bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Liu‐Parr power series expansion of the Pauli kinetic energy functional with the incorporation of shell‐inducing traits: Atoms
Authors: Ludeña Eduardo V. , Salazar Edison X. , Cornejo Mauricio H. , Arroyo Darío E. , Karasiev Valentin V. 
Published: February 2018

AbstractAn approximate expression for the Pauli kinetic energy functional Tp is advanced in terms of the Liu‐Parr expansion [S. Liu, R.G. Parr, Phys. Rev. A 1997, 55, 1792] which involves a power series of the one‐electron density. We use this explicit functional for Tp to compute the value of the noninteracting kinetic energy functional Ts of 34 atoms, from Li to Kr (and their positive and negative monoions). In particular, we examine the effect that a shell‐by‐shell mean‐square optimization of the expansion coefficients has on the kinetic energy values and explore the effect that the size of the expansion, given by the parameter n, has on the accuracy of the approximation. The results yield a mean absolute percent error
for 34 neutral atoms of 0.15, 0.08, 0.04, 0.03, and 0.01 for expansions with n = 3, 4, 5, 6, and 7, respectively (where
). We show that these results, which are the most accurate ones obtained to date for the representation of the noninteracting kinetic energy functional, stem from the imposition of shell‐inducing traits. We also compare these Liu‐Parr functionals with the exact but nonexplicit functional generated in the local‐scaling transformation version of DFT.
A delay‐independent output feedback for linear systems with time‐varying input delay
Authors: Wei Yusheng , Lin Zongli 
Published: February 2018

SummaryIt is well known that a delay‐dependent or delay‐independent truncated predictor feedback law stabilizes a general linear system in the presence of a certain amount of input delay. Results also exist on estimating the maximum delay bound that guarantees stability. In the face of a time‐varying or unknown delay, delay‐independent feedback laws are preferable over delay‐dependent feedback laws as the former provide robustness to the uncertainties in the delay. In the light of few results on the construction of delay‐independent output feedback laws for general linear systems with input delay, we present in this paper a delay‐independent observer–based output feedback law that stabilizes the system. Our design is based on the truncated predictor feedback design. We establish an estimate of the maximum allowable delay bound through the Razumikhin‐type stability analysis. An implication of the delay bound result reveals the capability of the proposed output feedback law in handling an arbitrarily large input delay in linear systems with all open‐loop poles at the origin or in the open left‐half plane. Compared with that of the delay‐dependent output feedback laws in the literature, this same level of stabilization result is not sacrificed by the absence of the prior knowledge of the delay.
Photoluminescence Properties of Aryl‐, Arylvinyl‐, and Arylethynylpyrimidine Derivatives
Authors: Achelle Sylvain , Rodríguez‐López Julián , Guen Françoise Robin‐le 
Published: February 2018

AbstractThe extraordinary richness of push‐pull molecules that incorporate pyrimidine rings as electron‐withdrawing moieties in their structure is illustrated in this review. Interest in these π‐extended systems has increased dramatically over the last two decades due to their fluorescence properties and potential applications in sensing and as luminescent materials. As many as 422 different molecules are presented in an effort to establish structure‐property relationships, which are often difficult to elucidate.
Piperine Encapsulation within Cucurbit[n]uril (n=6,7): A Combined Experimental and Density Functional Study
Authors: Mohanty Biswajit , Suvitha Ambigapathy , Venkataramanan Natarajan Sathiyamoorthy 
Published: February 2018

