cssi/SciSciGPT-SciSciNet huggingface dataset:
Comparison of the reactivity of alkyl and alkyl amine precursors with native oxide GaAs(100) and InAs(100) surfaces

Abstract In this manuscript we compare the interaction of alkyl (trimethyl aluminum) and alkyl amine (tetrakis dimethylamino titanium) precursors during thermal atomic layer deposition with III-V native oxides. For that purpose we deposit Al2O3 and TiO2, using H2O as the oxidizer, on GaAs(100) and InAs(100) native oxide surfaces. We find that there are distinct differences in the behavior of the two films. For the Al2O3 ALD very little native oxide removal happens after the first few ALD cycles while the interaction of the alkyl amine precursor for TiO2 and the native oxides continues well after the surface has been covered with 2 nm of TiO2. This difference is traced to the superior properties of Al2O3 as a diffusion barrier. Differences are also found in the behavior of the arsenic oxides of the InAs and GaAs substrates. The arsenic oxides from the InAs surface are found to mix more efficiently in the growing dielectric film than those from the GaAs surface. This difference is attributed to lower native oxide stability as well as an initial diffusion path formation by the indium oxides.
On information theoretic games for interference networks

The Nash equilibrium region for a 2-user game was defined and characterized first for a linear deterministic channel and then for a Gaussian channel. Challanges in extending this understanding to some special K-user cases have also been explored. In this paper, we study two indices which compare the performance (sum-rate) of the ‘best’ and the ‘worst’ Nash equilibria to the optimum (sum-capacity) and reflect the ‘price of stability’ and the ‘price of anarchy’, respectively. These indices are evaluated for the 2-user and some special K-user linear deterministic interference channels. We further investigate the impact on these indices of changing the payoff functions of each user to include a cost of transmission.
Thyroid cancer: Overdiagnosis of papillary carcinoma - who benefits?

Thyroid cancer overdiagnosis is a worldwide phenomenon. Nowhere else in the world is the incidence of thyroid cancer growing faster than in South Korea, but what are the drivers, consequences and response to this threat — in short, who benefits from thyroid cancer diagnosis?
Dynamic Changes in Complement Component 3 in the Presence of the Lectin-Like Domain of Thrombomodulin

Component C3 is at the junction of three different complement activation pathways (classical, lectin, and alternative). Activation to C3b is a key step in the innate immune response that allows for the formation of important multi-protein complexes that ultimately participate in pathogen clearance. When misregulated, however, complement can lead to inflammatory disease and autoimmune disorders. Several regulatory proteins for C3b are known, but the molecular details of interactions between these proteins have not yet been elucidated. Thrombomodulin (TM), and specifically its N-terminal lectin-like domain (TMD1), has been identified as a possible regulator of complement through interactions with C3 or C3b. We have used fluorescence-based assays and hydrogen/deuterium exchange mass spectrometry (HDXMS) to study the interaction of TMD1 with C3 and C3b. We have found that TMD1 interacts with C3b, and there is a lesser interaction with C3. TMD1 tends to make C3b more accessible to deuterium exchange, while C3 tends to be less accessible to deuterium exchange in the presence of TMD1. This difference suggests a possible role for TMD1 in regulating a key step along the complement pathway.
Non-Abelian fermionization and fractional quantum Hall transitions

There has been a recent surge of interest in dualities relating theories of Chern-Simons gauge fields coupled to either bosons or fermions within the condensed matter community, particularly in the context of topological insulators and the half-filled Landau level. Here, we study the application of one such duality to the long-standing problem of quantum Hall interplateaux transitions. The key motivating experimental observations are the anomalously large value of the correlation length exponent $\ensuremath{\nu}\ensuremath{\approx}2.3$ and that $\ensuremath{\nu}$ is observed to be superuniversal, i.e., the same in the vicinity of distinct critical points [Sondhi et al., Rev. Mod. Phys. 69, 315 (1997)]. Duality motivates effective descriptions for a fractional quantum Hall plateau transition involving a Chern-Simons field with $\mathrm{U}({N}_{c})$ gauge group coupled to ${N}_{f}=1$ fermion. We study one class of theories in a controlled limit where ${N}_{f}\ensuremath{\gg}{N}_{c}$ and calculate $\ensuremath{\nu}$ to leading nontrivial order in the absence of disorder. Although these theories do not yield an anomalously large exponent $\ensuremath{\nu}$ within the large ${N}_{f}\ensuremath{\gg}{N}_{c}$ expansion, they do offer a new parameter space of theories that is apparently different from prior works involving Abelian Chern-Simons gauge fields [Wen and Wu, Phys. Rev. Lett. 70, 1501 (1993); Chen et al., Phys. Rev. B 48, 13749 (1993)].
Dual Coding Theory Explains Biphasic Collective Computation in Neural Decision-Making.

