gebhart/patrepeval huggingface dataset:
Guidelines for Choosing a Good Research Topic in Education (2020)

Research plays prominent roles in the lives of individuals, organizations, or society in general. Every now and then, research breaks new grounds which help to bring about development and progress in every field of human endeavor. Effective research activities and efforts begin with choosing good research topics. This paper addresses the guidelines that will make for choosing good topics in education. The meaning, characteristic, types of research, the research process and ethical issues in research were also considered. The paper posited that identifying a problem, understanding the magnitude and dimension of the problem, feasibility, acceptability, etc. should be considered in choosing research topics.
Analyses of surface and core atoms in a platinum nanoparticle (2003)

Molecular dynamics simulations of a platinum nanocluster consisting 250 atoms were performed at different temperatures between 70 K and 298 K. The semi-empirical, many-body Sutton–Chen (SC) potential was used to model the interatomic interaction in the metallic system. Regions of core or bulk-like atoms and surface atoms can be defined from analyses of structures, atomic coordination, and the local density function of atoms as defined in the SC potential. The core atoms in the nanoparticle behave as bulk-like metal atoms with a predominant face centered cubic (fcc) packing. The interface between surface atoms and core atoms is marked by a peak in the local density function and corresponds to near surface atoms. The near surface atoms and surface atoms prefer a hexagonal closed packing (hcp). The temperature and size effects on structures of the nanoparticle and the dynamics of the surface region and the core region are discussed.
The Development of Aptamer-Coupled Microelectrode Fiber Sensors (apta-μFS) for Highly Selective Neurochemical Sensing (2023)

The selective and sensitive sensing of neurochemicals is essential to decipher in-brain chemistry underlying brain pathophysiology. The recent development of flexible and multifunctional polymer-based fibers has been shown useful in recording and modulating neural activities, primarily electrical ones. In this study, we were able to realize fiber-based neurochemical sensing with high sensitivity and selectivity. We achieved a generalizable method to couple aptamers, a type of synthetic receptors on the carbon composites within fibers, as microsensors for highly selective neurochemical detection. Such an aptamer-coupled microelectrode fiber sensor (apta-μFS) enables simple, label-free, and sensitive dopamine (DA) detection down to 5 nM with ultrahigh specificity across major interferents. We succeeded in monitoring DA selectively within the living brain using our apta-μFS. We further showed the proof-of-concept of using microelectronic fiber-based toolsets to target neural pathways across electrical and chemical modalities. In summary, such fiber-based toolsets hold great potential to advance multimodal mechanistic understanding of brain pathophysiology.
A Combined NMR, DFT, and X-ray Investigation of Some Cinchona Alkaloid O-Ethers (2008)

Structures and conformational behavior of several cinchona alkaloid O-ethers in the solid state (X-ray), in solution (NMR and DFT), and in the gas phase (DFT) were investigated. In the crystal, O-phenylcinchonidine adopts the Open(3) conformation similar to cinchonidine, whereas the O-methyl ether derivatives of both cinchonidine and cinchonine are packed in the Closed(1) conformation. Dynamic equilibria in solutions of the alkaloids were revealed by combined experimental-theoretical spin simulation/iteration techniques for the first time. In the (1)H NMR spectra in CDCl3 and toluene-d8 at room temperature, Closed(1) conformation was observed for the O-silyl ethers as a separate set of signals. For O-methyl ether derivatives Closed(1) could be separated only at -30 degrees C in CDCl3 or toluene-d8 and for O-phenylcinchonidine at -70 degrees C in CDCl3/CD2Cl2. The ratio between the Closed(2) and Open(3) conformers was estimated by analyzing the vicinal coupling constant (3)J(H9,H8) at ambient and low temperatures. The observed conformational equilibria of O-(tert-butyldimethylsilyl)cinchonidine in CDCl 3 and toluene-d8 are in good agreement with the theoretically estimated equilibrium populations of the conformations according to Boltzmann statistics. The conformational equilibria of four cinchona alkaloid O-ether solutes in CDCl3 and toluene-d8 are discussed in the light of their relevance to the mechanism of 1-phenyl-1,2-propanedione (PPD) hydrogenation over cinchona alkaloid modified heterogeneous platinum catalysts. It was demonstrated that the conformation found to be abundant in the liquid phase has no direct correlation with the enantioselectivity of the PPD hydrogenation reaction.
Volumetric analysis of regional left ventricular function with real-time three-dimensional echocardiography: validation by magnetic resonance and clinical utility testing (2006)

