have been assembled into vertical van der Waals heterostacks, and it has been proposed to combine them with other low-dimensional structures to create new materials with hybridized properties. We demonstrate the first direct images of a suspended 0D/2D heterostructure that incorporates C60 molecules between two graphene layers in a buckyball sandwich structure. We find clean and ordered C60 islands with thicknesses down to one molecule, shielded by the graphene layers from the microscope vacuum and partially protected from radiation damage during scanning transmission electron microscopy imaging. The sandwich structure serves as a 2D nanoscale reaction chamber, allowing the analysis of the structure of the molecules and their dynamics at atomic resolution.
AN ACUTE OCULAR INFLAMMATORY REACTION INDUCED BY INTRAVITREAL BOVINE SERUM ALBUMIN IN PRESENSITIZED RABBITS: THE EFFECT OF PHENTOLAMINE

An acute inflammatory reaction in the uvea was challenged by an intravitreal injection of bovine serum albumin (BSA) in presensitized rabbits. During the observation time of 3 h, intraocular pressure (IOP) increased, anterior uveal blood vessels were dilated, miosis was produced, and as a sign of the breakdown of the blood aqueous barrier, protein content in the aqueous humour was increased. In the contralateral eye, the reaction consisted of an increase in IOP and a disruption of the blood aqueous barrier. As an evidence of the immunological mehcanism of this acute reaction, presensitized animals intravitreally injected with saline or unimmunized rabbits which were injected with BSA showed no significant changes in IOP, pupillary diameter or protein content in aqueous humour. Phentolamine significantly reduced protein leakage into the anterior chamber of the experimental eye. It also significantly inhibited the increase in IOP and protein leakage in the contralateral eye. The present findings demonstrate that a hypertensive inflammatory phase is present in the acute experimenal uveitis. The mechanisms of the reaction and the mode of action of phentolamine are discussed.
Performance of an automated segmentation algorithm for 3D MR renography

The accuracy and precision of an automated graph‐cuts (GC) segmentation technique for dynamic contrast‐enhanced (DCE) 3D MR renography (MRR) was analyzed using 18 simulated and 22 clinical datasets. For clinical data, the error was 7.2 ± 6.1 cm3 for the cortex and 6.5 ± 4.6 cm3 for the medulla. The precision of segmentation was 7.1 ± 4.2 cm3 for the cortex and 7.2 ± 2.4 cm3 for the medulla. Compartmental modeling of kidney function in 22 kidneys yielded a renal plasma flow (RPF) error of 7.5% ± 4.5% and single‐kidney GFR error of 13.5% ± 8.8%. The precision was 9.7% ± 6.4% for RPF and 14.8% ± 11.9% for GFR. It took 21 min to segment one kidney using GC, compared to 2.5 hr for manual segmentation. The accuracy and precision in RPF and GFR appear acceptable for clinical use. With expedited image processing, DCE 3D MRR has the potential to expand our knowledge of renal function in individual kidneys and to help diagnose renal insufficiency in a safe and noninvasive manner. Magn Reson Med 57:1159–1167, 2007. © 2007 Wiley‐Liss, Inc.
An Escalation for Bivariate Binary Endpoints Controlling the Risk of Overtoxicity (EBE-CRO): Managing Efficacy and Toxicity in Early Oncology Clinical Trials

ABSTRACT For about a decade, early clinical development in oncology is facing new challenges. This is due to two main reasons. The first one is linked to the developed molecular targeted agents (MTA) themselves for which the maximum tolerated dose (MTD) is no longer the only dose of interest. The second reason is related to the fact that costs and attrition rates are huge. When selecting a dose, evidence of early activity signal becomes required for future engagements. This implies the need to handle both toxicity and activity endpoints in the analysis and also in the dose escalation design of early-phase trials. We propose a model-based design taking into account both safety and activity for dose escalation. The proposed model involves a bivariate Gaussian latent variable depending on a monotonic toxicity curve and a quadratic activity curve. This model is fitted under the Bayesian framework that allows the incorporation of prior information. The predictive distributions of dose-response curves are used to lead the dose recommendation. Uncertainty in the dose–response relationship is taken into account to calculate the probability of being an over-toxic or a target dose. The proposed design is compared to two other widely used methods.
Reinforcing unevenness: post-crisis geography and the spatial selectivity of the state

This paper considers the unevenness of the 2007–08 crisis by examining the literature of England's North–South divide. From the 1980s this longstanding divide was exacerbated as a result of promoting London as a global financial hub, so when the crisis hit many expected some regional economic convergence as redundancies spread throughout the financial sector. This has, however, not taken place and previous patterns of uneven development have rather been reinforced. Attempts have been made to explain this deepening of established geographical patterns as the result of different regions’ degrees of economic resilience, but this approach is, however, problematic because it naturalizes crises, downscales responsibility and neglects politics. Inspired by Martin Jones’s concept of the ‘spatial selectivity of the state’, the paper will rather argue that to understand the uneven geography of the economic crisis, one has to look beyond localized resilience to how the state’s austerity policies have displaced the crisis’s impacts away from its origins in a London-centred financial sector.
Fluorine NMR