AbstractThe formation of host‐guest between piperine and cucurbit[n]uril (n=6,7) molecules were studied using experimental and density functional theory (DFT) calculations. The host‐guest complexation was monitored using UV‐Visible and isothermal calorimetric (ITC) methods. The obtained Jobs plot indicate the formation of 1:1 complex. ITC analysis shows a moderate binding of the guest to the host molecules. The enthalpy of binding and the free energy of formation were negative indicating the facile formation of inclusion complex at room temperature. DFT studies confirm the formation of stable inclusion complexes. In stable inclusion complex of piperine with cucurbit[6]uril, the aromatic moiety was found to be inside the cucurbituril cavity, while in the cucurbit[7]uril inclusion complex, the piperidine moiety was inside the cavity, which was further confirmed by time dependent‐DFT study. The global reactivity descriptors analysis, indicate the formation of piperine inclusion complex with cucurbit[7]uril, could prevent the isomerization reaction of piperine. Atoms‐in‐molecules analysis shows the presence of extra inter and intramolecular bond critical points in the piperine inclusion complex with cucurbit[7]uril, which accounts for its extra stability. The computed intermolecular bond parameters confirm the existence of a non‐covalent with partial electrostatic interactions between the guest and host molecules. Energy decomposition analysis, suggest the Pauli repulsion to be higher for the cucurbit[6]uril inclusion complex, while the dispersion plays a major role in stabilizing the cucurbit[7]uril inclusion complex, which was further corroborated by noncovalent index analysis.
Dual‐Hemin‐Labelled Catalytic Molecular Beacon: A Monomer‐Dimer Switching Probe for Sensitive Chemiluminescence Detection of Biomolecules
Authors: Meng Rong , Liu Qiang , Jin Yan , Li Baoxin 
Published: February 2018

AbstractThe stem‐loop structure of molecular beacon (MB) makes it a powerful nucleic acid probe for homogenous and highly specific bioanalysis. Tradition MBs have an intrinsic limitation on sensitivity because one target molecule converts only one beacon molecule to its fluorescent conformation. Herein, taking full advantages of the self‐dimerization behavior and catalytic characteristic of hemin, we engineered a new class of catalytic MB. Both ends of MB are labeled with hemin, and then target‐induced opening of stem‐loop structure switches hemin dimer to monomer. Hemin dimer exhibits a low peroxidase activity, whereas hemin monomer with high catalytic activity can produce strong chemiluminescence (CL) emission in the presence of luminol and H2O2. Thus, this catalytic MB can highly specifically report target in homogeneous solution by hemin‐driven CL signal. One target can introduce two catalytic cycles, exhibiting a higher sensitivity than traditional MB. The formation of hemin dimer further strengthens the stability of stem‐loop structure, which greatly reduces the background and improves the specificity. More importantly, the assay can also be adapted for colorimetric and fluorescent readout by changing the catalytic substrate. Therefore, this catalytic MB is a novel and promising probe for developing sensitive and diverse biosensing platform.
Amphiphilic Glycoconjugated Porphyrin Heterodimers as Two‐Photon Excitable Photosensitizers: Design, Synthesis, Photophysical and Photobiological Studies
Authors: Chen Su , Poyer Florent , Garcia Guillaume , Fiorini‐Debuisschert Céline , Rosilio Véronique , Maillard Philippe 
Published: February 2018

AbstractA new family of amphiphilic glycoconjugated porphyrin dimers usable in two‐photon photodynamic therapy was designed, prepared and characterized. The physicochemical and biological data were presented and discussed. Their two‐photon absorption cross section was determined, revealing quite good performances of the compounds (δ ≈ 300 GM at 880 nm for 2 and 3 and δ ≈ 1000 GM at 840 nm for 5 and 6). Despite their promising photophysical properties, porphyrin dimers are penalized by their low solubility and an insufficient penetration into tumour cells. Incorporation into nanocarriers such as lipid vesicles could be profitable, provided that the positioning and degree of freedom of the saccharide moieties are optimal to target the receptors of the cells of interest.
Molecular Design, Synthesis, Computational Screening, Antimicrobial Evaluation and Molecular Docking Study of Acetylinic Isatin Hybrids
Authors: Singh Gurjaspreet , Arora Aanchal , Singh Akshpreet , Kalra Pooja , Rani Sunita , Singh Kashmir , Maurya Indresh K. , Mandal Rahul S. 
Published: February 2018

AbstractAs a part of our program to compose multicomponent hybrid templates with potential pharmaceutical recognition, we have designed a library of acetylinic isatin hydrazones (1 b‐1 p) and acetylinic spiroisatins (1 q‐1 s). All the synthesized motifs were thoroughly characterized and then evaluated for their antimicrobial activities followed by cytotoxic appraisal of the more potent compounds in Hek293 and HeLa human cancer cell lines. Computer aided drug design filtered the compounds considered unsuitable for screening purposes. Acetylinic isatin 1 e was the most potent antibacterial scaffold with IC50 ≈ 1.95 μM against E. coli while 1 n with bis‐isatin assembly was the lead compound against C. albicans with IC50 ≈ 15.67 μM. SAR allowed to have a thorough anticipation of the substituent effect on the observed bioactivities of the compounds. Further, docking studies of the selected scaffolds on admissible bacterial and fungal proteins elicited isatin 1 a to exhibit highest ligand efficiency. Molecular interactions disclosed that 3’N substituted isatin derivatives may be considered ==as efficient candidates to curb bacterial and fungal diseases.
Mapping the knowledge structure exhibited by a cohort of students based on their understanding of how a galvanic cell produces energy
Authors: Loh Adrian Sin Loy , Subramaniam R. 
Published: February 2018