Analysis of RT3DE data provides accurate quantification of regional left ventricular function and allows semiautomated detection of RWM abnormalities, which is as accurate as the same algorithm applied to CMR images.
A fast algorithm for optimal buffer insertion (2005)

The classic buffer insertion algorithm of van Ginneken has time and space complexity O(n/sup 2/), where n is the number of possible buffer positions. For more than a decade, van Ginneken's algorithm has been the foundation of buffer insertion. In this paper, we present a new algorithm that computes the same optimal buffer insertion, but runs much faster. For 2-pin nets, our time complexity is O(nlogn) and space complexity is O(n). For multipin nets, our time complexity is O(nlog/sup 2/n) and space complexity is O(nlogn). The speedup is achieved by four novel techniques: predictive pruning, candidate tree, fast redundancy check, and fast merging. On industrial test cases, the new algorithms is 2-80 times faster than van Ginneken's algorithm and uses 1/4-1/500 of the memory. Since van Ginneken's algorithm and its variations are used by most existing algorithms on buffer insertion and buffer sizing, our new algorithm significantly improves the performance of all these algorithms. The predictive pruning technique has been applied to buffer cost minimization (Shi et al., 2004), and significantly improved the running time.
Successful Application of a "Forgotten" Phosphine in Asymmetric Catalysis: A 9-Phosphabicyclo[3.3.1]non-9-yl Ferrocene Derivative as Chiral Ligand (1995)

The technical mixture phobane”, containing the two isomers 9-phospha-9H-bicyclo[3.3.1]-nonane (3a) and 9-phospha-9H-bicyclo[4.2.1]nonane (3b) in a ~2:1 ratio was reacted with N,N-dimethyl-(S)-l-[(R)-2-(diphenylphosphino)ferrocenyl]ethylamine (4) in acetic acid. The clean amine substitution product is the new chiral biphosphine 5. When only 2 equiv of 3 were reacted with 4, a 4:1 mixture of the two isomeric products 5a and 5b were obtained. However, the use of a 10-fold excess of 3 afforded the pure [3.3.1]-isomer 5a, 9-phospha-9-[(S)-l-{(R)-2-(diphenylphosphino)ferrocenyl}ethyl][3.3.1]bicyclononane, in 68% isolated yield. (S)-(R)-5a crystallizes in the orthorhombic space group P212121, Z = 4, α = 7.393(3) Å, b = 19.261(5) Å, and c = 19.546(8) Å. 5a was used in the asymmetric Pd-catalyzed alkylation of l,3-diphenyl-3-acetoxypropene with dimethyl malonate. Enantioselectivities up to 85% ee were obtained. The cationic Pd—allyl complexes [Pd(η3-C3H5)(5a)]O3SCF3(6) and [Pd(η3-PhCHCHCHPh)(5a)]O3SCF3 (7) were prepared and characterized by X-ray diffraction. Complex 6 crystallizes in the monoclinic space group P21, Z = 2, α = 9.162(4) Å, b = 16.069-(5) Å, c = 11.816(5) Å, and β = 96.86(3)°. Crystalline 7 was obtained as a CH2Cl2 monosolvate and belongs to the triclinic system: space group P1, Z = 1, a = 11.07(2) Å, b = 11.216(14) Å, c = 11.888(16) Å, a = 62.37(9)°, β = 65.96(11)°, and γ = 70.29(11)°. The ligand assumes very different conformations in its complexes, as compared to the free state. Multidimensional 31P, 13C, and 1H NMR studies reveal that 7 exists in solution as a mixture of four isomers. Aspects of the selective equilibria were elucidated using 31P- and 1H-exchange spectroscopy.
Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes) (2015)