A central question in cognitive neuroscience is how unitary, coherent decisions at the whole organism level can arise from the distributed behavior of a large population of neurons with only partially overlapping information. We address this issue by studying neural spiking behavior recorded from a multielectrode array with 169 channels during a visual motion direction discrimination task. It is well known that in this task there are two distinct phases in neural spiking behavior. Here we show Phase I is a distributed or incompressible phase in which uncertainty about the decision is substantially reduced by pooling information from many cells. Phase II is a redundant or compressible phase in which numerous single cells contain all the information present at the population level in Phase I, such that the firing behavior of a single cell is enough to predict the subject's decision. Using an empirically grounded dynamical modeling framework, we show that in Phase I large cell populations with low redundancy produce a slow timescale of information aggregation through critical slowing down near a symmetry-breaking transition. Our model indicates that increasing collective amplification in Phase II leads naturally to a faster timescale of information pooling and consensus formation. Based on our results and others in the literature, we propose that a general feature of collective computation is a `coding duality' in which there are accumulation and consensus formation processes distinguished by different timescales.
Oral fluid therapy of cholera among Bangladesh refugees[1]

1This work was supported by National Institutes of Health Grant No. 2R07AIl0048-11 ICC (Washington) and by a special grant from the Christian Agency for Social Action, World Council of Churches (Geneva). The Johns Hopkins University Center for Medical Research and Training Calcutta, India Reprint requests to Dr. Simpson, Department of Pathobiology, The Johns Hopkins University School of Hygiene and Public Health, 615 North Wolfe Street, Baltimore, Md., 21205
Generalized Doppler and aberration kernel for frequency-dependent cosmological observables

We introduce a frequency-dependent Doppler and aberration transformation kernel for the harmonic multipoles of a general cosmological observable with spin weight $s$, Doppler weight $d$ and arbitrary frequency spectrum. In the context of cosmic microwave background (CMB) studies, the frequency-dependent formalism allows to correct for the motion-induced aberration and Doppler effects on individual frequency maps with different masks. It also permits to deboost background radiations with non-blackbody frequency spectra, like extragalactic foregrounds and CMB spectra with primordial spectral distortions. The formalism can also be used to correct individual E and B polarization modes and account for motion-induced E/B mixing of polarized observables with $d\ensuremath{\ne}1$ at different frequencies. We apply the generalized aberration kernel on polarized and unpolarized specific intensity at 100 and 217 GHz and show that the motion-induced effects typically increase with the frequency of observation. In all-sky CMB experiments, the frequency-dependence of the motion-induced effects for a blackbody spectrum are overall negligible. However in a cut-sky analysis, ignoring the frequency dependence can lead to percent level error in the polarized and unpolarized power spectra over all angular scales. In the specific cut-sky used in our analysis ($bg45\ifmmode^\circ\else\textdegree\fi{},{f}_{\mathrm{sky}}\ensuremath{\simeq}14%$), and for the dipole-inferred velocity $\ensuremath{\beta}=0.00123$ typically attributed to our peculiar motion, the Doppler and aberration effects can change polarized and unpolarized power spectra of specific intensity in the CMB rest frame by $1--2%$, but we find the polarization cross-leakage between E and B modes to be negligible.
Do Arthroscopic Fluid Pumps Display True Surgical Site Pressure During Hip Arthroscopy

Purpose To report on the accuracy of 5 commercially available arthroscopic fluid pumps to measure fluid pressure at the surgical site during hip arthroscopy. Methods Patients undergoing hip arthroscopy for femoroacetabular impingement were block randomized to the use of 1 of 5 arthroscopic fluid pumps. A spinal needle inserted into the operative field was used to measure surgical site pressure. Displayed pump pressures and surgical site pressures were recorded at 30-second intervals for the duration of the case. Mean differences between displayed pump pressures and surgical site pressures were obtained for each pump group. Results Of the 5 pumps studied, 3 (Crossflow, 24K, and Continuous Wave III) reflected the operative field fluid pressure within 11 mm Hg of the pressure readout. In contrast, 2 of the 5 pumps (Double Pump RF and FMS/DUO+) showed a difference of greater than 59 mm Hg between the operative field fluid pressure and the pressure readout. Conclusions Joint-calibrated pumps more closely reflect true surgical site pressure than gravity-equivalent pumps. With a basic understanding of pump design, either type of pump can be used safely and efficiently. The risk of unfamiliarity with these differences is, on one end, the possibility of pump underperformance and, on the other, potentially dangerously high operating pressures. Level of Evidence Level II, prospective block-randomized study.
Hemoconcentration induced by surface hypothermia in infants

The effects of surface hypothermia (25° C) on arterial hematocrit value (by microcentrifuge) and plasma protein concentration (by refractometry) were studied in infants undergoing surface cooling for cardiac operations. To analyze in detail the mechanisms leading to the observed changes in patients, we performed parallel studies on normal dogs and permanently splenectomized dogs. In these dogs, measurements were also made of plasma volume (by 125I-albumin) and red cell volume (by 31Cr-erythrocytes). Arterial hematocrit value increased progressively during surface cooling in infants. Assuming that red cell volume remained constant and that the ratio of whole body red cell percentage to arterial hematocrit value increased during surface cooling in infants as in splenectomized dogs, we estimated percent changes in plasma volume in infants from arterial hematocrit data. The computed plasma volume decreased progressively as the body temperature was decreased. Since plasma protein concentration remained constant, the loss of plasma volume suggested a sequestration of whole plasma in portions of the circulatory bed and/or an extravasation of whole plasma into the interstitial space.
RIGHT VENTRICLE DYSFUNCTION PREDICTS CARDIOGENIC SHOCK IN PATIENTS WITH ACUTE CORONARY SYNDROME