AbstractThis study evaluates the use of an open‐ended question to determine students' knowledge structure on the topic of galvanic cells. The open‐ended question was developed and administered to 163 Grade 10 students who had earlier completed a course on electrochemistry. Students' responses were marked as well as coded on the basis of the fields identified from their responses. This was then evaluated statistically to determine the collective knowledge structure of the sample of students. The knowledge structure thus mapped contains both canonical concepts and alternative conceptions (ACs). An important finding emerging from this study is that instructors need to focus student's attention on the dynamic processes involving electrons and ions during the operation of galvanic cells. In order for students to fully understand how a galvanic cell operates, they need to see the whole picture. There are three critical components that lead to students' understanding of how an oxidation–reduction reaction can generate energy and how a circuit is complete: transfer of electrons during oxidation–reduction half‐reactions, flow of electrons within metals, and migration of ions in solution. Also, we found that it is possible for students to use correct chemistry concepts in an incorrect way by establishing linkages among these in an inappropriate manner. We reiterate that apart from evaluating students' ACs, it is also important to evaluate the links between the concepts and conceptions present in students' knowledge structure so that teaching can be made more effective.
Focussed Ion Beam
Authors: Petersen Jan 
Published: February 2018

SummaryFocussed Ion Beam ‐“Cutting Edge” Technology of Material AnalysisWith the focussed ion beam technique it is possible to sputter almost any material with nanometer scale accuracy and directly image or chemically analyze structures below the surface. The major advantage towards conventional cross‐section polishing is the high precision which allows to investigate even the smallest local defects. Applications of the focused ion beam even extend to the generation of complex nano structures. This article describes the operational modes, limits and constraints of the method and gives application examples from the field of material analytics.
Hyperriesig leitende nanogranulare Materialen
Authors: Koops Hans W. P. 
Published: February 2018

SummaryHypergiant conductance of nanogranular materials ‐ Ampacity in the GA/cm2 range by boson current transport at room temperatureUsing focused electron beam induced processing a new class of hypergiant conducting materials has been discovered. The production is possible with slow step focused electron beam deposition using organometallic compounds. Applications are in electronics and IR radiation harvesting.
Practical and theoretical aspects of mixture‐of‐experts modeling: An overview
Authors: Nguyen Hien D. , Chamroukhi Faicel 
Published: February 2018

Mixture‐of‐experts (MoE) models are a powerful paradigm for modeling data arising from complex data generating processes (DGPs). In this article, we demonstrate how different MoE models can be constructed to approximate the underlying DGPs of arbitrary types of data. Due to the probabilistic nature of MoE models, we propose the maximum quasi‐likelihood (MQL) approach as a method for estimating MoE model parameters from data, and we provide conditions under which MQL estimators are consistent and asymptotically normal. The blockwise minorization–maximization (blockwise‐MM) algorithm framework is proposed as an all‐purpose method for constructing algorithms for obtaining MQL estimators. An example derivation of a blockwise‐MM algorithm is provided. We then present a method for constructing information criteria for estimating the number of components in MoE models and provide justification for the classic Bayesian information criterion (BIC). We explain how MoE models can be used to conduct classification, clustering, and regression and illustrate these applications via two worked examples.This article is categorized under:Algorithmic Development > StatisticsTechnologies > Structure Discovery and Clustering
3-Piece Inflatable Penile Prosthesis Placement Following Radical Cystoprostatectomy and Urinary Diversion: Technique and Outcomes
Authors: Loh-Doyle Jeffrey , Patil Mukul B. , Sawkar Hari , Wayne Kevin , Boyd Stuart D. 
Published: February 2018

Abstract

Background
After radical cystoprostatectomy (RC), postoperative erectile dysfunction (ED) is a common consequence with multiple contributing etiologies. The inflatable penile prosthesis (IPP) offers patients a definitive treatment option when ED is refractory to medical therapies. Because of the hostile postoperative anatomy of these patients, a careful surgical approach is necessary for successful outcomes and to avoid adjacent organ injury. To date, there is no series describing the outcomes of 3-piece IPP placement in patients with urinary diversions.

