gebhart/patrepeval huggingface dataset:
Surface cleaning: quantitative study of gel residue on cleaned paint surfaces (2000)

AbstractA collaborative research project was designed and carried out by a team of scientists and conservators to answer questions related to the amounts of gel residue left on cleaned and cleared painted surfaces and its potential effect on the surfaces. The quantitative amounts of residue and the individual components of the cleaning gels were measured using 3H and 14C radioactively-labelled gel components. To address the subjectivity of the cleaning process, an international group of conservators and scientists participated in gel cleaning experiments using the radioactively-labelled gels. The results of these experiments and the scientific investigation of cleaned surfaces show that the total average amount of gel residue on the surface of the test paintings was 92μg.cm−2and the amounts varied between 24 and I 69μg.cm−2depending on the cleaning and clearing procedure and on the personal touch of the individual conservator. The gel residue is composed mainly of low volatility components of the initial formulation.
Lignocellulose Feedstock Biorefinery Based on Alkaline Polyol Pulping (2013)

Abstract Um Lignocellulose als nachwachsende Rohstoffquelle für die chemische Industrie zu erschließen, müssen nachhaltige Aufschlussverfahren entwickelt werden. Es wird ein neuartiger Prozess vorgestellt, mit dem nicht nur einjährige Faserpflanzen oder Laubholz, sondern auch widerstandsfähigeres Nadelholz effektiv fraktioniert werden können. Der erhaltene hochreine Zellstoff ist frei von inhibierenden Abbauprodukten und lässt sich nahezu vollständig enzymatisch hydrolysieren.
Numerical evaluation of a single ellipsoid motion in Newtonian and power-law fluids (2018)

A computational model is developed for simulating the motion of a single ellipsoid suspended in a Newtonian and power-law fluid, respectively. Based on a finite element method (FEM), the approach consists in seeking solutions for the linear and angular particle velocities using a minimization algorithm, such that the net hydrodynamic force and torque acting on the ellipsoid are zero. For a Newtonian fluid subjected to a simple shear flow, the Jeffery’s predictions are recovered at any aspect ratios. The motion of a single ellipsoidal fiber is found to be slightly disturbed by the shear-thinning character of the suspending fluid, when compared with the Jeffery’s solutions. Surprisingly, the perturbation can be completely neglected for a particle with a large aspect ratio. Furthermore, the particle centroid is also found to translate with the same linear velocity as the undisturbed simple shear flow evaluated at particle centroid. This is confirmed by recent works based on experimental investigations and modeling approach (1-2).
Microstructural Characterization of Thermal Spray Coatings (2004)

Abstract This article reviews how process variations influence the characteristics of thermal spray coatings. It describes various specimen preparation techniques, which allow accurate microstructural analysis. These techniques include sectioning, cleaning, mounting, planar grinding, fine grinding, rough polishing, and etching. The article provides information on the problems associated with specimen preparation. It concludes with a discussion on the various methods of analysis for thermal spray coatings.
Test of fiber-reinforced type of Nb/sub 3/S superconducting coils (2003)

A superconducting coil using a Nb/sub 3/Sn fiber-reinforced type of wire was fabricated and tested. Each superconducting filament of the wire was reinforced by a tantalum fiber. The coil was prepared in a wind-and-react process and was completed by epoxy impregnation. The continuous length of the wire was 250 meters, and 100-meters of it were used for the coil. The quench current in liquid helium reached similar levels to the critical current of the short sample of the wire without degradation. The strain dependence on operating current was described and compared with calculations using two-dimensional analyses. As a reference, another coil using an internally reinforced wire with the similar specifications was prepared and tested.
High-affinity Binding of Basic Fibroblast Growth Factor and Platelet-derived Growth Factor-AA to the Core Protein of the NG2 Proteoglycan (1999)

