Outer Function Research Articles

Choice of hybrid functional and basis set optimization to calculate the structural, electronic, mechanical, and vibrational properties of BaSnO3

This work aimed to study the influence of seven hybrid functionals (B3LYP, B1WC, B3PW, PBE0, PBESOL0, SOGGAXC, and WC1LYP) and selected basis sets in the CRYSTAL software library on the calculated structural, electronic, mechanical, and vibrational properties of BaSnO3 under the framework of periodic density functional theory. Based on the results showing the best approximation of the experimental band gap energy and lattice parameter, the PBE0 functional and the Baranek basis set were used to optimize the outer valence shell functions, αsp and αd, in order to improve the quality of calculated properties. An analysis was done to determine the density of states, band structure, elastic constants, and infrared (IR) active modes. The results were compared with other reported quantum mechanical calculations and available experimental data.

Drug discovery strategies to outer membrane targets in Gram-negative pathogens

This review will cover selected recent examples of drug discovery strategies which target the outer membrane (OM) of Gram-negative bacteria either by disruption of outer membrane function or by inhibition of essential gene products necessary for outer membrane assembly. Significant advances in pathway elucidation, structural biology and molecular inhibitor designs have created new opportunities for drug discovery within this target-class space.

Drop of the Smoothness of an Outer Function Compared to the Smoothness of its Modulus, Under Restrictions on the Size of Boundary Values

Let F be an outer function on the unit disk. It is well known that its smoothness properties can be twice worse than those of the modulus of its boundary values, but under some restrictions on log |F|, this gap becomes smaller. It is shown that the smoothness decay admits a convenient description in terms of a rearrangement invariant Banach function space containing log |F|. All the results are of pointwise nature.

Quantitative results on continuity of the spectral factorization mapping in the scalar case

In the scalar case, the spectral factorization mapping $f\to f^+$ puts a nonnegative integrable function $f$ having an integrable logarithm in correspondence with an outer analytic function $f^+$ such that $f = |f^+|^2$ almost everywhere. The main question addressed here is to what extent $\|f^+ - g^+\|_{H_2}$ is controlled by $\|f-g\|_{L_1}$ and $\|\log f - \log g\|_{L_1}$.

Cyclicity and invariant subspaces in Dirichlet spaces

Let μ be a positive finite measure on the unit circle and D(μ) the associated Dirichlet space. The generalized Brown–Shields conjecture asserts that an outer function f∈D(μ) is cyclic if and only if cμ(Z(f))=0, where cμ is the capacity associated with D(μ) and Z(f) is the zero set of f. In this paper we prove that this conjecture is true for measures with countable support. We also give in this case a complete and explicit characterization of invariant subspaces.

Convergence analysis of multivariate McCormick relaxations

The convergence rate is analyzed for McCormick relaxations of compositions of the form $$F \circ f$$Fźf, where F is a multivariate function, as established by Tsoukalas and Mitsos (J Glob Optim 59:633---662, 2014). Convergence order in the Hausdorff metric and pointwise convergence order are analyzed. Similar to the convergence order propagation of McCormick univariate composition functions, Bompadre and Mitsos (J Glob Optim 52(1):1---28, 2012), the convergence order of the multivariate composition is determined by the minimum of the orders of the inclusion functions of the inner functions and the convergence order of the multivariate outer function. The convergence order in the Hausdorff metric additionally depends on the enclosure order of the image of the inner functions introduced in this work. The result established holds for any composition and can be further specialized for specific compositions. In some cases this specialization results in the bounds established by Bompadre and Mitsos. Examples of important functions, e.g., binary product of functions and minimum of functions show that the convergence rate of the relaxations based on multivariate composition theorem results in a higher convergence rate than the convergence rate of univariate McCormick relaxations. Refined bounds, employing also the range order, similar to those determined by Bompadre et al. (J Glob Optim 57(1):75---114, 2013), on the convergence order of McCormick relaxations of univariate and multivariate composite functions are developed.