Aim
To present contemporary outcomes and a description of our technique in placing a 3-piece IPP for postoperative ED in patients with a history of RC with orthotopic neobladder, ileal conduit, or continent cutaneous diversion.

Methods
We retrospectively reviewed 80 patients who underwent primary placement of a 3-piece IPP (AMS 700; American Medical Systems Inc, Minnetonka, MN, USA) after RC and urinary diversion from 2003 through 2016. 79 patients underwent RC in their treatment of urologic malignancy (71 for bladder cancer, 8 for prostate cancer) and 1 underwent RC for refractory interstitial cystitis. An infrapubic approach was used in most patients, with reservoir placement in the lateral retroperitoneal space through a counterincision medial to the anterior superior iliac spine. Patient demographics, perioperative data, and postoperative outcomes including prosthetic infection and mechanical failure were examined and statistical analysis was performed.

Outcomes
Rates of device infection, revision surgery, and reservoir complications.

Results
After mean follow-up of 53.9 months (6.5–150.7 months), 4 patients developed infection of the prosthesis that required explantation. 3 of those patients underwent successful IPP reimplantation. 5 patients required revision surgery (pump replacement, n = 3; pump relocation, n = 1; cylinder replacement for cylinder aneurysm, n = 1) for mechanical failure. No statistically significant associations were found between infection and comorbidities, urinary diversion, exposure to chemotherapy, radiation, or presence of an artificial urinary sphincter.

Clinical Implications
The 3-piece IPP is an effective treatment option for medication-refractory ED that can be placed safely in patients with all forms of urinary diversion.

Strengths and Limitations
This study represents the 1st series that describes a successful technique and long-term outcomes of patients with urinary diversion. It is limited by its single-surgeon, single-center experience and lacks validated patient satisfaction data in follow-up.

Conclusions
The 3-piece IPP, with reservoir placement in the lateral retroperitoneum, can be implanted successfully in patients with all forms of urinary diversion without a significant increase in infectious complications, reservoir erosion, or mechanical failure.
Ruptura parcial do tríceps distal em um atleta: Relato de caso e descrição de técnica cirúrgica
Authors: Figueiredo Eduardo Antônio , Lara Paulo Henrique Schmidt , Patriota Gyoguevara , Roncetti Júnior Ronaldo , Belangero Paulo Santoro , Ejnisman Benno 
Published: February 2018

ResumoA ruptura do tendão do tríceps braquial corresponde a menos de 1% de todas as rupturas tendíneas nos membros superiores. As rupturas parciais são subdiagnosticadas, o que pode fazer com que uma ruptura parcial se torne total. As rupturas completas geralmente requerem tratamento cirúrgico; entretanto, para rupturas parciais não há uma conduta bem definida. Este artigo apresenta o caso de um atleta de jiu-jitsu, do sexo masculino, de 42 anos, com ruptura parcial do tríceps braquial submetido a tratamento cirúrgico devido à persistência de perda de força de extensão do cotovelo, mesmo após tratamento conservador. Foi feito o reparo com enxerto do tendão do músculo palmar longo com técnica desenvolvida pelos autores. Não foram observadas complicações e o paciente apresentou resultado satisfatório, comprovado pela melhoria nos parâmetros dos estudos isocinéticos, os quais foram aferidos antes da cirurgia e com 5 meses de pós-operatório. Essa técnica demonstrou ser uma opção para casos de ruptura parcial do tríceps braquial em pacientes com alta demanda física que não apresentaram melhoria com o tratamento conservador.
The Outer Limits of the Continental Shelf Under Customary International Law
Authors: Baumert Kevin A. 
Published: February 2018

Abstract“Seldom has an apparent major change in international law been accomplished by peaceful means more rapidly and amidst more general acquiescence and approval,” Lauterpacht observed of continental shelf claims nearly seventy years ago. When considered today, this observation merits a caveat, as the question of how far the continental shelf extends into the sea is not yet fully settled. This article explores the customary international law applicable for determining continental shelf limits and also examines the legal procedures used by states to gain international acceptance of those limits.
STRICT COHERENCE ON MANY-VALUED EVENTS
Authors: FLAMINIO TOMMASO , HOSNI HYKEL , MONTAGNA FRANCO 
Published: February 2018