NG2 is a transmembrane chondroitin sulfate proteoglycan that is expressed by immature progenitor cells in several developmental lineages and by some types of malignant cells. In vitro studies have suggested that NG2 participates in growth factor activation of the platelet-derived growth factor-alpha receptor. In this study the ability of recombinant NG2 core protein to interact with several different growth factors (epidermal growth factor (EGF), basic fibroblast growth factor (bFGF), platelet-derived growth factor (PDGF)-AA, PDGF-BB, vascular endothelial growth factor (VEGF)165 and transforming growth factor (TGF)-beta1) was investigated using two different assay systems: enzyme-linked immunosorbent assay-type solid-phase binding and an optical biosensor (BIAcore) system. High-affinity binding of bFGF and PDGF-AA to the core protein of NG2 could be demonstrated with both types of assays. Using both the BIAcore software analysis program and nonlinear regression analysis of the solid phase binding data, KD values in the low nanomolar range were obtained for binding of each of these growth factors to NG2. The results further indicate that NG2 contains at least two binding sites for each of these two growth factors. PDGF-BB, TGF-beta1, VEGF, and EGF exhibited little or no binding to NG2 in either type of assay. These data suggest that NG2 can have an important role in organizing and presenting some types of mitogenic growth factors at the cell surface.
Scaling betweenness centrality using communication-efficient sparse matrix multiplication (2016)

Betweenness centrality (BC) is a crucial graph problem that measures the significance of a vertex by the number of shortest paths leading through it. We propose Maximal Frontier Betweenness Centrality (MFBC): a succinct BC algorithm based on novel sparse matrix multiplication routines that performs a factor of $p^{1/3}$ less communication on $p$ processors than the best known alternatives, for graphs with $n$ vertices and average degree $k=n/p^{2/3}$. We formulate, implement, and prove the correctness of MFBC for weighted graphs by leveraging monoids instead of semirings, which enables a surprisingly succinct formulation. MFBC scales well for both extremely sparse and relatively dense graphs. It automatically searches a space of distributed data decompositions and sparse matrix multiplication algorithms for the most advantageous configuration. The MFBC implementation outperforms the well-known CombBLAS library by up to 8x and shows more robust performance. Our design methodology is readily extensible to other graph problems.
A cuff pressure controller for tracheal tubes and laryngeal mask airways (1999)

A simple device (U.K. Patent application no. 9907876.8) for fine adjustment of the cuff pressure of tracheal tubes and the laryngeal mask airway is described. In vitro tests confirm its efficiency. It is also a simple tool for training anaesthetic assistants in the operating theatre and nurses in the intensive care unit.
Temporal Trends in Vertebral Size and Shape from Medieval to Modern-Day (2009)

Human lumbar vertebrae support the weight of the upper body. Loads lifted and carried by the upper extremities cause significant loading stress to the vertebral bodies. It is well established that trauma-induced vertebral fractures are common especially among elderly people. The aim of this study was to investigate the morphological factors that could have affected the prevalence of trauma-related vertebral fractures from medieval times to the present day. To determine if morphological differences existed in the size and shape of the vertebral body between medieval times and the present day, the vertebral body size and shape was measured from the 4th lumbar vertebra using magnetic resonance imaging (MRI) and standard osteometric calipers. The modern samples consisted of modern Finns and the medieval samples were from archaeological collections in Sweden and Britain. The results show that the shape and size of the 4th lumbar vertebra has changed significantly from medieval times in a way that markedly affects the biomechanical characteristics of the lumbar vertebral column. These changes may have influenced the incidence of trauma- induced spinal fractures in modern populations.
Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study (2018)

SIRT6 and COX-2 are oncogenes target that promote the expression of proinflammatory and pro-survival proteins through a signaling pathway, which leads to increased survival and proliferation of tumor cells. However, COX-2 also suppresses skin tumorigenesis and their relationship with SIRT6, making it an interesting target for the discovery of drugs with anti-inflammatory and anti-cancer properties. Herein, we studied the interaction of thieno[3,2-c]pyran analogs and RONS species with SIRT6 and COX-2 through the use of molecular docking and molecular dynamic simulations. Molecular docking studies revealed the importance of hydrophobic and hydrophilic amino acid residues for the stability. The molecular dynamics study examined conformational changes in the enzymes caused by the binding of the substrates and how those changes affected the stability of the protein-drug complex. The average RMSD values of the backbone atoms in compounds 6 and 10 were calculated from 1000 ps to 10000 ps and were found to be 0.13 nm for both compounds. Similarly, the radius of gyration values for compounds 6 and 10 were found to be 1.87 ± 0.03 nm and 1.86 ± 0.02 nm, respectively. The work presented here, will be of great help in lead identification and optimization for early drug discovery.
Revealing the Solid‐State Electrolyte Interfacial Stability Model with Na–K Liquid Alloy (2022)