The higher the chemical diversity and structural complexity of two-dimensional (2D) materials, the higher the likelihood they possess unique and useful properties. Herein, density functional theory (DFT) is used to predict the existence of two new families of 2D ordered, carbides (MXenes), M'2M″C2 and M'2M″2C3, where M' and M″ are two different early transition metals. In these solids, M' layers sandwich M″ carbide layers. By synthesizing Mo2TiC2Tx, Mo2Ti2C3Tx, and Cr2TiC2Tx (where T is a surface termination), we validated the DFT predictions. Since the Mo and Cr atoms are on the outside, they control the 2D flakes' chemical and electrochemical properties. The latter was proven by showing quite different electrochemical behavior of Mo2TiC2Tx and Ti3C2Tx. This work further expands the family of 2D materials, offering additional choices of structures, chemistries, and ultimately useful properties.
A graphical, extensible integrated environment for software development (1987)

Analysis and design are the essential first phases in most software development projects, yet most automated support environments are aimed at the programming phase. This paper describes a workstation-based environment that provides an integrated ensemble of graphical tools for analysis and design coupled to a project database, along with mechanisms for producing declarations, code skeletons, and executable programs. The environment is built on an “open architecture,” in which interfaces to the tools and their associated files are visible and accessible. The open architecture supports customization and extensibility of the tool environment, so that it can be effectively linked with traditional programming tools.
Open-Label Randomized Multicenter Selection Study of Once Daily Antiretroviral Treatment Regimen Comparing Ritonavir-Boosted Atazanavir to Efavirenz with Fixed-Dose Abacavir and Lamivudine (2011)

There was no significant difference in the efficacy of efavirenz and ritonavir-boosted atazanavir combined with lamivudine plus abacavir at 48 weeks. The evaluation of safety was extended to 96 weeks, which also showed no significant difference in both arms.
Improving lateral and vertical resolution of seismic images by correcting for wavelet stretch in common-angle migration (2007)

Abstract Long-offset or high-incident-angle seismic reflections provide us with improved velocity resolution, better leverage against multiples, less contamination by ground roll, and information that is often critical when estimating lithology and fluid product. Unfortunately, high-incident-angle seismic reflections suffer not only from nonhyperbolic moveout but also from wavelet stretch during imaging, resulting in lower-resolution images that mix the response from adjacent lithologies. For an arbitrary acoustic medium, wavelet stretch from prestack migration depends only on the cosine of the reflection angle, such that the amount of wavelet stretch will be the same for all samples of a common-reflection-angle migrated trace. Thus, we are able to implement a wavelet stretch correction by applying a simple stationary spectral shaping operation to common-angle migrated traces. We obtain such traces directly by a prestack Kirchhoff migration algorithm. Correcting for stretch effectively increases the fold of imaged data, far beyond that achieved in conventional migration, resulting in improved signal-to-noise ratio of the final stacked section. Increasing the fidelity of large incident angles results in images with improved vertical and lateral resolution and with increased angular illumination, valuable for amplitude variation with angle (AVA) and amplitude variation with offset (AVO) analysis. Finally, such large-angle images are more sensitive to and therefore provide increased leverage over errors in velocity and velocity anisotropy. These ideas were applied to prestack time migration on seismic data from the Fort Worth basin, in Texas.
DiANNA: a web server for disulfide connectivity prediction (2005)

Correctly predicting the disulfide bond topology in a protein is of crucial importance for the understanding of protein function and can be of great help for tertiary prediction methods. The web server http://clavius.bc.edu/~clotelab/DiANNA/ outputs the disulfide connectivity prediction given input of a protein sequence. The following procedure is performed. First, PSIPRED is run to predict the protein's secondary structure, then PSIBLAST is run against the non-redundant SwissProt to obtain a multiple alignment of the input sequence. The predicted secondary structure and the profile arising from this alignment are used in the training phase of our neural network. Next, cysteine oxidation state is predicted, then each pair of cysteines in the protein sequence is assigned a likelihood of forming a disulfide bond--this is performed by means of a novel architecture (diresidue neural network). Finally, Rothberg's implementation of Gabow's maximum weighted matching algorithm is applied to diresidue neural network scores in order to produce the final connectivity prediction. Our novel neural network-based approach achieves results that are comparable and in some cases better than the current state-of-the-art methods.
Computing Spatial Qualities For Architecture (2008)