Cardiogenic shock (CS) following acute coronary syndrome (ACS) is associated with high in-hospital mortality. The currently available instruments remain inadequately sensitive in identifying patients presenting with ACS who are at risk of developing CS Using the national cardiovascular database
A 160Tb(III) Probe of the Calcium Binding Sites of Muscle Calcium Binding Parvalbumin

A flow dialysis apparatus has been constructed which is suitable for the study of proteins which bind metal ions tightly (e.g., pKd>6). In the present experiments, muscle calcium binding parvalbumin was labelled with radioactive terbium-160, and dialyzed against buffer containing various competing metal cations. The rate of terbium-160 exchange was followed with a Nal(Tl) ϒ-ray scintillation detector. The following order of decreasing rates of terbium-160 exchange were observed: Tb(III)>Yb(III)>Gd(III)>La(III)>Cd(II)>Ca(II)>Mg(II)>Ba(II)>Sr(II)>Ni(II)>Co(II)>Zn(II).
Utilizing Team Member Expertise Under Pressure

Pressure intensifies on a strategy consulting team as they deliver a critical project, and the team manager faces a dilemma about her changing role on the team. Although she had been the key decision-maker in the early weeks of the project, Julia Narino now finds that her team increasingly discounts her deep client expertise while deferring to the senior partner’s more generalized contributions. Trouble arises because the client expects the team to deliver a highly customized solution that absolutely requires Julia’s expertise. This case presents an opportunity for students to analyze two prevailing aspects of organizational life: working in teams and working under pressure. This case also offers a platform for instructors to introduce the concept of threat rigidity to the class and explore some of the team behaviors that result from this condition.
Self-Configuring, Self-Organizing, and Self-Healing Schemes in Mobile Ad Hoc Networks

The evolution of technology, the expansion of the Internet, and the tendency of systems to become more software-dependent make computing environments and networks more complicated and less humanly controlled. In this chapter, we consider the problem of organizing a set of mobile nodes, with unique IDs, that communicate through a wireless medium, into a connected network, in order to obtain a self-configuring or self-organizing network. Additionally, we address the issue of how a reliable structure, once acquired by self-configuring, can be maintained when topological changes occur, due to node failure, node motion, or link failure, in order to obtain a self-healing network. We discuss these concepts and present a brief history of self-configuring or self-healing algorithms, respectively, for wireless mobile networks. We detail a number of representative algorithms used in practice. We then go on to address the current theoretical results on self-configuring networks for which we propose directions for future research.
Leaf Growth and Differentiation

Leaves are among the most specialized of all plant organs, devoting most of their activity to the production of ribulose-l,5-bisphosphate carboxylase-oxygenase (RuBISCO). This key protein is mentioned here to introduce the chapter on leaves not only because of its importance as a primary enzyme for carbon fixation in the initial reaction of photosynthesis, but also to emphasize that all of the, structural and developmental adaptations of leaves are geared to maximize the production of RuBISCO.
A GIS and Remote Sensing Based Analysis of Impervious Surface Influences on Bald Eagle (Haliaeetus leucocephalus) Nest Presence in the Virginia Portion of the Chesapeake Bay

A GIs AND REMOTE SENSING BASED ANALYSIS OF IMPERVIOUS SURFACE INFLUENCES ON BALD EAGLE (HALIAEETUS LEUCOCEPHALUS) NEST PRESENCE IN THE VIRGINIA PORTION OF THE CHESAPEAKE BAY By Jennifer Ciminelli, M.S. A Thesis submitted in partial fulfillment of the requirements for the degree of Master of Science, Environmental Studies at Virginia Commonwealth University. Virginia Commonwealth University, 2006 Major Professor: Dr. Gregory C. Garman, Ph.D. Director, Center for Environmental Studies GIs (Geographic Information Systems) and remote sensing techniques were used to predict relationships between bald eagle nest presences and land type, distance to land type and impervious surface cover area. Data plots revealed bald eagle nest presence decreases in response to an increase in area of bareland; increases with an increase in area of forested land; decreases with an increase in distance (m) to shoreline, and decreases in response to an increase in area of impervious surfaces. Logistic regression models identified impervious surfaces as an indicator for bald eagle nest
Mathematical misunderstandings : qualitative reasoning about quantitative problems

Summary In this chapter, we summarize a research program on students' misunderstandings of mathematical story problems. A mathematical misunderstanding occurs when the problem solver constructs a mental model of the problem situation that conflicts with the information in the problem statement. In particular, we examine difficulties that students have in reasoning about problems containing relational statements, such as “Gas at Chevron is 5 cents more per gallon than gas at ARCO.” We report a series of studies in which relational statements cause systematic errors in the recall of story problems, in the pattern of solution errors, in the pattern of solution times, in students' eye fixations, and in the effectiveness of remediation training. This research supports the idea that instruction in mathematical problem solving should focus on the development of qualitative reasoning skills–such as how to build a mental model of the problem situation–in addition to quantitative reasoning skills–such as executing computational procedures.
Differentially Private Robust Low-Rank Approximation