Abstract In this work, the Na–K liquid alloy with a charge selective interfacial layer is developed to achieve an impressively long cycling life with small overpotential on a sodium super‐ionic conductor solid‐state electrolyte (NASICON SSE). With this unique multi‐cation system as the platform, we further propose a unique model that contains a chemical decomposition domain and a kinetic decomposition domain for the interfacial stability model. Based on this model, two charge selection mechanisms are proposed with dynamic chemical kinetic equilibrium and electrochemical kinetics as the manners of control, respectively, and both are validated by the electrochemical measurements with microscopic and spectroscopic characterizations. This study provides an effective design for high‐energy‐density solid‐state battery with alkali Na–K anode, but also presents a novel approach to understand the interfacial chemical processes that could inspire and guide future designs.
Dynamic Structural and Contact Modeling for a Silicon Hexapod Microrobot (2017)

This paper examines the dynamics of a type of silicon-based millimeter-scale hexapod, focusing on interaction between structural dynamics and ground contact forces. These microrobots, having a 5 mm × 2 mm footprint, are formed from silicon with integrated thin-film lead–zirconate–titanate (PZT) and high-aspect-ratio parylene-C polymer microactuation elements. The in-chip dynamics of the microrobots are measured when actuated with tethered electrical signal to characterize the resonant behavior of different parts of the robot and its piezoelectric actuation. Out-of-chip robot motion is then stimulated by external vibration after the robot has been detached from its silicon tethers, which removes access to external power but permits sustained translation over a surface. A dynamic model for robot and ground interaction is presented to explain robot locomotion in the vibrating field using the in-chip measurements of actuator dynamics and additional dynamic properties obtained from finite element analysis (FEA) and other design information. The model accounts for the microscale interaction between the robot and ground, for multiple resonances of the robot leg, and for rigid robot body motion of the robot chassis in five degrees-of-freedom. For each mode, the motions in vertical and lateral direction are coupled. Simulation of this dynamic model with the first three resonant modes (one predominantly lateral and two predominantly vertical) of each leg shows a good match with experimental results for the motion of the robot on a vibrating surface, and allows exploration of influence of small-scale forces such as adhesion on robot locomotion. Further predictions for future autonomous microrobot performance based on the dynamic phenomena observed are discussed.
Nonlinear optical properties of complexes of π‐conjugated polymers (1994)

Abstract Novel host–guest complexes of conjugated polyimines with gallium chloride have been proposed and studied as an approach to enhance the third‐order nonlinear optical properties of the host conjugated polymers. The third‐order nonlinear optical susceptibility χ (3) (–3ω;ω,ω,ω) of two conjugated polyimines and their GaCl 3 complexes, measured by third harmonic generation spectroscopy in the wavelength range 0.9 ∼ 2.4 μm, shows that χ (3) is enhanced in the nonresonant region, whereas it is reduced in the resonant region due to complexation. These results are explained by complexation mediated modifiction of the electronic structure of the host polymers. Two theoretical models consisting of four electronic energy levels were found to give a good description of the frequency dispersion and resonances in the χ (3) (–3ω;ω,ω,ω) spectrum of the host–guest complexes. The resulting fitting parameters were used to predict the degenerate four wave mixing χ (3) (–ω;ω,–ω,ω) spectrum for the new materials. The results of the present study suggest that host–guest complexation is a promising approach for improving the third‐order nonli‐near optical properties of conjugated polymers.
Morphology-Controlled Synthesis of ZSM-5/MCM-41 Composite Zeolite (2014)

ZSM-5/MCM-41 composite zeolites were synthesized by a two-step hydrothermal crystallization procedure using binary templates of cetyltrimethylammonium bromide (CTAB) and tetrapropylammonium hydroxide (TPAOH). The effects of aluminum content on zeolite particle morphology and structure were studied. Powder X-ray diffraction (XRD) results showed that the composite zeolites are of both MCM-41 structure and zeolitic MFI structure. SEM results showed that the morphology of composite zeolites is significantly influenced by the aluminum content.
Functional and taxonomic comparison of mouse and human gut microbiotas using extensive culturing and metagenomics (2021)