Inner and outer radial density functions in correlated two-electron systems

A method is presented for determining inner and outer one-electron radial density functions for two electron systems by partitioning the fully correlated two-electron radial density function. This is applied to the helium isolectronic series (Z=1 to 10 and 100) and the critical nuclear charge system, which has the minimum charge for which the atomic system has at least one bound state, to separate out the motions of the two electrons in both weakly and strongly correlated systems. It is found that the inner electron experiences an anti-shielding effect due to the perturbation by the other electron which increases with increasing Z. For the weakly bound systems the inner radial density distribution closely resembles that of a hydrogenic atom with the outer radial density distribution becoming very diffuse.

Retinotopic Distribution of Structural and Functional Damages following Bright Light Exposure of Juvenile Rats.

In the present study, we aimed at better understanding the short (acute) and long term (chronic) degenerative processes characterizing the juvenile rat model of light-induced retinopathy. Electroretinograms, visual evoked potentials (VEP), retinal histology and western blots were obtained from juvenile albino Sprague-Dawley rats at preselected postnatal ages (from P30 to P400) following exposure to 10,000 lux from P14 to P28. Our results show that while immediately following the cessation of exposure, photoreceptor degeneration was concentrated within a well delineated area of the superior retina (i.e. the photoreceptor hole), with time, this hole continued to expand to form an almost photoreceptor-free region covering most of superior-inferior axis. By the end of the first year of life, only few photoreceptors remained in the far periphery of the superior hemiretina. Interestingly, despite a significant impairment of the outer retinal function, the retinal output (VEP) was maintained in the early phase of this retinopathy. Our findings thus suggest that postnatal exposure to a bright luminous environment triggers a degenerative process that continues to impair the retinal structure and function (mostly at the photoreceptor level) long after the cessation of the exposure regimen (more than 1 year documented herein). Given the slow degenerative process triggered following postnatal bright light exposure, we believe that our model represents an attractive alternative (to other more genetic models) to study the pathophysiology of photoreceptor-induced retinal degeneration as well as therapeutic strategies to counteract it.

MENINGKATKAN HASIL BELAJAR IPA TENTANG KEANEKARAGAMAN HEWAN DAN TUMBUHANMELALUI METODE PROBLEM BASED LEARNING

objective singer to review the findings improve science learning about domesticated animal and plant through project based learning method (project based learning) atgrade elementary school.research singer using a class action research methods according kemmis and mc.taggart that done during cycle prayer. research results show that increase student learning results in science subjects 22 students that amounts hearts understanding basic competence explain outer animal body shape and function well as plants using project based learning method. it can be evidenced with singer test score results students learn in cycle 1 ie 50% of students average completed by class 61, increases in cycle 2 reaches 91% of students completed an average with class teacher and student activity 84. match step-step method singer reached 100% (masteri learning) conclusion on cycle 2. implementation project-based learning method can be improve learning results ipa regarding the domesticated animal and plant competency explain affairs animal body shape and also plants function well as enhance the activity, seriousness and cooperation student learning hearts follow.
 
 Keywords: Findings learn science, project based learning method, domesticated animals and plants.
 
 Abstrak:Tujuan Penelitian ini untuk meningkatkan hasil belajar IPA tentang keanekaragaman hewan dan tumbuhan melalui metode pembelajaran Berbasis Proyek (Project Based Learning) pada siswa kelas di Sekolah Dasar Penelitian ini menggunakan metode penelitian tindakan kelas menurut Kemmis dan Mc.Taggart yang dilakukan selama dua siklus. Hasil penelitian menunjukkan bahwa ada peningkatan hasil belajar siswa pada mata pelajaran IPA yang berjumlah 22 siswa dalam memahami kompetensi dasar menjelaskan bentuk luar tubuh hewan dan tumbuhan serta fungsinya menggunakan metode pembelajaran berbasis proyek. Hal ini dapat dibuktikan dengan nilai tes hasil belajar siswa pada siklus 1 yaitu 50% siswa yang tuntas dengan rata-rata kelas 61, meningkat pada siklus 2 mencapai 91% siswa yang tuntas dengan rata-rata kelas 84. Kegiatan guru dan siswa sesuai langkah-langkah metode ini mencapai 100% (masteri learning) pada siklus 2. Kesimpulan Implementasi metode pembelajaran berbasis proyek dapat meningkatkan hasil belajar IPA tentang keanekaragaman hewan dan tumbuhan pada kompetensi dasar menjelaskan bentuk luar tubuh hewan dan tumbuhan serta fungsinya juga meningkatkan keaktifan, kesungguhan dan kerjasama siswa dalam mengikuti pembelajaran.
 