In this paper, we study the following robust low-rank matrix approximation problem: given a matrix $A \in \R^{n \times d}$, find a rank-$k$ matrix $B$, while satisfying differential privacy, such that $ \norm{ A - B }_p \leq \alpha \mathsf{OPT}_k(A) + \tau,$ where $\norm{ M }_p$ is the entry-wise $\ell_p$-norm and $\mathsf{OPT}_k(A):=\min_{\mathsf{rank}(X) \leq k} \norm{ A - X}_p$. It is well known that low-rank approximation w.r.t. entrywise $\ell_p$-norm, for $p \in [1,2)$, yields robustness to gross outliers in the data. We propose an algorithm that guarantees $\alpha=\widetilde{O}(k^2), \tau=\widetilde{O}(k^2(n+kd)/\varepsilon)$, runs in $\widetilde O((n+d)\poly~k)$ time and uses $O(k(n+d)\log k)$ space. We study extensions to the streaming setting where entries of the matrix arrive in an arbitrary order and output is produced at the very end or continually. We also study the related problem of differentially private robust principal component analysis (PCA), wherein we return a rank-$k$ projection matrix $\Pi$ such that $\norm{ A - A \Pi }_p \leq \alpha \mathsf{OPT}_k(A) + \tau.$
Dietary Restrictions and Nutrition in the Prevention and Treatment of Cardiovascular Disease

Cardiovascular disease (CVD) is the leading cause of death in many developed countries and remains one of the major diseases strongly affected by the diet. Nutrition can affect CVD directly by contributing to the accumulation of vascular plaques and also indirectly by regulating the rate of aging. This review summarizes research on nutrition and CVD incidence based on a multipillar system that includes basic research focused on aging, epidemiological studies, clinical studies, and studies of centenarians. The relevant research linking nutrition and CVD with focus on macronutrients and aging will be highlighted. We will review some of the most relevant studies on nutrition and CVD treatment, also focusing on interventions known to delay aging. We will discuss both everyday dietary compositions, as well as intermittent and periodic fasting interventions with the potential to prevent and treat CVD.
Hydrochlorothiazide-induced photosensitivity in a psoriasis patient following exposure to narrow-band ultraviolet B excimer therapy.

Drug-induced photosensitivity develops when the use of oral or topical photosensitizing medications creates a rash after exposure to ultraviolet (UV) radiation. Medications most commonly implicated in photosensitive drug reactions include amiodarone, nonsteroidal anti-inflammatories, thiazides, tetracycline antibiotics, chlorpromazine, and fluoroquinolones. It is generally believed that drug-induced photosensitivity is an UVA phenomenon, caused by UV wavelengths between 315 and 400 nm. Here, we present a case of hydrochlorothiazide (HCTZ)-induced photosensitivity following exposure to 308-nm narrow-band (nb) UVB light emitted from an excimer laser in a patient undergoing treatment for plaque psoriasis. This patient had received biweekly treatments with the excimer laser for years prior without any history of adverse reactions. We believe that our patient suffered an acute photosensitivity to UVB due to new-onset HCTZ. Because nb UVB-emitting lasers are used to treat many dermatologic conditions, physicians should be aware of potential photosensitivity reactions, review medication lists and counsel patients accordingly.
Enhanced disinfection of bacterial populations by nutrient and antibiotic challenge timing

Abstract Several difficult to treat illnesses like tuberculosis, chronic pneumonia, and inner ear infections are caused by tolerant bacteria enmeshed in a biofilm. Bacterial tolerance can be genotypic (resistance-i.e. MRSA), phenotypic (non-heritable) or environmental (e.g. nutrient gradients). Persister formation is a phenotypic expression and this phenotype is highly tolerant of disinfection. Constant dosing is typically ineffective and to generate an effective treatment protocol, we need to understand the dynamics of persister cells. In this study, we investigate how manipulating the application of antibiotics and addition of nutrients enhances the disinfection of a bacterial population in batch culture. Eliminating persister bacteria is considered as a challenge for the food industry or wastewater treatment, since the failure may result in food contamination and disease transmission. Previous studies focused on the antimicrobial agent as a control variable to eliminate the bacterial population. In addition to antibiotic, we consider the significance of the nutrient in eradicating the susceptible and persister cells since the disinfection of susceptible population depends on the nutrient intake. We present a mathematical model that captures the dynamics between susceptible and persister bacteria with antibiotic and nutrient control variables. We investigate the optimal dose-withdrawal of antibiotic timing in several cases including constant nutrient in time, dynamic nutrient in time and piecewise constant nutrient in time.
Estimation of (co)variance components and genetic parameters for litters per sow per year and pigs weaned per sow per year