Abstract Mouse models are essential for biomedical science and drug discovery, yet it is not known how the bacteria in the mouse microbiota – important determinants of phenotypes of health and disease –affect their relevance to human disease. To interrogate the taxonomic and functional differences between the human and mouse gut microbiotas, we developed the Mouse Microbial Genome Collection (MMGC), a compilation of 276 genomes from cultured isolates and 45,218 metagenome-assembled genomes (MAGs) from 1,960 publicly available mouse metagenomes. The MMGC reveals that while only 2.65% of bacterial species are shared between mouse and human, over 80% of annotatable functions are present in both microbiomes. Using drug metabolism and butyrate synthesis as examples, we illustrate that although the species harbouring these key functions can differ between hosts, the MMGC enables identification of functionally equivalent taxa in the mouse and human microbiotas. The MMGC thereby facilitates the informed use of mice in biomedical research by providing access to the conservation and taxonomic locations of bacterial functions of interest.
Monoaminergic Approaches for Treatment of Schizophrenia (2012)

Since the discovery of haloperidol in the 1950s, monoaminergic receptors have provided a number of potential targets for treatment of schizophrenia. This chapter will survey the profiles of existing dopaminergic-based antipsychotic drugs and review recent medicinal chemistry approaches that engage other monoaminergic receptors to discover novel agents for treatment of schizophrenia. In addition to single-target approaches, attempts to discover molecules that interact selectively (i.e. designed to bind) with more than a single receptor to provide effective antipsychotic agents will be reviewed. These efforts highlight attempts to address unmet needs with existing therapy, including efficacy in a broader range of patients of this complex and debilitating disease.
Single-Walled BN Nanostructures (2001)

We describe in situ synthesis and characterization of single-walled BN nanotubes terminated by fullerenelike structures using electron-cyclotron resonance nitrogen and electron beam boron sources onto polycrystalline tungsten substrates. Detailed comparisons of experimental high-resolution electron microscopy images and simulations based upon molecular models show a dominance of kinks and bends involving fourfold and eightfold ring structures as against fivefold or sevenfold which have been found with carbon. Analysis of the structures as a function of film thickness indicates that they are growing by addition of atoms to the exposed ends of single sheets, not at the substrate-nanostructure interface.
Aluminum Electrodeposition from Room Temperature Molten AlCl3-BPC Salt Bath (1993)

The characteristics of aluminum electrodeposited layer from an ambient temperature molten salt were discussed in this study. The experimental results indicated that it is possible to carry out aluminum electrodeposition on the surface of brass and stainless steel when binary AlCI3-8P C molten electrolysis were used. The morphology of the components, characteristics and images can be detected by SEM, Auger Analysis, X-ray diffraction analysis and electrochemical polarization curves. The denser and more adhesive electrodeposited aluminum layer can be achieved by chosing proper electrolyte components (AlCI3: BPC-acidic salt bath), current forms (D.C./pulse), current density, electrolytic time and other pretreatment. In addition, the current density will be rised while the smaller particle size and better adhesive of electrodeposited layer formation by pulse current instead of direct current.
THE SYNTHESIS OF SOLID SUPER ACIDS AND THE ACTIVITY FOR THE REACTIONS OF BUTANE AND ISOBUTANE (1976)

Abstract Solid super acids such as SbF5–TiO2–SiO2, SbF5–TiO2, and SbF5–SiO2–Al2O3 were synthesized, whose acid strengths were in the range of −13.16≥H0&amp;gt;−14.52. A SbF5–TiO2–SiO2 showed the highest activity for the reaction of butane at room temperature. A SbF5–TiO2 was highly selective for the skeletal isomerization of butane, where 72 % of the products was isobutane.
Urinary single-cell sequencing captures intrarenal injury and repair processes in human acute kidney injury (2022)