 Kata Kunci: hasil belajar IPA, Metode Pembelajaran Berbasis Proyek, Keanekaragaman
 hewan dantumbuhan

SINGULAR INNER FUNCTION AND ANALYTIC BOUNDED POINT EVALUATION

In Section 1, I constructed a singular inner function which is an upper bound for a given outer function, i.e. replacing an outer function with a constant multiple of a singular inner In Section 2, I proved how unit disk containment is not effected for the analytic bounded point evaluation by a restricted measure. AMS Subject Classification: 53C20, 53B20

A simple three step method for selective placement of organic groups in mesoporous silica thin films

Selective functionalization of mesoporous silica thin films was achieved using a three step method. The first step consists in an outer surface functionalization, followed by washing off the structuring agent (second step), leaving the inner surface of the pores free to be functionalized in the third step. This reproducible method permits to anchor a volatile silane group in the outer film surface, and a second type of silane group in the inner surface of the pores. As a concept test we modified the outer surface of a mesoporous silica film with trimethylsilane (–Si–(CH3)3) groups and the inner pore surface with propylamino (–Si–(CH2)3–NH2) groups. The obtained silica films were characterized by Environmental Ellipsometric Porosimetry (EEP), EDS, XPS, contact angle and electron microscopy. The selectively functionalized silica (SF) shows an amount of surface amino functions 4.3 times lower than the one-step functionalized (OSF) silica samples. The method presented here can be extended to a combination of silane chlorides and alkoxides as functional groups, opening up a new route toward the synthesis of multifunctional mesoporous thin films with precisely localized organic functions.

A Gleason-Kahane-Żelazko theorem for modules and applications to holomorphic function spaces

We generalize the Gleason-Kahane-Zelazko theorem to modules. As an application, we show that every linear functional on a Hardy space that is non-zero on outer functions is a multiple of a point evaluation. A further consequence is that every linear endomorphism of a Hardy space that maps outer functions to nowhere-zero functions is a weighted composition operator. In neither case is continuity assumed. We also consider some extensions to other function spaces. (Joint work with Javad Mashreghi.)

Journal of Global Optimization Best Paper Award for a paper published in 2014

McCormick (Math Prog 10(1):147–175, 1976) provides the framework for convex/concave relaxations of factorable functions, via rules for the product of functions and compositions of the form F ◦ f , where F is a univariate function. Herein, the composition theorem is generalized to allow multivariate outer functions F , and theory for the propagation of subgradients is presented. The generalization interprets the McCormick relaxation approach as a decomposition method for the auxiliary variable method. In addition to extending the framework, the new result provides a tool for the proof of relaxations of specific functions. Moreover, a direct consequence is an improved relaxation for the product of two functions, at least as tight as McCormicks result, and often tighter. The result also allows the direct relaxation of multilinear products of functions. Furthermore, the composition result is applied to obtain improved convex underestimators for the minimum/maximum and the division of two functions for which current relaxations are often weak. These cases can be extended to allow composition of a variety of functions for which relaxations have been proposed. Congratulations to the authors of the awardedpapers! Iwould also like to thankSpringer for sponsoring this award and the committee members for their active involvement. Nominations for the 2015 JOGO Best Paper Award should be emailed to butenko@tamu.edu. All JOGO papers published in 2015 (volumes 61–63) are eligible.

NINL and DZANK1 Co-function in Vesicle Transport and Are Essential for Photoreceptor Development in Zebrafish.