Increasing the number of pigs weaned per sow per year is an economically important goal for pig producers. This study was conducted to estimate (co)variance components and genetic parameters of pigs weaned per sow per year (PWSY) and litters per sow per year (LSY), and then determine the possibility of direct selection for improving both traits. Data analyzed were from 11,283 sows from three herd groups, which included 1,925 sows from a purebred herd in Thailand, and 9,358 sows from two purebred/crossbred herd groups in the United States over a time period ending in March 2007. The distribution of both traits was considered to be normally distributed, based on the shape of the normal curve of each trait in each herd group. The (co)variance components, heritabilities, and genetic correlations for each trait were estimated using Restricted Maximum Likelihood (REML) bivariate animal model analysis. The animal model for LSY and PWSY contained fixed effects for breed, parity, and year-month of farrowing (contemporary group). Estimates of heritability (h) for LSY were low and quite similar, with the values between 0.09 and 0.18 across the three herd groups. The heritability estimates (h) for PWSY were low to moderate around 20 percent across the three herd groups. The estimated genetic correlation of LSY with PWSY was high and favorable, ranging from 0.45 to 0.70 across purebred and crossbred herds. The opportunity to make permanent genetic improvement by including LSY and PWSY in the selection program appears to be possible because the heritability of LSY and PWSY was low to moderate, and genetic correlation between two traits was favorable. Therefore, selection for genetic improvement in LSY or PWSY appears possible and should complement each other.
Abstract P121: A Novel Delivery of Alpha-Calcitonin Gene Related Peptide (α-CGRP) Using Alginate Microcapsules Protects Against Pressure-Overload Induced Heart Failure

The cardioprotective role of α-calcitonin gene related peptide (α-CGRP), a 37-amino acid neuropeptide and potent vasodilator, in cardiac diseases has been established by our laboratory and others. ...
Romantic comedy and the virtues of predictability

While cinematic narratives are often evaluated and enjoyed in terms of their ability to captivate through suspense and revelation, in this essay, I mount a defense of narrative predictability. I ta...
ENDOGENOUS ASPERGILLUS ENDOPHTHALMITIS IN AN IMMUNOCOMPETENT PATIENT WITH A REMOTE HISTORY OF PULMONARY TUBERCULOSIS.

Purpose To report a case of Aspergillus fumigatus endogenous endophthalmitis in an immunocompetent patient initially diagnosed as acute retinal necrosis. Methods Case report. Patient A 67-year-old woman with a remote history of treated pulmonary tuberculosis and no ocular history presented to an outside retina specialist with a sudden onset of floaters and blurred vision in one eye. Examination and fluorescein angiography at the time revealed findings suspicious for acute retinal necrosis, and the patient was started on oral valganciclovir and an intravitreal injection of ganciclovir. Despite treatment, the patient's vision and pain worsened. After evaluation at the University of Southern California Roski Eye Institute, she was diagnosed with a likely fungal endogenous endophthalmitis based on ultrasound findings and underwent emergent vitrectomy. A chest x-ray demonstrated partial collapse of the right upper lobe with hilar enlargement. Results Aspergillus fumigatus was cultured from vitreous, blood, and bronchoalveolar lavage samples, suggesting that the patient's infection had a pulmonary origin, most likely from the right upper lobe that had healed from previous tuberculosis infection. Discussion To the best of our knowledge, this is the first reported case of Aspergillus endogenous endophthalmitis in an immunocompetent patient secondary to pulmonary changes that occurred from previously treated tuberculosis.
Sensory Nudges: The Influences of Environmental Contexts on Consumers' Sensory Perception, Emotional Responses, and Behaviors toward Foods and Beverages.

Food products with highly acceptable flavors are not always successful in the marketplace. Sales of identical food products sold in two different stores often differ. Patrons’ choices of specific menu items vary depending on menu designs at restaurants. Such examples suggest that consumer behavior related to eating, preparing, or purchasing foods and beverages is typically complex, dynamic, and sensitive. There is a growing body of evidence that environmental cues surrounding foods and beverages can modulate consumer perception and behavior in the context of eating and drinking. In light of increasing interest in environmental cues, this Special Issue was designed to introduce recent research that highlights how sensory cues derived from environmental cues can modulate consumer perceptions, emotional responses, and behavior related to foods and beverages. The eleven articles addressed in this Special Issue provide informative and insightful findings that may be applied to a wide range of food-related sites, including grocery stores, retail markets, restaurants, dining facilities, and public dining areas. The findings from these articles also suggest that product developers, sensory professionals, retailers, marketers, and business owners should consider not only sensory aspects of food products, but also sensory cues derived from surrounding contexts to better understand consumer perception, acceptability, and behavior toward their food products.
Systematic and quantitative comparison of lattice and Gaussian light-sheets

The axial resolving power of a light-sheet microscope is determined by the thickness of the illumination beam and the numerical aperture of its detection optics. Bessel-beam based optical lattices have generated significant interest owing to their reportedly narrow beam waist and propagation-invariant characteristics. Yet, despite their significant use in lattice light-sheet microscopy and recent incorporation into commercialized systems, there are very few quantitative reports on their physical properties and how they compare to standard Gaussian illumination beams. Here, we measure the beam properties in the transmission of dithered square lattices, which is the most commonly used variant of lattice light-sheet microscopy, and Gaussian-based light-sheets. After a systematic analysis, we find that square lattices are very similar to Gaussian-based light-sheets in terms of thickness, confocal parameter, propagation length and overall imaging performance.
Structure–activity relationships and drug design