Abstract Acute kidney injury (AKI) is a major health issue, the outcome of which depends primarily on damage and reparative processes of tubular epithelial cells (TEC). Mechanisms underlying AKI remain incompletely understood, specific therapies are lacking and monitoring the course of AKI in clinical routine is confined to measuring urine output and plasma levels of filtration markers. Here we demonstrate feasibility and potential of a novel approach to assess the cellular and molecular dynamics of AKI by establishing a robust urine-to-single cell RNA sequencing (scRNAseq) pipeline for excreted kidney cells via flow cytometry sorting. We analyzed 42,608 single cell transcriptomes of 40 urine samples from 32 AKI patients and compared our data with reference material from human AKI post-mortem biopsies and published mouse data. We demonstrate that TEC transcriptomes mirror intrarenal pathology and reflect distinct injury and repair processes, including oxidative stress, inflammation, and tissue rearrangement. We also describe an AKI-specific abundant urinary excretion of progenitorlike cells. In conclusion, single cell transcriptomics of kidney cells excreted in urine provides non-invasive, unprecedented insight into cellular processes underlying AKI, thereby opening novel opportunities for target identification, AKI sub-categorization and monitoring of natural disease course and interventions. Graphical abstract
In vivo Characterization of Amorphous Silicon Carbide As a Biomaterial for Chronic Neural Interfaces (2016)

Implantable microelectrode arrays (MEAs) offer clinical promise for prosthetic devices by enabling restoration of communication and control of artificial limbs. While proof-of-concept recordings from MEAs have been promising, work in animal models demonstrates that the obtained signals degrade over time. Both material robustness and tissue response are acknowledged to have a role in device lifetime. Amorphous Silicon carbide (a-SiC), a robust material that is corrosion resistant, has emerged as an alternative encapsulation layer for implantable devices. We systematically examined the impact of a-SiC coating on Si probes by immunohistochemical characterization of key markers implicated in tissue-device response. After implantation, we performed device capture immunohistochemical labeling of neurons, astrocytes, and activated microglia/macrophages after 4 and 8 weeks of implantation. Neuron loss and microglia activation were similar between Si and a-SiC coated probes, while tissue implanted with a-SiC displayed a reduction in astrocytes adjacent to the probe. These results suggest that a-SiC has a similar biocompatibility profile as Si, and may be suitable for implantable MEA applications as a hermetic coating to prevent material degradation.
Mechanism of cholesterol‐assisted oligomeric channel formation by a short Alzheimer β‐amyloid peptide (2013)

Alzheimer β-amyloid (Aβ) peptides can self-organize into oligomeric ion channels with high neurotoxicity potential. Cholesterol is believed to play a key role in this process, but the molecular mechanisms linking cholesterol and amyloid channel formation have so far remained elusive. Here, we show that the short Aβ22-35 peptide, which encompasses the cholesterol-binding domain of Aβ, induces a specific increase of Ca(2+) levels in neural cells. This effect is neither observed in calcium-free medium nor in cholesterol-depleted cells, and is inhibited by zinc, a blocker of amyloid channel activity. Double mutations V24G/K28G and N27R/K28R in Aβ22-35 modify cholesterol binding and abrogate channel formation. Molecular dynamic simulations suggest that cholesterol induces a tilted α-helical topology of Aβ22-35. This facilitates the establishment of an inter-peptide hydrogen bond network involving Asn-27 and Lys-28, a key step in the octamerization of Aβ22-35 which proceeds gradually until the formation of a perfect annular channel in a phosphatidylcholine membrane. Overall, these data give mechanistic insights into the role of cholesterol in amyloid channel formation, opening up new therapeutic options for Alzheimer's disease. Aβ22-35 peptide, which encompasses the cholesterol binding domain of Aβ, induces a specific increase of Ca(2+) level in neural cells. Double mutations V24G/K28G and N27R/K28R modify cholesterol binding and abrogate channels formation. Molecular dynamic simulations suggest that cholesterol induces a tilted α-helical peptide topology facilitating the formation of annular octameric channels, as schematically shown in the graphic (with a hydrogen bond shown in green for two vicinal peptides). Overall, the data give insights into the role of cholesterol in amyloid channel formation and open up new therapeutic options for Alzheimer's disease.