Ciliopathies are Mendelian disorders caused by dysfunction of cilia, ubiquitous organelles involved in fluid propulsion (motile cilia) or signal transduction (primary cilia). Retinal dystrophy is a common phenotypic characteristic of ciliopathies since photoreceptor outer segments are specialized primary cilia. These ciliary structures heavily rely on intracellular minus-end directed transport of cargo, mediated at least in part by the cytoplasmic dynein 1 motor complex, for their formation, maintenance and function. Ninein-like protein (NINL) is known to associate with this motor complex and is an important interaction partner of the ciliopathy-associated proteins lebercilin, USH2A and CC2D2A. Here, we scrutinize the function of NINL with combined proteomic and zebrafish in vivo approaches. We identify Double Zinc Ribbon and Ankyrin Repeat domains 1 (DZANK1) as a novel interaction partner of NINL and show that loss of Ninl, Dzank1 or both synergistically leads to dysmorphic photoreceptor outer segments, accumulation of trans-Golgi-derived vesicles and mislocalization of Rhodopsin and Ush2a in zebrafish. In addition, retrograde melanosome transport is severely impaired in zebrafish lacking Ninl or Dzank1. We further demonstrate that NINL and DZANK1 are essential for intracellular dynein-based transport by associating with complementary subunits of the cytoplasmic dynein 1 motor complex, thus shedding light on the structure and stoichiometry of this important motor complex. Altogether, our results support a model in which the NINL-DZANK1 protein module is involved in the proper assembly and folding of the cytoplasmic dynein 1 motor complex in photoreceptor cells, a process essential for outer segment formation and function.

Concrete Examples of $$\varvec{\mathscr {H}(b)}$$ H ( b ) Spaces

In this paper, we give an explicit description of de Branges–Rovnyak spaces \(\mathscr {H}(b)\) when b is of the form \(q^{r}\), where q is a rational outer function in the closed unit ball of \(H^{\infty }\) and r is a positive number.

Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double‐Bridged [Mg2(CN)5]−1 Anions

An ab initio study of the superhalogen properties of eighteen binuclear double-bridged [Mg2 (CN)5 ](-1) clusters is reported herein by using various theoretical methods. High-level CCSD(T) results indicate that all the clusters possess strong superhalogen properties owing to their high vertical electron detachment energies (VDEs), which exceed 6.8 eV (highest: 8.15 eV). The outer valence Green's function method provides inaccurate relative VDE values; hence, this method is not suitable for this kind of polynuclear superhalogens. Both the HF and MP2 results are generally consistent with the CCSD(T) level regarding the relative VDE values and-especially interesting-the average values of the HF and MP2 VDEs are extremely close to the CCSD(T) results. The distributions of the extra electrons of the anions are mainly aggregated into the terminal CN units. These distributions are apparently different from those of previously reported triple-bridged isomers and may be the reason for the decreased VDE values of the clusters. In addition, comparisons of the VDEs of binuclear and mononuclear superhalogens as well as studies of the thermodynamic stabilities with respect to the detachment of various CN(-1) ligands are also performed. These results confirm that polynuclear structures with pseudohalogen ligands can be considered as probable new superhalogens with enhanced properties.

Utilizing fluoroxyl groups as ligands in superhalogen anions: An ab initio study of the [formula omitted] systems (M = Li, Na, K, Be, Mg, Ca, B, Al)

The utilizing fluoroxyl groups as ligands in the superhalogen anionic species is proposed and discussed on the basis of the ab initio outer valence Green function (OVGF) theoretical results. The representative species, such as Li(OF)2−, Na(OF)2−, K(OF)2−, Be(OF)3−, Mg(OF)3−, Ca(OF)3−, B(OF)4−, and Al(OF)4−, were designed and studied at the OVGF/6–311+G(3df)//MP2/6-311+G(d) level. The lowest and highest electron binding energies for the species considered were found for the Na(OF)2− (5.151eV) and Al(OF)4− (7.566eV), respectively.

NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules.