AbstractWe investigate the property of strict coherence in the setting of many-valued logics. Our main results read as follows: (i) a map from an MV-algebra to [0,1] is strictly coherent if and only if it satisfies Carnap’s regularity condition, and (ii) a [0,1]-valued book on a finite set of many-valued events is strictly coherent if and only if it extends to a faithful state of an MV-algebra that contains them. Remarkably this latter result allows us to relax the rather demanding conditions for the Shimony-Kemeny characterisation of strict coherence put forward in the mid 1950s in this Journal.
Teleomorph-Anamorph Relationships in Umbilicaria II. Patterns in Propagative Morph Production
Authors: Hestmark Geir 
Published: February 2018

AbstractFrequencies of anamorph and teleomorph production in 18 species of Umbilicaria were calculated from field samples and herbarium collections. In one group of species teleomorph production (with sexually generated ascospores) is almost entirely suppressed and compensated for by an abundant production ofanamorphs (asexual thalloconidia). A second group of species exhibits a continuum from exclusively anamorphic through ana-teleomorphic to exclusively teleomorphic individuals. In this group there are distinct biogeographic patterns in the distribution of the teleomorphic individuals. A third group consists of pairs of apparently closely related taxa where one taxon is richly anamorphic and rarely produces teleomorphs, whereas the other taxon is richly and exclusively teleomorphic; this can be referred to as a phylogenetic teleomorph-anamorph relationship. The members of these taxon pairs commonly have different geographical distributions.
Education, Knowledge and Freedom
Authors: Hinchliffe Geoffrey 
Published: February 2018

AbstractThis paper examines the role of knowledge in education. It proposes that the arguments of Paul Hirst on liberal education can be updated using the idea of a ‘space of reasons’ drawn from the epistemology associated with John McDowell. It further argues that for education to flourish within the space of reasons the idea of ‘epistemic freedom’ needs to be both recognised and developed. Such freedom is particularly exemplified in the ability to form judgements. It is noted that education at all levels has been subjected to processes of ‘rationalisation’, processes identified by Max Weber over one hundred years ago: these processes severely restrict epistemic freedom. However, the paper argues that Alistair McIntyre's concept of a practice can be used to inform our thinking about subject disciplines. The pursuit of knowledge can therefore be seen in terms of practices which operate within the space of reasons. Moreover, we can see the idea of a practice as a counterweight to rationalisation
A haplotype of the dopamine transporter gene modulates regional homogeneity, gray matter volume, and visual memory in children with attention-deficit/hyperactivity disorder
Authors: Shang C. Y. , Lin H. Y. , Tseng W. Y. , Gau S. S. 
Published: February 2018

AbstractBackgroundThe dopamine transporter gene (DAT1) and visual memory deficits have been consistently reported to be associated with attention-deficit/hyperactivity disorder (ADHD). This study aimed to examine whether a DAT1 haplotype affected functional and structural brain alterations in children with ADHD and whether those alterations were associated with visual memory.MethodWe recruited a total of 37 drug-naïve children with ADHD (17 with the DAT1 rs27048 (C)/rs429699 (T) haplotype and 20 without the CT haplotype) and 37 typically developing children (17 with the CT haplotype and 20 without the CT haplotype). Visual memory was assessed by the pattern recognition memory (PRM) and spatial recognition memory (SRM) tasks. We analyzed functional and structural brain architecture with regional homogeneity (ReHo) and gray matter volume (GMV).ResultsThe CT haplotype was associated with decreased ReHo in the left superior occipital gyrus, cuneus, and precuneus; and decreased GMV in the left superior occipital gyrus, cuneus, and precuneus, and in the right angular gyrus. Significant interactions of ADHD and the CT haplotype were found in the right postcentral gyrus for ReHo and in the right supplementary motor area for GMV. For the ADHD-CT group, we found negative correlations of total correct responses in PRM and SRM and positive correlations of mean latency of correct responses in PRM with the GMV in the left superior occipital gyrus, cuneus, and precuneus.ConclusionsOur findings suggest that the DAT1-related GMV alterations in the posterior cortical regions may contribute to visual memory performance in children with ADHD.