Current synthetic methods make possible the production of fluorine-containing analogs of amino acids, nucleosides, lipids and sugars, as well as a wide variety of molecules that are important drugs and agricultural chemicals. Fluorine-19, at 100% natural abundance, is a spin nucleus. The technology for obtaining fluorine NMR spectra is virtually the same as that involved in getting proton NMR data. However, because a fluorine nucleus in molecules is on average surrounded by 9 electrons, rather than a single electron as is the case with hydrogen, the range of fluorine chemical shifts and the sensitivity of fluorine chemical shifts to the details of the local environment are much higher for fluorine than hydrogen. For example, a protein in which all tryptophan residues have been replaced by a fluorinated tryptophan analog will typically exhibit a resolved signal in its fluorine NMR spectrum for each tryptophan position of the sequence, while the proton spectrum of the same tryptophan residues in the native protein will be appreciably overlapped. Similarly, formation of a complex between a fluorinated small molecule and a receptor is often accompanied by an appreciable change in the chemical shift of the fluorine. Fluorine spins relax by dipole-dipole interactions with the proton spins that surround them and because of the anisotropy of the fluorine chemical shift. The dipolar interactions can lead to F{H} and H{F} nuclear Overhauser effects that provide information about internuclear distances in the same ways that H{H} NOEs lead to such data. Analysis of fluorine relaxation can also produce quantitative estimates of mobility. Like other NMR experiments, fluorine NMR experiments are sensitive to the rates of processes which interchange the environments of the observed spins and can produce quantitative data about rates of processes such as conformational change and ligand exchange. Some examples chosen from the recent literature demonstrate the abilities of fluorine NMR experiments to provide data about ligand binding, unfolding, mobility, and other aspects of biological systems.
tert-Butyl N-[1-diazoacetyl-3-(methylsulfanyl)propyl]carbamate

In the enantiomerically pure title compound, C11H19N3O3S, the chain C—N—C(O)—O—C—C (from the asymmetric carbon to a methyl of the tert-butyl group) displays an extended conformation. In the crystal, molecules are linked into chains parallel to the c axis by classical N—H⋯Odiazocarbonyl hydrogen bonding and an unusual intermolecular three-centre interaction involving the amino acid (aa) carbonyl Oaa and the diazocarbonyl grouping C(O)—CH—N N, with H⋯Oaa = 2.51 Å and N⋯Oaa = 2.8141 (14) Å.
AN EXPERIMENT TESTING THE BEHAVIORAL EQUIVALENCE OF STRATEGICALLY EQUIVALENT EMPLOYMENT CONTRACTS

The fact that people tend to react strategically to the firm's managerial accounting system has long been recognized. For example, one long acknowledged weakness of using a firm's operations budgeting system for performance evaluation is that much of the information upon which the individual's performance will subsequently be judged is reported by that individual. The individual whose performance is being evaluated may therefore have an incentive to supply biased information. This strategic communication of information within the firm's managerial accounting system has recently been formally analyzed using the principal-agent model (Baiman and Evans [1983], Christensen [1981], Penno [1984], and Melumad and Reichelstein [1987]). Whether the agency model is rich enough to provide useful insights into the interaction between agents' strategic communication and the design of the firm's managerial accounting system is, however, open to
Efficient Policy Rule for Inflation Targeting in Colombia

Utilizando un modelo macroeconomico de pequena escala para la economia colombiana, se investiga el problema de seleccionar una regla de politica simple; una regla que utilice un conjunto reducido de informacion, que sea consistente con un regimen de inflacion objetivo. A pesar de que las reglas de politica simples no son tan eficientes como lo serian las reglas de politica optimas, en la literatura se ha mostrado que algunas reglas simples pueden aproximarlas muy bien. Se explican las caracteristicas de los parametros de reaccion y de producto en reglas simples de Taylor e IFB, asi como el horizonte optimo de pronostico para inflacion objetivo. Mediante el uso de simulaciones estocasticas del modelo se encuentra que, como se esperaba, las reglas simples que utilizan proyecciones de la inflacion en lugar de la inflacion contemporanea tienen mejores propiedades de estabilizacion.
Toward EEG-Based Biometric Systems: The Great Potential of Brain-Wave-Based Biometrics

Recognition of individuals based on their unique physiological or behavioral characteristics, called biometric identification or authentication, has received much attention by researchers during the last decade. Among the existing biometric traits, brain signaling has emerged as a powerful candidate due to its highly unique nature, which makes it impossible to steal or mimic. Electroencephalography (EEG), a popular, noninvasive method used for recording brain activity, has recently been identified as an efficient technique to develop biometric systems due to its simplicity, portability, and relatively low cost in comparison to other noninvasive brain signal acquisition models. EEG signals are captured during a relaxed rest state from an individual whose eyes can be closed or open and who can also experience active response states. These signals have been reported to be robust carriers of unique personality traits.
Mineral nutrient stoichiometric variability in Hedera helix (Araliaceae) seeds.

BACKGROUND AND AIMS The analysis of variability in mineral allocation to seeds has rarely been considered in relation to allometric patterns and deviations from the allometric trajectory. Here, I examine the scaling of carbon (C), nitrogen (N), phosphorus (P) and sulfur (S) with seed mass in field-collected seeds of Hedera helix, taking into account that brood size might influence the allocation patterns. METHODS C, N and S contents of 56 individual seeds of different sizes were analysed by combustion using a standard automated CNHS procedure. P content was determined for 200 individual seeds using spectrophotometry after acid digestion of ashed samples. This sample included seeds from different brood sizes. KEY RESULTS C and N content both varied isometrically with seed mass and this variable explained most of the variation in their content in seeds. P and S, however, varied allometrically with seed mass. Additionally, seed mass only explained 37·3 % and 37·6 % of the total variance in P and S content, respectively. Seeds with higher mass contained proportionately more P and, furthermore, the seeds from small broods contained proportionally more P than those from large broods. CONCLUSIONS Although seed mass in this species can be used as a surrogate of investment in C and N, it does not account for variability in allocation of nutrients such as P and S. The fact that larger seeds increased their P concentration when found in smaller broods might be a consequence of intense competition for this nutrient among developing seeds. Then, brood size may influence the mineral nutrient concentration of seeds.