Two accurate and computationally efficient electron-propagator (EP) methods for calculating the valence, vertical ionization energies (VIEs) of closed-shell molecules have been identified through comparisons with related approximations. VIEs of a representative set of closed-shell molecules were calculated with EP methods using 10 basis sets. The most easily executed method, the diagonal, second-order (D2) EP approximation, produces results that steadily rise as basis sets are improved toward values based on extrapolated coupled-cluster singles and doubles plus perturbative triples calculations, but its mean errors remain unacceptably large. The outer valence Green function, partial third-order and renormalized partial third-order methods (P3+), which employ the diagonal self-energy approximation, produce markedly better results but have a greater tendency to overestimate VIEs with larger basis sets. The best combination of accuracy and efficiency with a diagonal self-energy matrix is the P3+ approximation, which exhibits the best trends with respect to basis-set saturation. Several renormalized methods with more flexible nondiagonal self-energies also have been examined: the two-particle, one-hole Tamm-Dancoff approximation (2ph-TDA), the third-order algebraic diagrammatic construction or ADC(3), the renormalized third-order (3+) method, and the nondiagonal second-order renormalized (NR2) approximation. Like D2, 2ph-TDA produces steady improvements with basis set augmentation, but its average errors are too large. Errors obtained with 3+ and ADC(3) are smaller on average than those of 2ph-TDA. These methods also have a greater tendency to overestimate VIEs with larger basis sets. The smallest average errors occur for the NR2 approximation; these errors decrease steadily with basis augmentations. As basis sets approach saturation, NR2 becomes the most accurate and efficient method with a nondiagonal self-energy.

A new mouse model for stationary night blindness with mutant Slc24a1 explains the pathophysiology of the associated human disease.

Mutations that affect calcium homeostasis (Ca(2+)) in rod photoreceptors are linked to retinal degeneration and visual disorders such as retinitis pigmentosa and congenital stationary night blindness (CSNB). It is thought that the concentration of Ca(2+) in rod outer segments is controlled by a dynamic balance between influx via cGMP-gated (CNG) channels and extrusion via Na(+)/Ca(2+), K(+) exchangers (NCKX1). The extrusion-driven lowering of rod [Ca(2+)]i following light exposure controls their light adaptation and response termination. Mutant NCKX1 has been linked to autosomal-recessive stationary night blindness. However, whether NCKX1 contributes to light adaptation has not been directly tested and the mechanisms by which human NCKX1 mutations cause night blindness are not understood. Here, we report that the deletion of NCKX1 in mice results in malformed outer segment disks, suppressed expression and function of rod CNG channels and a subsequent 100-fold reduction in rod responses, while preserving normal cone responses. The compensating loss of CNG channel function in the absence of NCKX1-mediated Ca(2+) extrusion may prevent toxic Ca(2+) buildup and provides an explanation for the stationary nature of the associated disorder in humans. Surprisingly, the lack of NCKX1 did not compromise rod background light adaptation, suggesting additional Ca(2+)-extruding mechanisms exist in these cells.

Current research of acute zonal occult outer retinopathy

Acute zonal occult outer retinopathy (AZOOR) is a relatively rare ocular disease that is characterized by the rapid loss of one or more zones of outer retinal function. AZOOR usually occurs in young women. AZOOR patients typically present with the sudden onset of photopsia and acute scotomas related to loss of sectors of outer retinal function. Early in the course of AZOOR, funduscopic appearance was often normal; however, most patients developed zones of retinal pigment epithelial atrophy or pigment clumping over time. Changes in electroretinogram (ERG) and persistent visual field defects were usually observed. Optical coherence tomography (OCT) showed that inner segment (IS)/outer segment (OS) regional abnormal changes corresponding to the visual field defect location area, at the same time the morphology and position of the visual field defect and multifocal electroretinogram (mfERG) shown in retinal amplitude density decreased regions coincide. The visual function of some patients can permanently damage. Fundus examination, mfERG and fluorescein angiography (FA), indocyanine green angiography (ICGA), autofluorescence (AF) and frequency domain OCT imaging techniques has an important significance for the diagnosis of AZOOR. Ever since the lack of understanding, AZOOR is often missed or misdiagnosed. In order to improve the understanding of the disease, this paper reviewed the definition, etiology, the epidemiological characteristics, clinical manifestation, classification, diagnosis, differential diagnosis, treatment and prognosis of AZOOR. Key words: Acute zonal occult outer retinopathy; Retinal diseases; Photopsia; Scotomas