Abstract The ultimate goal drug discovery is to design ligands that tightly bind to a biomolecule of interest, thereby modulating its biological activity. Structure–activity relationships (SARs) refer to an array of powerful drug design technologies to study the relationships between chemical structure and biological activity of a molecule. This simple concept has been largely used in drug discovery as the driving force to guide synthetic efforts by medicinal chemists and to prioritize the acquisition of new chemical derivatives. In this contribution, we provide a broad overview of historical challenges, current implementations, and future developments of SAR in drug design. To this end, we discuss the theoretical frameworks in support of main SAR strategies, including traditional medicinal chemistry approaches, as well as computationally guided implementations. We then guide the reader through a detailed examination of the field by providing case studies and success stories that illustrate formal applications.
Comparison of machine learning techniques to optimize the analysis of plutonium surrogate material via a portable LIBS device

The utilization of machine learning techniques has become commonplace in the analysis of optical emission spectra. These methods are often limited to variants of principal components analysis (PCA), partial-least squares (PLS), and artificial neural networks (ANNs). A plethora of other techniques exist and are well established in the world of data science, yet are seldom investigated for their use in spectroscopic problems. In this study, machine learning techniques were used to analyze optical emission spectra of laser-induced plasma from ceria pellets doped with silicon in order to predict silicon content. A boosted regression ensemble model was created, and its predictive accuracy was compared to that of traditional PCA, PLS, and ANN regression models. Boosted regression tree ensembles yielded fits with R-squared (R2) values as high as 0.964 and mean-squared errors of prediction (MSEPs) as low as 0.074, providing the most accurate predictive model. Neural networks performed with slightly lower R2 values and higher MSEPs compared to the ensemble methods, thus indicating susceptibility to overfitting.
Sztuka nie oddaje Widzialnego, ale raczej Widzialne umożliwia

In this essay the author examines Klee’s famous statement in his Cre-ative Confession (1920), which goes as follows: “Kunst gibt nicht das Sichtbare wieder, sondern macht sichtbar”. In conclusion, he argues that it should sound this way: “Art does not render the Visible; rather it makes the Visible possible (it lets the Visible happen)”. Art, according to Klee, has the power of giving us the access to the domain of pure potentiality, i.e. of pure ideas, anticipating the sphere of empirical experience — in other words, art anticipates what is real, “given”, or “visible”. While the traditional art represents, it means „rends visible”, the abstract one (Klee’s new art) — makes vision as well as visible possible (“makes visible”).
Exact traveling waves for the Klein–Gordon Equation with different logarithmic nonlinearities

The Klein–Gordon equation is one of the highly studied partial differential equations in condensed matter physics. Typically, the nonlinear functions associated with the Klein–Gordon equation are in the form of sinusoidal functions or polynomials. However, when looking at phenomena where logarithmic quantum mechanics is involved, various forms of logarithmic nonlinearities can be incorporated within the Klein–Gordon equation. In this paper, we consider three different forms of logarithmic nonlinearity with the goal of obtaining exact traveling wave solutions. By employing the auxiliary equation method, we are able to obtain real-valued exact solutions that are bounded kinks, periodic and bell-shaped solutions or singular solutions.
The goal of economic development can be achieved through education.

I highlighted in this paper how the economic development can be achieved by education and role of education in devlopment.Education only way to provide the goal of economic devlopment.
Expectancy Theory, Profit Sharing Plans and Accounting Information

Researchers in accounting have mainly focused on the use of financial information by investors, financial markets, creditors, and management. Although employees are classified as a group of users of financial information, it is not clear how and in what extent employees are using accounting information. On the theory base, there is less discussion about the theories which explain why and how accounting information is useful to this group of users. This paper illustrates how the expectancy theory can explain the usefulness of accounting information to employees. According to this theory, employees are rational and information seekers who use relevant information to make proper reaction and they use available information to determine the plausibility of the compensation plans offered by the firm. Accounting information is among the available information to employees which is the official information about the firm's financial performance. Therefore, accounting information could explain employees' behavior only if this information is correlated with their reactions to the compensation plans. If this information could explain the employees behavior, then we should be able to develop a prediction model and to identify informative factors. This paper investigates this issue by analyzing the usefulness of accounting information to explain the behavior of the employees in adoption or rejection of a profit sharing plan.
Adenocarcinoma in situ of the uterine cervix.