Computational representation of spatial qualities can lead us to a better understanding of how we construct spatial concepts. Analyses of spatial qualities can support architects in reasoning about the form of a configuration, helping them predict the consequences of a design. Â¶ In this paper we present three definitions (enclosure, viewfield, continuity) that describe experiential qualities of architectural spaces. Our project aims to provide computable definitions to these qualities to describe common spatial experiences that are implicitly understood by architects. The description, using familiar terms, reveals the analytical structure of spatial qualities that is based on the geometry of the physical elements. ; We therefore introduce a graphic editor, Descriptor, that provides visualization of spatial qualities as the designer diagrams building elements. The system calculates perceived relationships (surrounded, visible, nearby, nearest) between a viewpoint and the architectural elements based on their geometric properties such as location and distance. The relationships are the components of the three qualities we define. We also present a use scenario to demonstrate how one might use our Descriptor system during early design. Â¶ Descriptor is an attempt to formalize descriptions of the spatial qualities to help beginners understand how to make design decisions. In the future, we plan to extend the set of qualities and add detailed attributes of the physical elements to the system.
Functional characterization of PhoPR two component system and its implication in regulating phosphate homeostasis in Bacillus anthracis General subjects (2017)

Recent report on importance of phosphate starvation (PS) in Bacillus anthracis (BA) pathogenesis warrants further investigation of the underlying regulatory mechanism. Potential role of PhoPR two component system (TCS) in phosphate homeostasis and virulence of several pathogens necessitates the study of annotated PhoPR in BA.Expression of phoP and phoR was analyzed using qRT-PCR. PhoPR was characterized biochemically. DNA-protein interaction was analyzed by EMSA. Docking was done to predict PhoPR interacting residues with further validation by mutational studies. pHCMC05 was used to overexpress PhoP in BA.In silico analysis revealed Bas4483-4484, as putative PhoR–PhoP. Their expression was decreased with increasing phosphate concentration reflecting some role in PS. Both PhoP (response regulator) and PhoR (histidine kinase) showed characteristic property of TCS i.e., autophosphorylation and phosphotransfer. PhoR showed both kinase and phosphatase activity. PhoP bound with promoter of PS marker genes. In silico and in vitro analysis revealed role of PhoRH370 and PhoPD10, PhoPD53, PhoPM55 in PhoPR interaction. Challenge studies showed decreased survival of mice infected with BApHCMC05-PhoP.This study affirms that PhoPR forms functional TCS which is upregulated under PS. PhoP binding with promoter of PS marker genes indicates its possible role in regulating PS response. Low survival of mice infected with BApHCMC05-PhoP suggests its role in BA virulence.Considering the significance of PS in BA infection, possible role of PhoPR in its regulation and exclusive presence of TCS in prokaryotes, PhoP can be proposed as potential drug target against anthrax.
In Situ Grafting Hydrophilic Polymeric Layer for Stable Drag Reduction (2019)

Developing drag reduction techniques has attracted great attention because of their need in practical applications. However, many of the proposed strategies exhibit some inevitable limitations, especially for long period of adhibition. In this work, the dynamic but stable drag reduction effect of superhydrophilic hydrogel-coated iron sphere falling freely in a cylindrical water tank was investigated. The absolute instantaneous velocities and displacements of either the hydrogel-encapsulated or unmodified iron sphere falling freely in water were monitored via a high-speed video. It was revealed that, in the range of Reynolds number from 10<sup>4</sup> to 10<sup>6</sup>, the optimized hydrogel-coated iron sphere with uniform stability could reduce the resistance by up to 40%, which was mainly due to the boundary slip of water and the delayed boundary separation that resulted from the coated hydrogel. Besides, the deliberate experiments and analysis further indicated that the superhydrophilic hydrogel layer accompanied by the emergence of the drag crisis has largely effected the distribution of flow field at the boundary around the sphere. More importantly, the drag reduction behavior based on the proposed method was thermodynamically stable and resistant to external stimulus, including fluidic oscillator and hydrodynamic pressure. The effective long-term drag reduction performance of the hydrophilic substrate can be expected, correspondingly, and also provides a novel preliminary protocol and avenues for the development of durable drag reduction technologies.
The experiences of physical rehabilitation in individuals with spinal cord injuries: a qualitative thematic synthesis (2018)