Objective To assess the diagnostic accuracy of cervical conization in women with adenocarcinoma in situ and to determine whether a select group of women could be managed by conization alone without hysterectomy. Methods We retrospectively reviewed 40 cases of cervical adenocarcinoma in situ diagnosed on cervical conization. Results Cervical conization revealed adenocarcinoma in situ alone in 15 women. Twenty-five women had adenocarcinoma in situ coexisting with squamous dysplasia (23) or microinvasive squamous cell carcinoma (two). Twenty-two women underwent hysterectomy after cone biopsy. Adenocarcinoma in situ was detected in the hysterectomy specimen in one of 12 women with uninvolved cone margins, versus seven of ten women with involved margins (P = .006); two of these seven women also had foci of invasive adenocarcinoma in the hysterectomy specimen. Conization was the only treatment for 18 selected women with adenocarcinoma in situ and uninvolved margins; all were relapse-free after a median interval of 3 years (range 1.5-5). Conclusions Women with cervical adenocarcinoma in situ diagnosed by conization who have positive margins are at high risk of residual adenocarcinoma in situ and moderate risk of occult invasive adenocarcinoma; expectant management is not warranted. However, a cone biopsy with uninvolved margins can reliably guide subsequent therapy. Selected young women who desire preservation of fertility and have uninvolved margins probably can be managed by conization alone, but further study is required to establish the safety of this approach.
Multinuclear NMR studies of mixed Ca 1 − x Sr x F 2 crystals

The local environments of fluorine and calcium ions in ${\text{Ca}}_{1\ensuremath{-}x}{\text{Sr}}_{x}{\text{F}}_{2}$ single crystals have been studied using $^{19}\text{F}$ and $^{43}\text{C}\text{a}$ magic-angle spinning (MAS) NMR spectroscopies. The fluorine speciation is found to depend on both the distribution of cations (Ca and Sr) around each fluorine site in the fluorite lattice, as well as fluctuations in the ionic character of bonding between fluorine and these cations. The natural abundance $^{43}\text{C}\text{a}$ MAS NMR results show a clear relation between $^{43}\text{C}\text{a}$ chemical shielding and bond distances in halides, with increasing shielding as the fluorite lattice expands and Ca-F distances lengthen. When taken together, the results from $^{19}\text{F}$ and $^{43}\text{C}\text{a}$ NMR are consistent with a random substitution of Sr for Ca in the mixed fluoride system.
Extensive meteoroid fragmentation in V/UHF radar meteor observations at Arecibo Observatory

[1] New 46.8/430 MHz (V/UHF) radar meteor observations at Arecibo Observatory reveal many previously unreported features in the radar meteor return that are consistent with meteoroid fragmentation. These signature features—observed at both V/UHF—include strong intra-pulse and pulse-to-pulse fading as the result of interference between or among multiple meteor head-echo returns and between head-echo and impulsive “flare” event “trail-echoes”. A few events are suggestive of differential ablation. These V/UHF radar observations are particularly useful as coaxial beams enable common volume observations that remove much ambiguity in the interpretation of the observations in terms of meteoroid fragmentation. These results, combined with simple modeling and two 500 sample statistical studies, lead us to conclude that a majority of the ∼17,000 AO radar meteor events included in this study exhibit fragmentation—manifested as non-uniform lightcurves—implying that the form of meteoroid mass flux into the upper atmosphere goes well beyond simple ablation.
Autophosphorylation-dependent inactivation of plant chimeric calcium/calmodulin-dependent protein kinase.

Chimeric calcium/calmodulin dependent protein kinase (CCaMK) is characterized by the presence of a visinin-like Ca(2+)-binding domain unlike other known calmodulin- dependent kinases. Ca(2+)-Binding to the visinin-like domain leads to autophosphorylation and changes in the affinity for calmodulin [Sathyanarayanan P.V., Cremo C.R. & Poovaiah B.W. (2000) J. Biol. Chem. 275, 30417-30422]. Here, we report that the Ca(2+)-stimulated autophosphorylation of CCaMK results in time-dependent loss of enzyme activity. This time-dependent loss of activity or self-inactivation due to autophosphorylation is also dependent on reaction pH and ATP concentration. Inactivation of the enzyme resulted in the formation of a sedimentable enzyme due to self-association. Specifically, autophosphorylation in the presence of 200 microm ATP at pH 7.5 resulted in the formation of a sedimentable enzyme with a 33% loss in enzyme activity. Under similar conditions at pH 6.5, the enzyme lost 67% of its activity and at pH 8.5, 84% enzyme activity was lost. Furthermore, autophosphorylation at either acidic or alkaline reaction pH lead to the formation of a sedimentable enzyme. Transmission electron microscopic studies on autophosphorylated kinase revealed particles that clustered into branched complexes. The autophosphorylation of wild-type kinase in the presence of AMP-PNP (an unhydrolyzable ATP analog) or the autophosphorylation-site mutant, T267A, did not show formation of branched complexes under the electron microscope. Autophosphorylation- dependent self-inactivation may be a mechanism of modulating the signal transduction pathway mediated by CCaMK.
Enzalutamide: the emperor of all anti-androgens

In the last few years, there has been a rekindled interest in the androgen receptor (AR) and AR signaling as valid therapeutic targets in prostate cancer. While the primary goal of therapy for recurrent or advanced prostate cancer has long been to reduce circulating and intratumoral androgen levels, recent laboratory and clinical data have shown that AR signaling remains active (and continues to drive tumor growth) even in the castration-resistant state (1).
Some modeling problems in reflection seismology

Modeling of Physical systems can be decomposed into four subproblems: representation, measurement, estimation, and validation. This paper shows how this decomposition can be applied to the reflection seismology problems of inversion and deconvolution, and that reflection seismology is a very rich field for practitioners of parameter estimation, system identification, and signal processing.
The Metabolic Syndrome, Inflammation, and Risk of Cognitive Decline