This qualitative thematic synthesis provides key insights into the experiences of individuals with spinal cord injuries who received physical rehabilitation. Recommendations for practice, based on the findings, include creating a diverse, encouraging, and educational physical rehabilitation experience with supportive staff who focus on communication and person-centred care. Implications for Rehabilitation Physical rehabilitation provides psychological as well as physical benefits to people with spinal cord injuries, including motivation, hope, improved self-confidence, and acceptance. Challenges identified during physical rehabilitation for people with spinal cord injuries, such as comparisons, negative emotions, recovery expectations, and slow progress, should be addressed by healthcare professionals to ensure person-centred care. People with spinal cord injuries identified a need for support from health care professionals, family, and friends, as well other people with spinal cord injuries. There is an issue of control in physical rehabilitation for people with spinal cord injuries, which can result in a fight with oneself or with healthcare professionals to regain the control that has been lost.
An algorithm for Parkinson’s disease speech classification based on isolated words analysis (2021)

The promising performance yielded by our model confirms the feasibility of automatic assessment of PD using voice recordings. Moreover, a post-hoc analysis of the most relevant features discloses the option of voice processing using a simple smartphone application.
Calcium signals recorded from two new purpurate indicators inside frog cut twitch fibers. (1989)

Two new Ca indicators, purpurate-3,3'diacetic acid (PDAA) and 1,1'-dimethylpurpurate-3,3'diacetic acid (DMPDAA), were synthesized and used to measure Ca transients in frog cut muscle fibers. These indicators are analogues of the purpurate components of murexide and tetramethylmurexide, in which two acetate groups have been incorporated into each molecule to render it membrane impermeant. The apparent dissociation constant for Ca is 0.95 mM for PDAA and 0.78 mM for DMPDAA. One of the indicators was introduced into a cut fiber, which was mounted in a double Vaseline-gap chamber, by diffusion from the end-pool solutions. The time course of indicator concentration, monitored optically in the middle of the fiber in the central-pool region, suggests that 19% of the PDAA or 27% of the DMPDAA became bound or sequestered inside the fiber. In resting fibers, the absorbance spectrum of either indicator was well fitted by the indicator's [Ca] = 0 mM cuvette absorbance spectrum, which is consistent with the idea that PDAA and DMPDAA do not enter the sarcoplasmic reticulum as tetramethylmurexide appears to be able to do (Maylie, J., M. Irving, N.L. Sizto, G. Boyarsky, and W. K. Chandler, 1987. Journal of General Physiology. 89:145-176). After an action potential, the absorbance of either indicator underwent a rapid and transient change that returned to the prestimulus baseline within 100-200 ms. The amplitude of this change had a wavelength dependence that matched the indicator's Ca-difference spectrum. The average amplitude of peak free [Ca] was 21 microM (PDAA or DMPDAA) if all the indicator inside a fiber was able to react with Ca as in cuvette calibrations, and was 26 (PDAA) or 28 microM (DMPDAA) if only freely diffusible indicator could so react. These results suggest that PDAA and DMPDAA are the first Ca indicators that provide a reliable estimate of both the amplitude and time course of (the spatial average of) free [Ca] in a twitch muscle fiber after an action potential.
Reconfigurable Number Theoretic Transform architectures for cryptographic applications (2010)

As an important component of Spectral Modular Arithmetic (SMA) cryptographic co-processor, the efficient architectures of Number Theoretic Transforms (NTTs) on FPGA are discussed in this paper. We analyze characteristics of the NTTs for cryptographic applications, compare different arithmetic approaches, introduce an optimized solution for FPGA implementation, and developed several different architectures. Qualitative and quantitative analyses are provided to show the effectiveness of our proposed architectures.
A compressed sensing based approach on Discrete Algebraic Reconstruction Technique (2015)

Discrete tomography (DT) techniques are capable of computing better results, even using less number of projections than the continuous tomography techniques. Discrete Algebraic Reconstruction Technique (DART) is an iterative reconstruction method proposed to achieve this goal by exploiting a prior knowledge on the gray levels and assuming that the scanned object is composed from a few different densities. In this paper, DART method is combined with an initial total variation minimization (TvMin) phase to ensure a better initial guess and extended with a segmentation procedure in which the threshold values are estimated from a finite set of candidates to minimize both the projection error and the total variation (TV) simultaneously. The accuracy and the robustness of the algorithm is compared with the original DART by the simulation experiments which are done under (1) limited number of projections, (2) limited view problem and (3) noisy projections conditions.