ContextSeveral studies have reported an association between the metabolic syndrome and cardiovascular disease. Despite an increasing awareness that cardiovascular risk factors increase risk of cognitive decline and dementia, there are few data on the metabolic syndrome and cognition.ObjectiveTo determine if the metabolic syndrome is a risk factor for cognitive decline and if this association is modified by inflammation.Design and SettingA 5-year prospective observational study conducted from 1997 to 2002 at community clinics at 2 sites.ParticipantsA total of 2632 black and white elders (mean age, 74 years).Main Outcome MeasuresAssociation of the metabolic syndrome (measured using National Cholesterol Education Program guidelines) and high inflammation (defined as above median serum level of interleukin 6 and C-reactive protein) with change in cognition (Modified Mini-Mental State Examination [3MS]) at 3 and 5 years. Cognitive impairment was defined as at least a 5-point decline.ResultsCompared with those without the metabolic syndrome (n = 1616), elders with the metabolic syndrome (n = 1016) were more likely to have cognitive impairment (26% vs 21%, multivariate adjusted relative risk [RR], 1.20; 95% confidence interval [CI], 1.02-1.41). There was a statistically significant interaction with inflammation and the metabolic syndrome (P = .03) on cognitive impairment. After stratifying for inflammation, those with the metabolic syndrome and high inflammation (n = 348) had an increased likelihood of cognitive impairment compared with those without the metabolic syndrome (multivariate adjusted RR, 1.66; 95% CI, 1.19-2.32). Those with the metabolic syndrome and low inflammation (n = 668) did not exhibit an increased likelihood of impairment (multivariate adjusted RR, 1.08; 95% CI, 0.89-1.30). Stratified multivariate random-effects models demonstrated that participants with the metabolic syndrome and high inflammation had greater 4-year decline on 3MS (P = .04) compared with those without the metabolic syndrome, whereas those with the metabolic syndrome and low inflammation did not (P = .44).ConclusionThese findings support the hypothesis that the metabolic syndrome contributes to cognitive impairment in elders, but primarily in those with high level of inflammation.
Do the elderly “vote with their feet?”

This research explores whether the elderly “vote with their feet” by migrating to states with government policies that treat them favorably. A theoretical model is presented that clarifies the effects of cost-of-living, amenities and the public sector on migration decisions and that informs our empirical analysis. Using state-level migration data from the 1990 Census, we estimate out-migration and in-migration equations that suggest that the public sector is an important determinant of elderly migration, but in sometimes unexpected ways. Our results lend some support for the Tiebout hypothesis, but they also raise serious questions about the nature of the elderly's preferences for government policy.
Bifurcation and non-equilibrium phase transitions in a chemical reaction with diffusion

Under suitable assumptions the dynamics of a class of chemical reactions with diffusion is governed by a parabolic partial differential equation with a cubic non-linearity and Neumann boundary conditions. Stationary and homogeneous solutions, stationary but non-homogeneous solutions as well as time and space dependent solutions are possible. By tuning the characteristic parameters of the system we can modify the domain of attraction of the system's equilibria and the way they are reached from different initial conditions. We can also explain the processes of nucleation and hysteresis.
The absorption of direct dyes by crosslinked cellulose. I. The equilibrium of dyeing

The effect of the degree of chemical crosslinking of cellulose with two bifunctional crosslinking agents dimethylol ethylene are (DMEU) and bis (hydroxyethyl) sulfur (BHES), on the equilibrium absorption of the direct dyes Chlorazol Sky Blue FF (C.I. Direct Blue 1) and Chrysophenine G (C.I. Direct Yellow 12) has been reported. The results show the increasing reduction of equilibrium dye absorption with increasing crosslink density. However, the maximum loss of absorption is about less than half of the amount absorbed by uncrosslinked cellulose. The results have been interpreted by reference to the parameters affecting the free energy of dyeing and the relevant models (pore model and gel model) available for explaining the fine structure of swollen cellulose.
Adrenal cortical carcinoma

The records of 110 patients (58 females and 52 males) with histologically proven adrenal cortical carcinoma were studied. Fifty-six of 110 (50.9%) patients had abdominal symptoms and 33 (30.0%) had a palpable abdominal mass. Surgery for localized and regional disease was associated with a disease-free survival time of at least 2 years in 28 of the 50 (56%) patients. Abdominal radiotherapy, systemic chemotherapy, and 1,1 dichloro-2 (O-chlorophenyl)-2 (P-chlorophenyl) ethane (OPDDD) were effective in three of 19 (15.8%) patients, three of 31 (9.7%) patients, and 21 of 72 (29.2%) patients, respectively. Combined radiotherapy and OPDDD did not confer any additional benefit over OPDDD alone. Six of seven patients who received OPDDD as adjuvant treatment are still alive at 1 to 4 years. Distant metastases occurred most commonly in the lungs, liver, peritoneum, lymph nodes, and bones. Only 23% of the patients survived 5 years or more. We conclude that early diagnosis and complete surgical excision offer the best prospects for long-term survival and that the efficacy of adjuvant OPDDD needs to be evaluated further.